Daily Papers

The recent tremendous success of unsupervised word embeddings in a multitude of applications raises the obvious question if similar methods could be derived to improve embeddings (i.e. semantic representations) of word sequences as well. We present a simple but efficient unsupervised objective to train distributed representations of sentences. Our method outperforms the state-of-the-art unsupervised models on most benchmark tasks, highlighting the robustness of the produced general-purpose sentence embeddings.

Transformer-based language models (LMs) are powerful and widely-applicable tools, but their usefulness is constrained by a finite context window and the expensive computational cost of processing long text documents. We propose to adapt pre-trained LMs into AutoCompressors. These models are capable of compressing long contexts into compact summary vectors, which are then accessible to the model as soft prompts. Summary vectors are trained with an unsupervised objective, whereby long documents are processed in segments and summary vectors from all previous segments are used in language modeling. We fine-tune OPT models on sequences of up to 30,720 tokens and show that AutoCompressors can utilize long contexts to improve perplexity. We evaluate AutoCompressors on in-context learning by compressing task demonstrations. We find that summary vectors are good substitutes for plain-text demonstrations, increasing accuracy while reducing inference cost. Finally, we explore the benefits of pre-computing summary vectors for large corpora by applying summary vectors to retrieval-augmented language modeling. Overall, AutoCompressors emerge as a simple and inexpensive solution for extending the context window of LMs while speeding up inference over long contexts.

Many current NLP systems are built from language models trained to optimize unsupervised objectives on large amounts of raw text. Under what conditions might such a procedure acquire meaning? Our systematic experiments with synthetic data reveal that, with languages where all expressions have context-independent denotations (i.e., languages with strong transparency), both autoregressive and masked language models successfully learn to emulate semantic relations between expressions. However, when denotations are changed to be context-dependent with the language otherwise unmodified, this ability degrades. Turning to natural language, our experiments with a specific phenomenon -- referential opacity -- add to the growing body of evidence that current language models do not represent natural language semantics well. We show this failure relates to the context-dependent nature of natural language form-meaning mappings.

In this work we propose for the first time a transformer-based framework for unsupervised representation learning of multivariate time series. Pre-trained models can be potentially used for downstream tasks such as regression and classification, forecasting and missing value imputation. By evaluating our models on several benchmark datasets for multivariate time series regression and classification, we show that not only does our modeling approach represent the most successful method employing unsupervised learning of multivariate time series presented to date, but also that it exceeds the current state-of-the-art performance of supervised methods; it does so even when the number of training samples is very limited, while offering computational efficiency. Finally, we demonstrate that unsupervised pre-training of our transformer models offers a substantial performance benefit over fully supervised learning, even without leveraging additional unlabeled data, i.e., by reusing the same data samples through the unsupervised objective.

Human observers can learn to recognize new categories of images from a handful of examples, yet doing so with artificial ones remains an open challenge. We hypothesize that data-efficient recognition is enabled by representations which make the variability in natural signals more predictable. We therefore revisit and improve Contrastive Predictive Coding, an unsupervised objective for learning such representations. This new implementation produces features which support state-of-the-art linear classification accuracy on the ImageNet dataset. When used as input for non-linear classification with deep neural networks, this representation allows us to use 2-5x less labels than classifiers trained directly on image pixels. Finally, this unsupervised representation substantially improves transfer learning to object detection on the PASCAL VOC dataset, surpassing fully supervised pre-trained ImageNet classifiers.

Federated semi-supervised learning (FSSL) has emerged as a powerful paradigm for collaboratively training machine learning models using distributed data with label deficiency. Advanced FSSL methods predominantly focus on training a single model on each client. However, this approach could lead to a discrepancy between the objective functions of labeled and unlabeled data, resulting in gradient conflicts. To alleviate gradient conflict, we propose a novel twin-model paradigm, called Twin-sight, designed to enhance mutual guidance by providing insights from different perspectives of labeled and unlabeled data. In particular, Twin-sight concurrently trains a supervised model with a supervised objective function while training an unsupervised model using an unsupervised objective function. To enhance the synergy between these two models, Twin-sight introduces a neighbourhood-preserving constraint, which encourages the preservation of the neighbourhood relationship among data features extracted by both models. Our comprehensive experiments on four benchmark datasets provide substantial evidence that Twin-sight can significantly outperform state-of-the-art methods across various experimental settings, demonstrating the efficacy of the proposed Twin-sight.

Pre-trained models produce strong generic representations that can be adapted via fine-tuning. The learned weight difference relative to the pre-trained model, known as a task vector, characterises the direction and stride of fine-tuning. The significance of task vectors is such that simple arithmetic operations on them can be used to combine diverse representations from different domains. This paper builds on these properties of task vectors and aims to answer (1) whether components of task vectors, particularly parameter blocks, exhibit similar characteristics, and (2) how such blocks can be used to enhance knowledge composition and transfer. To this end, we introduce aTLAS, an algorithm that linearly combines parameter blocks with different learned coefficients, resulting in anisotropic scaling at the task vector level. We show that such linear combinations explicitly exploit the low intrinsic dimensionality of pre-trained models, with only a few coefficients being the learnable parameters. Furthermore, composition of parameter blocks leverages the already learned representations, thereby reducing the dependency on large amounts of data. We demonstrate the effectiveness of our method in task arithmetic, few-shot recognition and test-time adaptation, with supervised or unsupervised objectives. In particular, we show that (1) learned anisotropic scaling allows task vectors to be more disentangled, causing less interference in composition; (2) task vector composition excels with scarce or no labeled data and is less prone to domain shift, thus leading to better generalisability; (3) mixing the most informative parameter blocks across different task vectors prior to training can reduce the memory footprint and improve the flexibility of knowledge transfer. Moreover, we show the potential of aTLAS as a PEFT method, particularly with less data, and demonstrate that its scalibility.

Unsupervised cross-lingual pretraining has achieved strong results in neural machine translation (NMT), by drastically reducing the need for large parallel data. Most approaches adapt masked-language modeling (MLM) to sequence-to-sequence architectures, by masking parts of the input and reconstructing them in the decoder. In this work, we systematically compare masking with alternative objectives that produce inputs resembling real (full) sentences, by reordering and replacing words based on their context. We pretrain models with different methods on EnglishleftrightarrowGerman, EnglishleftrightarrowNepali and EnglishleftrightarrowSinhala monolingual data, and evaluate them on NMT. In (semi-) supervised NMT, varying the pretraining objective leads to surprisingly small differences in the finetuned performance, whereas unsupervised NMT is much more sensitive to it. To understand these results, we thoroughly study the pretrained models using a series of probes and verify that they encode and use information in different ways. We conclude that finetuning on parallel data is mostly sensitive to few properties that are shared by most models, such as a strong decoder, in contrast to unsupervised NMT that also requires models with strong cross-lingual abilities.

Unsupervised pre-training strategies have proven to be highly effective in natural language processing and computer vision. Likewise, unsupervised reinforcement learning (RL) holds the promise of discovering a variety of potentially useful behaviors that can accelerate the learning of a wide array of downstream tasks. Previous unsupervised RL approaches have mainly focused on pure exploration and mutual information skill learning. However, despite the previous attempts, making unsupervised RL truly scalable still remains a major open challenge: pure exploration approaches might struggle in complex environments with large state spaces, where covering every possible transition is infeasible, and mutual information skill learning approaches might completely fail to explore the environment due to the lack of incentives. To make unsupervised RL scalable to complex, high-dimensional environments, we propose a novel unsupervised RL objective, which we call Metric-Aware Abstraction (METRA). Our main idea is, instead of directly covering the entire state space, to only cover a compact latent space Z that is metrically connected to the state space S by temporal distances. By learning to move in every direction in the latent space, METRA obtains a tractable set of diverse behaviors that approximately cover the state space, being scalable to high-dimensional environments. Through our experiments in five locomotion and manipulation environments, we demonstrate that METRA can discover a variety of useful behaviors even in complex, pixel-based environments, being the first unsupervised RL method that discovers diverse locomotion behaviors in pixel-based Quadruped and Humanoid. Our code and videos are available at https://seohong.me/projects/metra/

Multi-task learning (MTL) compresses the information from multiple tasks into a unified backbone to improve computational efficiency and generalization. Recent work directly merges multiple independently trained models to perform MTL instead of collecting their raw data for joint training, greatly expanding the application scenarios of MTL. However, by visualizing the representation distribution of existing model merging schemes, we find that the merged model often suffers from the dilemma of representation bias. That is, there is a significant discrepancy in the representation distribution between the merged and individual models, resulting in poor performance of merged MTL. In this paper, we propose a representation surgery solution called "Surgery" to reduce representation bias in the merged model. Specifically, Surgery is a lightweight task-specific module that takes the representation of the merged model as input and attempts to output the biases contained in the representation from the merged model. We then designed an unsupervised optimization objective that updates the Surgery module by minimizing the distance between the merged model's representation and the individual model's representation. Extensive experiments demonstrate significant MTL performance improvements when our Surgery module is applied to state-of-the-art (SOTA) model merging schemes.

We propose PromptBERT, a novel contrastive learning method for learning better sentence representation. We firstly analyze the drawback of current sentence embedding from original BERT and find that it is mainly due to the static token embedding bias and ineffective BERT layers. Then we propose the first prompt-based sentence embeddings method and discuss two prompt representing methods and three prompt searching methods to make BERT achieve better sentence embeddings. Moreover, we propose a novel unsupervised training objective by the technology of template denoising, which substantially shortens the performance gap between the supervised and unsupervised settings. Extensive experiments show the effectiveness of our method. Compared to SimCSE, PromptBert achieves 2.29 and 2.58 points of improvement based on BERT and RoBERTa in the unsupervised setting.

This paper presents a unified Vision-Language Pre-training (VLP) model. The model is unified in that (1) it can be fine-tuned for either vision-language generation (e.g., image captioning) or understanding (e.g., visual question answering) tasks, and (2) it uses a shared multi-layer transformer network for both encoding and decoding, which differs from many existing methods where the encoder and decoder are implemented using separate models. The unified VLP model is pre-trained on a large amount of image-text pairs using the unsupervised learning objectives of two tasks: bidirectional and sequence-to-sequence (seq2seq) masked vision-language prediction. The two tasks differ solely in what context the prediction conditions on. This is controlled by utilizing specific self-attention masks for the shared transformer network. To the best of our knowledge, VLP is the first reported model that achieves state-of-the-art results on both vision-language generation and understanding tasks, as disparate as image captioning and visual question answering, across three challenging benchmark datasets: COCO Captions, Flickr30k Captions, and VQA 2.0. The code and the pre-trained models are available at https://github.com/LuoweiZhou/VLP.

In long document controllable summarization, where labeled data is scarce, pretrained models struggle to adapt to the task and effectively respond to user queries. In this paper, we introduce Socratic pretraining, a question-driven, unsupervised pretraining objective specifically designed to improve controllability in summarization tasks. By training a model to generate and answer relevant questions in a given context, Socratic pretraining enables the model to more effectively adhere to user-provided queries and identify relevant content to be summarized. We demonstrate the effectiveness of this approach through extensive experimentation on two summarization domains, short stories and dialogue, and multiple control strategies: keywords, questions, and factoid QA pairs. Our pretraining method relies only on unlabeled documents and a question generation system and outperforms pre-finetuning approaches that use additional supervised data. Furthermore, our results show that Socratic pretraining cuts task-specific labeled data requirements in half, is more faithful to user-provided queries, and achieves state-of-the-art performance on QMSum and SQuALITY.

Existing speech-to-speech translation (S2ST) models fall into two camps: they either leverage text as an intermediate step or require hundreds of hours of parallel speech data. Both approaches are incompatible with textless languages or language pairs with limited parallel data. We present PFB, a framework for training textless S2ST models that require just dozens of hours of parallel speech data. We first pretrain a model on large-scale monolingual speech data, finetune it with a small amount of parallel speech data (20-60 hours), and lastly train with an unsupervised backtranslation objective. We train and evaluate our models for English-to-German, German-to-English and Marathi-to-English translation on three different domains (European Parliament, Common Voice, and All India Radio) with single-speaker synthesized speech. Evaluated using the ASR-BLEU metric, our models achieve reasonable performance on all three domains, with some being within 1-2 points of our higher-resourced topline.

In the online world, Machine Translation (MT) systems are extensively used to translate User-Generated Text (UGT) such as reviews, tweets, and social media posts, where the main message is often the author's positive or negative attitude towards the topic of the text. However, MT systems still lack accuracy in some low-resource languages and sometimes make critical translation errors that completely flip the sentiment polarity of the target word or phrase and hence delivers a wrong affect message. This is particularly noticeable in texts that do not follow common lexico-grammatical standards such as the dialectical Arabic (DA) used on online platforms. In this research, we aim to improve the translation of sentiment in UGT written in the dialectical versions of the Arabic language to English. Given the scarcity of gold-standard parallel data for DA-EN in the UGT domain, we introduce a semi-supervised approach that exploits both monolingual and parallel data for training an NMT system initialised by a cross-lingual language model trained with supervised and unsupervised modeling objectives. We assess the accuracy of sentiment translation by our proposed system through a numerical 'sentiment-closeness' measure as well as human evaluation. We will show that our semi-supervised MT system can significantly help with correcting sentiment errors detected in the online translation of dialectical Arabic UGT.

This paper explores feature prediction as a stand-alone objective for unsupervised learning from video and introduces V-JEPA, a collection of vision models trained solely using a feature prediction objective, without the use of pretrained image encoders, text, negative examples, reconstruction, or other sources of supervision. The models are trained on 2 million videos collected from public datasets and are evaluated on downstream image and video tasks. Our results show that learning by predicting video features leads to versatile visual representations that perform well on both motion and appearance-based tasks, without adaption of the model's parameters; e.g., using a frozen backbone. Our largest model, a ViT-H/16 trained only on videos, obtains 81.9% on Kinetics-400, 72.2% on Something-Something-v2, and 77.9% on ImageNet1K.

Mutual information maximization has emerged as a powerful learning objective for unsupervised representation learning obtaining state-of-the-art performance in applications such as object recognition, speech recognition, and reinforcement learning. However, such approaches are fundamentally limited since a tight lower bound of mutual information requires sample size exponential in the mutual information. This limits the applicability of these approaches for prediction tasks with high mutual information, such as in video understanding or reinforcement learning. In these settings, such techniques are prone to overfit, both in theory and in practice, and capture only a few of the relevant factors of variation. This leads to incomplete representations that are not optimal for downstream tasks. In this work, we empirically demonstrate that mutual information-based representation learning approaches do fail to learn complete representations on a number of designed and real-world tasks. To mitigate these problems we introduce the Wasserstein dependency measure, which learns more complete representations by using the Wasserstein distance instead of the KL divergence in the mutual information estimator. We show that a practical approximation to this theoretically motivated solution, constructed using Lipschitz constraint techniques from the GAN literature, achieves substantially improved results on tasks where incomplete representations are a major challenge.

Gaussian splatting and single/multi-view depth estimation are typically studied in isolation. In this paper, we present DepthSplat to connect Gaussian splatting and depth estimation and study their interactions. More specifically, we first contribute a robust multi-view depth model by leveraging pre-trained monocular depth features, leading to high-quality feed-forward 3D Gaussian splatting reconstructions. We also show that Gaussian splatting can serve as an unsupervised pre-training objective for learning powerful depth models from large-scale unlabelled datasets. We validate the synergy between Gaussian splatting and depth estimation through extensive ablation and cross-task transfer experiments. Our DepthSplat achieves state-of-the-art performance on ScanNet, RealEstate10K and DL3DV datasets in terms of both depth estimation and novel view synthesis, demonstrating the mutual benefits of connecting both tasks. Our code, models, and video results are available at https://haofeixu.github.io/depthsplat/.

Recently proposed Graph Neural Networks (GNNs) for vertex clustering are trained with an unsupervised minimum cut objective, approximated by a Spectral Clustering (SC) relaxation. However, the SC relaxation is loose and, while it offers a closed-form solution, it also yields overly smooth cluster assignments that poorly separate the vertices. In this paper, we propose a GNN model that computes cluster assignments by optimizing a tighter relaxation of the minimum cut based on graph total variation (GTV). The cluster assignments can be used directly to perform vertex clustering or to implement graph pooling in a graph classification framework. Our model consists of two core components: i) a message-passing layer that minimizes the ell_1 distance in the features of adjacent vertices, which is key to achieving sharp transitions between clusters; ii) an unsupervised loss function that minimizes the GTV of the cluster assignments while ensuring balanced partitions. Experimental results show that our model outperforms other GNNs for vertex clustering and graph classification.

Language models (LMs) trained on vast quantities of unlabelled data have greatly advanced the field of natural language processing (NLP). In this study, we re-visit the widely accepted notion in NLP that continued pre-training LMs on task-related texts improves the performance of fine-tuning (FT) in downstream tasks. Through experiments on eight single-sentence tasks and eight sentence-pair tasks in both semi-supervised and fully-supervised settings, we find that conventional continued pre-training does not consistently provide benefits and can even be detrimental for sentence-pair tasks or when prompt-based FT is used. To tackle these issues, we propose Prompt-based Continued Pre-training (PCP), which combines the idea of instruction tuning with conventional continued pre-training. Our approach aims to improve the performance of prompt-based FT by presenting both task-related texts and prompt templates to LMs through unsupervised pre-training objectives before fine-tuning for the target task. Our empirical evaluations on 21 benchmarks demonstrate that the PCP consistently improves the performance of state-of-the-art prompt-based FT approaches (up to 20.1% absolute) in both semi-supervised and fully-supervised settings, even with only hundreds of unlabelled examples. Additionally, prompt-based FT with the PCP outperforms state-of-the-art semi-supervised approaches with greater simplicity, eliminating the need for an iterative process and extra data augmentation. Our further analysis explores the performance lower bound of the PCP and reveals that the advantages of PCP persist across different sizes of models and datasets.

Unsupervised and self-supervised objectives, such as next token prediction, have enabled pre-training generalist models from large amounts of unlabeled data. In reinforcement learning (RL), however, finding a truly general and scalable unsupervised pre-training objective for generalist policies from offline data remains a major open question. While a number of methods have been proposed to enable generic self-supervised RL, based on principles such as goal-conditioned RL, behavioral cloning, and unsupervised skill learning, such methods remain limited in terms of either the diversity of the discovered behaviors, the need for high-quality demonstration data, or the lack of a clear prompting or adaptation mechanism for downstream tasks. In this work, we propose a novel unsupervised framework to pre-train generalist policies that capture diverse, optimal, long-horizon behaviors from unlabeled offline data such that they can be quickly adapted to any arbitrary new tasks in a zero-shot manner. Our key insight is to learn a structured representation that preserves the temporal structure of the underlying environment, and then to span this learned latent space with directional movements, which enables various zero-shot policy "prompting" schemes for downstream tasks. Through our experiments on simulated robotic locomotion and manipulation benchmarks, we show that our unsupervised policies can solve goal-conditioned and general RL tasks in a zero-shot fashion, even often outperforming prior methods designed specifically for each setting. Our code and videos are available at https://seohong.me/projects/hilp/

We present DALE, a novel and effective generative Data Augmentation framework for low-resource LEgal NLP. DALE addresses the challenges existing frameworks pose in generating effective data augmentations of legal documents - legal language, with its specialized vocabulary and complex semantics, morphology, and syntax, does not benefit from data augmentations that merely rephrase the source sentence. To address this, DALE, built on an Encoder-Decoder Language Model, is pre-trained on a novel unsupervised text denoising objective based on selective masking - our masking strategy exploits the domain-specific language characteristics of templatized legal documents to mask collocated spans of text. Denoising these spans helps DALE acquire knowledge about legal concepts, principles, and language usage. Consequently, it develops the ability to generate coherent and diverse augmentations with novel contexts. Finally, DALE performs conditional generation to generate synthetic augmentations for low-resource Legal NLP tasks. We demonstrate the effectiveness of DALE on 13 datasets spanning 6 tasks and 4 low-resource settings. DALE outperforms all our baselines, including LLMs, qualitatively and quantitatively, with improvements of 1%-50%.

This work presents a novel objective function for the unsupervised training of neural network sentence encoders. It exploits signals from paragraph-level discourse coherence to train these models to understand text. Our objective is purely discriminative, allowing us to train models many times faster than was possible under prior methods, and it yields models which perform well in extrinsic evaluations.

One significant factor we expect the video representation learning to capture, especially in contrast with the image representation learning, is the object motion. However, we found that in the current mainstream video datasets, some action categories are highly related with the scene where the action happens, making the model tend to degrade to a solution where only the scene information is encoded. For example, a trained model may predict a video as playing football simply because it sees the field, neglecting that the subject is dancing as a cheerleader on the field. This is against our original intention towards the video representation learning and may bring scene bias on different dataset that can not be ignored. In order to tackle this problem, we propose to decouple the scene and the motion (DSM) with two simple operations, so that the model attention towards the motion information is better paid. Specifically, we construct a positive clip and a negative clip for each video. Compared to the original video, the positive/negative is motion-untouched/broken but scene-broken/untouched by Spatial Local Disturbance and Temporal Local Disturbance. Our objective is to pull the positive closer while pushing the negative farther to the original clip in the latent space. In this way, the impact of the scene is weakened while the temporal sensitivity of the network is further enhanced. We conduct experiments on two tasks with various backbones and different pre-training datasets, and find that our method surpass the SOTA methods with a remarkable 8.1% and 8.8% improvement towards action recognition task on the UCF101 and HMDB51 datasets respectively using the same backbone.

The objective of continual learning (CL) is to learn tasks sequentially without retraining on earlier tasks. However, when subjected to CL, traditional neural networks exhibit catastrophic forgetting and limited generalization. To overcome these problems, we introduce a novel method called 'Gate and Obstruct Network' (GateON). GateON combines learnable gating of activity and online estimation of parameter relevance to safeguard crucial knowledge from being overwritten. Our method generates partially overlapping pathways between tasks which permits forward and backward transfer during sequential learning. GateON addresses the issue of network saturation after parameter fixation by a re-activation mechanism of fixed neurons, enabling large-scale continual learning. GateON is implemented on a wide range of networks (fully-connected, CNN, Transformers), has low computational complexity, effectively learns up to 100 MNIST learning tasks, and achieves top-tier results for pre-trained BERT in CL-based NLP tasks.

We present a large-scale study on unsupervised spatiotemporal representation learning from videos. With a unified perspective on four recent image-based frameworks, we study a simple objective that can easily generalize all these methods to space-time. Our objective encourages temporally-persistent features in the same video, and in spite of its simplicity, it works surprisingly well across: (i) different unsupervised frameworks, (ii) pre-training datasets, (iii) downstream datasets, and (iv) backbone architectures. We draw a series of intriguing observations from this study, e.g., we discover that encouraging long-spanned persistency can be effective even if the timespan is 60 seconds. In addition to state-of-the-art results in multiple benchmarks, we report a few promising cases in which unsupervised pre-training can outperform its supervised counterpart. Code is made available at https://github.com/facebookresearch/SlowFast

We propose a pipeline to generate Neural Radiance Fields~(NeRF) of an object or a scene of a specific class, conditioned on a single input image. This is a challenging task, as training NeRF requires multiple views of the same scene, coupled with corresponding poses, which are hard to obtain. Our method is based on pi-GAN, a generative model for unconditional 3D-aware image synthesis, which maps random latent codes to radiance fields of a class of objects. We jointly optimize (1) the pi-GAN objective to utilize its high-fidelity 3D-aware generation and (2) a carefully designed reconstruction objective. The latter includes an encoder coupled with pi-GAN generator to form an auto-encoder. Unlike previous few-shot NeRF approaches, our pipeline is unsupervised, capable of being trained with independent images without 3D, multi-view, or pose supervision. Applications of our pipeline include 3d avatar generation, object-centric novel view synthesis with a single input image, and 3d-aware super-resolution, to name a few.

We present an unsupervised learning framework for the task of monocular depth and camera motion estimation from unstructured video sequences. We achieve this by simultaneously training depth and camera pose estimation networks using the task of view synthesis as the supervisory signal. The networks are thus coupled via the view synthesis objective during training, but can be applied independently at test time. Empirical evaluation on the KITTI dataset demonstrates the effectiveness of our approach: 1) monocular depth performing comparably with supervised methods that use either ground-truth pose or depth for training, and 2) pose estimation performing favorably with established SLAM systems under comparable input settings.

We present an unsupervised non-parallel many-to-many voice conversion (VC) method using a generative adversarial network (GAN) called StarGAN v2. Using a combination of adversarial source classifier loss and perceptual loss, our model significantly outperforms previous VC models. Although our model is trained only with 20 English speakers, it generalizes to a variety of voice conversion tasks, such as any-to-many, cross-lingual, and singing conversion. Using a style encoder, our framework can also convert plain reading speech into stylistic speech, such as emotional and falsetto speech. Subjective and objective evaluation experiments on a non-parallel many-to-many voice conversion task revealed that our model produces natural sounding voices, close to the sound quality of state-of-the-art text-to-speech (TTS) based voice conversion methods without the need for text labels. Moreover, our model is completely convolutional and with a faster-than-real-time vocoder such as Parallel WaveGAN can perform real-time voice conversion.

Unsupervised video domain adaptation is a practical yet challenging task. In this work, for the first time, we tackle it from a disentanglement view. Our key idea is to handle the spatial and temporal domain divergence separately through disentanglement. Specifically, we consider the generation of cross-domain videos from two sets of latent factors, one encoding the static information and another encoding the dynamic information. A Transfer Sequential VAE (TranSVAE) framework is then developed to model such generation. To better serve for adaptation, we propose several objectives to constrain the latent factors. With these constraints, the spatial divergence can be readily removed by disentangling the static domain-specific information out, and the temporal divergence is further reduced from both frame- and video-levels through adversarial learning. Extensive experiments on the UCF-HMDB, Jester, and Epic-Kitchens datasets verify the effectiveness and superiority of TranSVAE compared with several state-of-the-art approaches. Code is publicly available.

In reinforcement learning, unsupervised skill discovery aims to learn diverse skills without extrinsic rewards. Previous methods discover skills by maximizing the mutual information (MI) between states and skills. However, such an MI objective tends to learn simple and static skills and may hinder exploration. In this paper, we propose a novel unsupervised skill discovery method through contrastive learning among behaviors, which makes the agent produce similar behaviors for the same skill and diverse behaviors for different skills. Under mild assumptions, our objective maximizes the MI between different behaviors based on the same skill, which serves as an upper bound of the previous MI objective. Meanwhile, our method implicitly increases the state entropy to obtain better state coverage. We evaluate our method on challenging mazes and continuous control tasks. The results show that our method generates diverse and far-reaching skills, and also obtains competitive performance in downstream tasks compared to the state-of-the-art methods.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

Deep learning methods for unsupervised registration often rely on objectives that assume a uniform noise level across the spatial domain (e.g. mean-squared error loss), but noise distributions are often heteroscedastic and input-dependent in real-world medical images. Thus, this assumption often leads to degradation in registration performance, mainly due to the undesired influence of noise-induced outliers. To mitigate this, we propose a framework for heteroscedastic image uncertainty estimation that can adaptively reduce the influence of regions with high uncertainty during unsupervised registration. The framework consists of a collaborative training strategy for the displacement and variance estimators, and a novel image fidelity weighting scheme utilizing signal-to-noise ratios. Our approach prevents the model from being driven away by spurious gradients caused by the simplified homoscedastic assumption, leading to more accurate displacement estimation. To illustrate its versatility and effectiveness, we tested our framework on two representative registration architectures across three medical image datasets. Our method consistently outperforms baselines and produces sensible uncertainty estimates. The code is publicly available at https://voldemort108x.github.io/hetero_uncertainty/.

In this work, we investigate a more realistic unsupervised multimodal machine translation (UMMT) setup, inference-time image-free UMMT, where the model is trained with source-text image pairs, and tested with only source-text inputs. First, we represent the input images and texts with the visual and language scene graphs (SG), where such fine-grained vision-language features ensure a holistic understanding of the semantics. To enable pure-text input during inference, we devise a visual scene hallucination mechanism that dynamically generates pseudo visual SG from the given textual SG. Several SG-pivoting based learning objectives are introduced for unsupervised translation training. On the benchmark Multi30K data, our SG-based method outperforms the best-performing baseline by significant BLEU scores on the task and setup, helping yield translations with better completeness, relevance and fluency without relying on paired images. Further in-depth analyses reveal how our model advances in the task setting.

Clustering is central to many data-driven application domains and has been studied extensively in terms of distance functions and grouping algorithms. Relatively little work has focused on learning representations for clustering. In this paper, we propose Deep Embedded Clustering (DEC), a method that simultaneously learns feature representations and cluster assignments using deep neural networks. DEC learns a mapping from the data space to a lower-dimensional feature space in which it iteratively optimizes a clustering objective. Our experimental evaluations on image and text corpora show significant improvement over state-of-the-art methods.

Unsupervised reinforcement learning aims at learning a generalist policy in a reward-free manner for fast adaptation to downstream tasks. Most of the existing methods propose to provide an intrinsic reward based on surprise. Maximizing or minimizing surprise drives the agent to either explore or gain control over its environment. However, both strategies rely on a strong assumption: the entropy of the environment's dynamics is either high or low. This assumption may not always hold in real-world scenarios, where the entropy of the environment's dynamics may be unknown. Hence, choosing between the two objectives is a dilemma. We propose a novel yet simple mixture of policies to address this concern, allowing us to optimize an objective that simultaneously maximizes and minimizes the surprise. Concretely, we train one mixture component whose objective is to maximize the surprise and another whose objective is to minimize the surprise. Hence, our method does not make assumptions about the entropy of the environment's dynamics. We call our method a Mixture Of SurpriseS (MOSS) for unsupervised reinforcement learning. Experimental results show that our simple method achieves state-of-the-art performance on the URLB benchmark, outperforming previous pure surprise maximization-based objectives. Our code is available at: https://github.com/LeapLabTHU/MOSS.

Recent advancements in Large Language Models (LLMs) have renewed interest in automatic programming language translation. Encoder-decoder transformer models, in particular, have shown promise in translating between different programming languages. However, translating between a language and its high-performance computing (HPC) extensions remains underexplored due to challenges such as complex parallel semantics. In this paper, we introduce CodeRosetta, an encoder-decoder transformer model designed specifically for translating between programming languages and their HPC extensions. CodeRosetta is evaluated on C++ to CUDA and Fortran to C++ translation tasks. It uses a customized learning framework with tailored pretraining and training objectives to effectively capture both code semantics and parallel structural nuances, enabling bidirectional translation. Our results show that CodeRosetta outperforms state-of-the-art baselines in C++ to CUDA translation by 2.9 BLEU and 1.72 CodeBLEU points while improving compilation accuracy by 6.05%. Compared to general closed-source LLMs, our method improves C++ to CUDA translation by 22.08 BLEU and 14.39 CodeBLEU, with 2.75% higher compilation accuracy. Finally, CodeRosetta exhibits proficiency in Fortran to parallel C++ translation, marking it, to our knowledge, as the first encoder-decoder model for this complex task, improving CodeBLEU by at least 4.63 points compared to closed-source and open-code LLMs.

This thesis focuses on improving the pre-training of natural language models using unsupervised raw data to make them more efficient and aligned with downstream applications. In the first part, we introduce three alternative pre-training objectives to BERT's Masked Language Modeling (MLM), namely Random Token Substitution (RTS), Cluster-based Random Token Substitution (C-RTS), and Swapped Language Modeling (SLM). These objectives involve token swapping instead of masking, with RTS and C-RTS aiming to predict token originality and SLM predicting the original token values. Results show that RTS and C-RTS require less pre-training time while maintaining performance comparable to MLM. Surprisingly, SLM outperforms MLM on certain tasks despite using the same computational budget. In the second part, we proposes self-supervised pre-training tasks that align structurally with downstream applications, reducing the need for labeled data. We use large corpora like Wikipedia and CC-News to train models to recognize if text spans originate from the same paragraph or document in several ways. By doing continuous pre-training, starting from existing models like RoBERTa, ELECTRA, DeBERTa, BART, and T5, we demonstrate significant performance improvements in tasks like Fact Verification, Answer Sentence Selection, and Summarization. These improvements are especially pronounced when limited annotation data is available. The proposed objectives also achieve state-of-the-art results on various benchmark datasets, including FEVER (dev set), ASNQ, WikiQA, and TREC-QA, as well as enhancing the quality of summaries. Importantly, these techniques can be easily integrated with other methods without altering the internal structure of Transformer models, making them versatile for various NLP applications.

Language models contain ranking-based knowledge and are powerful solvers of in-context ranking tasks. For instance, they may have parametric knowledge about the ordering of countries by size or may be able to rank reviews by sentiment. Recent work focuses on pairwise, pointwise, and listwise prompting techniques to elicit a language model's ranking knowledge. However, we find that even with careful calibration and constrained decoding, prompting-based techniques may not always be self-consistent in the rankings they produce. This motivates us to explore an alternative approach that is inspired by an unsupervised probing method called Contrast-Consistent Search (CCS). The idea is to train a probing model guided by a logical constraint: a model's representation of a statement and its negation must be mapped to contrastive true-false poles consistently across multiple statements. We hypothesize that similar constraints apply to ranking tasks where all items are related via consistent pairwise or listwise comparisons. To this end, we extend the binary CCS method to Contrast-Consistent Ranking (CCR) by adapting existing ranking methods such as the Max-Margin Loss, Triplet Loss, and Ordinal Regression objective. Our results confirm that, for the same language model, CCR probing outperforms prompting and even performs on a par with prompting much larger language models.

Reinforcement Learning (RL) algorithms are often known for sample inefficiency and difficult generalization. Recently, Unsupervised Environment Design (UED) emerged as a new paradigm for zero-shot generalization by simultaneously learning a task distribution and agent policies on the generated tasks. This is a non-stationary process where the task distribution evolves along with agent policies; creating an instability over time. While past works demonstrated the potential of such approaches, sampling effectively from the task space remains an open challenge, bottlenecking these approaches. To this end, we introduce CLUTR: a novel unsupervised curriculum learning algorithm that decouples task representation and curriculum learning into a two-stage optimization. It first trains a recurrent variational autoencoder on randomly generated tasks to learn a latent task manifold. Next, a teacher agent creates a curriculum by maximizing a minimax REGRET-based objective on a set of latent tasks sampled from this manifold. Using the fixed-pretrained task manifold, we show that CLUTR successfully overcomes the non-stationarity problem and improves stability. Our experimental results show CLUTR outperforms PAIRED, a principled and popular UED method, in the challenging CarRacing and navigation environments: achieving 10.6X and 45\% improvement in zero-shot generalization, respectively. CLUTR also performs comparably to the non-UED state-of-the-art for CarRacing, while requiring 500X fewer environment interactions.

Recent research considers few-shot intent detection as a meta-learning problem: the model is learning to learn from a consecutive set of small tasks named episodes. In this work, we propose ProtAugment, a meta-learning algorithm for short texts classification (the intent detection task). ProtAugment is a novel extension of Prototypical Networks, that limits overfitting on the bias introduced by the few-shots classification objective at each episode. It relies on diverse paraphrasing: a conditional language model is first fine-tuned for paraphrasing, and diversity is later introduced at the decoding stage at each meta-learning episode. The diverse paraphrasing is unsupervised as it is applied to unlabelled data, and then fueled to the Prototypical Network training objective as a consistency loss. ProtAugment is the state-of-the-art method for intent detection meta-learning, at no extra labeling efforts and without the need to fine-tune a conditional language model on a given application domain.

A major goal of unsupervised learning is to discover data representations that are useful for subsequent tasks, without access to supervised labels during training. Typically, this involves minimizing a surrogate objective, such as the negative log likelihood of a generative model, with the hope that representations useful for subsequent tasks will arise as a side effect. In this work, we propose instead to directly target later desired tasks by meta-learning an unsupervised learning rule which leads to representations useful for those tasks. Specifically, we target semi-supervised classification performance, and we meta-learn an algorithm -- an unsupervised weight update rule -- that produces representations useful for this task. Additionally, we constrain our unsupervised update rule to a be a biologically-motivated, neuron-local function, which enables it to generalize to different neural network architectures, datasets, and data modalities. We show that the meta-learned update rule produces useful features and sometimes outperforms existing unsupervised learning techniques. We further show that the meta-learned unsupervised update rule generalizes to train networks with different widths, depths, and nonlinearities. It also generalizes to train on data with randomly permuted input dimensions and even generalizes from image datasets to a text task.

In this paper, we propose LaPraDoR, a pretrained dual-tower dense retriever that does not require any supervised data for training. Specifically, we first present Iterative Contrastive Learning (ICoL) that iteratively trains the query and document encoders with a cache mechanism. ICoL not only enlarges the number of negative instances but also keeps representations of cached examples in the same hidden space. We then propose Lexicon-Enhanced Dense Retrieval (LEDR) as a simple yet effective way to enhance dense retrieval with lexical matching. We evaluate LaPraDoR on the recently proposed BEIR benchmark, including 18 datasets of 9 zero-shot text retrieval tasks. Experimental results show that LaPraDoR achieves state-of-the-art performance compared with supervised dense retrieval models, and further analysis reveals the effectiveness of our training strategy and objectives. Compared to re-ranking, our lexicon-enhanced approach can be run in milliseconds (22.5x faster) while achieving superior performance.

Recent methods for knowledge grounded dialogs generate responses by incorporating information from an external textual document. These methods do not require the exact document to be known during training and rely on the use of a retrieval system to fetch relevant documents from a large index. The documents used to generate the responses are modeled as latent variables whose prior probabilities need to be estimated. Models such as RAG and REALM, marginalize the document probabilities over the documents retrieved from the index to define the log likelihood loss function which is optimized end-to-end. In this paper, we develop a variational approach to the above technique wherein, we instead maximize the Evidence Lower bound (ELBO). Using a collection of three publicly available open-conversation datasets, we demonstrate how the posterior distribution, that has information from the ground-truth response, allows for a better approximation of the objective function during training. To overcome the challenges associated with sampling over a large knowledge collection, we develop an efficient approach to approximate the ELBO. To the best of our knowledge we are the first to apply variational training for open-scale unsupervised knowledge grounded dialog systems.

Large pretrained Transformer language models have been shown to exhibit zero-shot generalization, i.e. they can perform a wide variety of tasks that they were not explicitly trained on. However, the architectures and pretraining objectives used across state-of-the-art models differ significantly, and there has been limited systematic comparison of these factors. In this work, we present a large-scale evaluation of modeling choices and their impact on zero-shot generalization. In particular, we focus on text-to-text models and experiment with three model architectures (causal/non-causal decoder-only and encoder-decoder), trained with two different pretraining objectives (autoregressive and masked language modeling), and evaluated with and without multitask prompted finetuning. We train models with over 5 billion parameters for more than 170 billion tokens, thereby increasing the likelihood that our conclusions will transfer to even larger scales. Our experiments show that causal decoder-only models trained on an autoregressive language modeling objective exhibit the strongest zero-shot generalization after purely unsupervised pretraining. However, models with non-causal visibility on their input trained with a masked language modeling objective followed by multitask finetuning perform the best among our experiments. We therefore consider the adaptation of pretrained models across architectures and objectives. We find that pretrained non-causal decoder models can be adapted into performant generative causal decoder models, using autoregressive language modeling as a downstream task. Furthermore, we find that pretrained causal decoder models can be efficiently adapted into non-causal decoder models, ultimately achieving competitive performance after multitask finetuning. Code and checkpoints are available at https://github.com/bigscience-workshop/architecture-objective.

Word alignment is essential for the downstream cross-lingual language understanding and generation tasks. Recently, the performance of the neural word alignment models has exceeded that of statistical models. However, they heavily rely on sophisticated translation models. In this study, we propose a super lightweight unsupervised word alignment model named MirrorAlign, in which bidirectional symmetric attention trained with a contrastive learning objective is introduced, and an agreement loss is employed to bind the attention maps, such that the alignments follow mirror-like symmetry hypothesis. Experimental results on several public benchmarks demonstrate that our model achieves competitive, if not better, performance compared to the state of the art in word alignment while significantly reducing the training and decoding time on average. Further ablation analysis and case studies show the superiority of our proposed MirrorAlign. Notably, we recognize our model as a pioneer attempt to unify bilingual word embedding and word alignments. Encouragingly, our approach achieves {16.4X speedup} against GIZA++, and {50X parameter compression} compared with the Transformer-based alignment methods. We release our code to facilitate the community: https://github.com/moore3930/MirrorAlign.

Sentence embeddings are an important component of many natural language processing (NLP) systems. Like word embeddings, sentence embeddings are typically learned on large text corpora and then transferred to various downstream tasks, such as clustering and retrieval. Unlike word embeddings, the highest performing solutions for learning sentence embeddings require labelled data, limiting their usefulness to languages and domains where labelled data is abundant. In this paper, we present DeCLUTR: Deep Contrastive Learning for Unsupervised Textual Representations. Inspired by recent advances in deep metric learning (DML), we carefully design a self-supervised objective for learning universal sentence embeddings that does not require labelled training data. When used to extend the pretraining of transformer-based language models, our approach closes the performance gap between unsupervised and supervised pretraining for universal sentence encoders. Importantly, our experiments suggest that the quality of the learned embeddings scale with both the number of trainable parameters and the amount of unlabelled training data. Our code and pretrained models are publicly available and can be easily adapted to new domains or used to embed unseen text.

We propose an adaptive training scheme for unsupervised medical image registration. Existing methods rely on image reconstruction as the primary supervision signal. However, nuisance variables (e.g. noise and covisibility), violation of the Lambertian assumption in physical waves (e.g. ultrasound), and inconsistent image acquisition can all cause a loss of correspondence between medical images. As the unsupervised learning scheme relies on intensity constancy between images to establish correspondence for reconstruction, this introduces spurious error residuals that are not modeled by the typical training objective. To mitigate this, we propose an adaptive framework that re-weights the error residuals with a correspondence scoring map during training, preventing the parametric displacement estimator from drifting away due to noisy gradients, which leads to performance degradation. To illustrate the versatility and effectiveness of our method, we tested our framework on three representative registration architectures across three medical image datasets along with other baselines. Our adaptive framework consistently outperforms other methods both quantitatively and qualitatively. Paired t-tests show that our improvements are statistically significant. Code available at: https://voldemort108x.github.io/AdaCS/.

Generative models have been very popular in the recent years for their image generation capabilities. GAN-based models are highly regarded for their disentangled latent space, which is a key feature contributing to their success in controlled image editing. On the other hand, diffusion models have emerged as powerful tools for generating high-quality images. However, the latent space of diffusion models is not as thoroughly explored or understood. Existing methods that aim to explore the latent space of diffusion models usually relies on text prompts to pinpoint specific semantics. However, this approach may be restrictive in areas such as art, fashion, or specialized fields like medicine, where suitable text prompts might not be available or easy to conceive thus limiting the scope of existing work. In this paper, we propose an unsupervised method to discover latent semantics in text-to-image diffusion models without relying on text prompts. Our method takes a small set of unlabeled images from specific domains, such as faces or cats, and a pre-trained diffusion model, and discovers diverse semantics in unsupervised fashion using a contrastive learning objective. Moreover, the learned directions can be applied simultaneously, either within the same domain (such as various types of facial edits) or across different domains (such as applying cat and face edits within the same image) without interfering with each other. Our extensive experiments show that our method achieves highly disentangled edits, outperforming existing approaches in both diffusion-based and GAN-based latent space editing methods.

Due to privacy, storage, and other constraints, there is a growing need for unsupervised domain adaptation techniques in machine learning that do not require access to the data used to train a collection of source models. Existing methods for multi-source-free domain adaptation (MSFDA) typically train a target model using pseudo-labeled data produced by the source models, which focus on improving the pseudo-labeling techniques or proposing new training objectives. Instead, we aim to analyze the fundamental limits of MSFDA. In particular, we develop an information-theoretic bound on the generalization error of the resulting target model, which illustrates an inherent bias-variance trade-off. We then provide insights on how to balance this trade-off from three perspectives, including domain aggregation, selective pseudo-labeling, and joint feature alignment, which leads to the design of novel algorithms. Experiments on multiple datasets validate our theoretical analysis and demonstrate the state-of-art performance of the proposed algorithm, especially on some of the most challenging datasets, including Office-Home and DomainNet.

Multimodal contrastive pretraining has been used to train multimodal representation models, such as CLIP, on large amounts of paired image-text data. However, previous studies have revealed that such models are vulnerable to backdoor attacks. Specifically, when trained on backdoored examples, CLIP learns spurious correlations between the embedded backdoor trigger and the target label, aligning their representations in the joint embedding space. Injecting even a small number of poisoned examples, such as 75 examples in 3 million pretraining data, can significantly manipulate the model's behavior, making it difficult to detect or unlearn such correlations. To address this issue, we propose CleanCLIP, a finetuning framework that weakens the learned spurious associations introduced by backdoor attacks by independently re-aligning the representations for individual modalities. We demonstrate that unsupervised finetuning using a combination of multimodal contrastive and unimodal self-supervised objectives for individual modalities can significantly reduce the impact of the backdoor attack. Additionally, we show that supervised finetuning on task-specific labeled image data removes the backdoor trigger from the CLIP vision encoder. We show empirically that CleanCLIP maintains model performance on benign examples while erasing a range of backdoor attacks on multimodal contrastive learning. The code and checkpoints are available at https://github.com/nishadsinghi/CleanCLIP.

Diffusion models trained with mean squared error loss tend to generate unrealistic samples. Current state-of-the-art models rely on classifier-free guidance to improve sample quality, yet its surprising effectiveness is not fully understood. In this paper, We show that the effectiveness of classifier-free guidance partly originates from it being a form of implicit perceptual guidance. As a result, we can directly incorporate perceptual loss in diffusion training to improve sample quality. Since the score matching objective used in diffusion training strongly resembles the denoising autoencoder objective used in unsupervised training of perceptual networks, the diffusion model itself is a perceptual network and can be used to generate meaningful perceptual loss. We propose a novel self-perceptual objective that results in diffusion models capable of generating more realistic samples. For conditional generation, our method only improves sample quality without entanglement with the conditional input and therefore does not sacrifice sample diversity. Our method can also improve sample quality for unconditional generation, which was not possible with classifier-free guidance before.

We introduce a new approach to generative data-driven dialogue systems (e.g. chatbots) called TransferTransfo which is a combination of a Transfer learning based training scheme and a high-capacity Transformer model. Fine-tuning is performed by using a multi-task objective which combines several unsupervised prediction tasks. The resulting fine-tuned model shows strong improvements over the current state-of-the-art end-to-end conversational models like memory augmented seq2seq and information-retrieval models. On the privately held PERSONA-CHAT dataset of the Conversational Intelligence Challenge 2, this approach obtains a new state-of-the-art, with respective perplexity, Hits@1 and F1 metrics of 16.28 (45 % absolute improvement), 80.7 (46 % absolute improvement) and 19.5 (20 % absolute improvement).

This paper presents SimCSE, a simple contrastive learning framework that greatly advances state-of-the-art sentence embeddings. We first describe an unsupervised approach, which takes an input sentence and predicts itself in a contrastive objective, with only standard dropout used as noise. This simple method works surprisingly well, performing on par with previous supervised counterparts. We find that dropout acts as minimal data augmentation, and removing it leads to a representation collapse. Then, we propose a supervised approach, which incorporates annotated pairs from natural language inference datasets into our contrastive learning framework by using "entailment" pairs as positives and "contradiction" pairs as hard negatives. We evaluate SimCSE on standard semantic textual similarity (STS) tasks, and our unsupervised and supervised models using BERT base achieve an average of 76.3% and 81.6% Spearman's correlation respectively, a 4.2% and 2.2% improvement compared to the previous best results. We also show -- both theoretically and empirically -- that the contrastive learning objective regularizes pre-trained embeddings' anisotropic space to be more uniform, and it better aligns positive pairs when supervised signals are available.

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases linking DNA sequences to an enzymatic function label. However, much of the scientific community's knowledge of biological function is not represented in these categorical labels, and is instead captured in unstructured text descriptions of mechanisms, reactions, and enzyme behavior. These descriptions are often captured alongside DNA sequences in biological databases, albeit in an unstructured manner. Deep learning of models predicting enzymatic function are likely to benefit from incorporating this multi-modal data encoding scientific knowledge of biological function. There is, however, no dataset designed for machine learning algorithms to leverage this multi-modal information. Here we propose a novel dataset and benchmark suite that enables the exploration and development of large multi-modal neural network models on gene DNA sequences and natural language descriptions of gene function. We present baseline performance on benchmarks for both unsupervised and supervised tasks that demonstrate the difficulty of this modeling objective, while demonstrating the potential benefit of incorporating multi-modal data types in function prediction compared to DNA sequences alone. Our dataset is at: https://hoarfrost-lab.github.io/BioTalk/.

Concept shift is a prevailing problem in natural tasks like medical image segmentation where samples usually come from different subpopulations with variant correlations between features and labels. One common type of concept shift in medical image segmentation is the "information imbalance" between label-sparse samples with few (if any) segmentation labels and label-dense samples with plentiful labeled pixels. Existing distributionally robust algorithms have focused on adaptively truncating/down-weighting the "less informative" (i.e., label-sparse in our context) samples. To exploit data features of label-sparse samples more efficiently, we propose an adaptively weighted online optimization algorithm -- AdaWAC -- to incorporate data augmentation consistency regularization in sample reweighting. Our method introduces a set of trainable weights to balance the supervised loss and unsupervised consistency regularization of each sample separately. At the saddle point of the underlying objective, the weights assign label-dense samples to the supervised loss and label-sparse samples to the unsupervised consistency regularization. We provide a convergence guarantee by recasting the optimization as online mirror descent on a saddle point problem. Our empirical results demonstrate that AdaWAC not only enhances the segmentation performance and sample efficiency but also improves the robustness to concept shift on various medical image segmentation tasks with different UNet-style backbones.

In this paper we present SurfaceNet, an approach for estimating spatially-varying bidirectional reflectance distribution function (SVBRDF) material properties from a single image. We pose the problem as an image translation task and propose a novel patch-based generative adversarial network (GAN) that is able to produce high-quality, high-resolution surface reflectance maps. The employment of the GAN paradigm has a twofold objective: 1) allowing the model to recover finer details than standard translation models; 2) reducing the domain shift between synthetic and real data distributions in an unsupervised way. An extensive evaluation, carried out on a public benchmark of synthetic and real images under different illumination conditions, shows that SurfaceNet largely outperforms existing SVBRDF reconstruction methods, both quantitatively and qualitatively. Furthermore, SurfaceNet exhibits a remarkable ability in generating high-quality maps from real samples without any supervision at training time.

As video games evolve into expansive, detailed worlds, visual quality becomes essential, yet increasingly challenging. Traditional testing methods, limited by resources, face difficulties in addressing the plethora of potential bugs. Machine learning offers scalable solutions; however, heavy reliance on large labeled datasets remains a constraint. Addressing this challenge, we propose a novel method, utilizing unlabeled gameplay and domain-specific augmentations to generate datasets & self-supervised objectives used during pre-training or multi-task settings for downstream visual bug detection. Our methodology uses weak-supervision to scale datasets for the crafted objectives and facilitates both autonomous and interactive weak-supervision, incorporating unsupervised clustering and/or an interactive approach based on text and geometric prompts. We demonstrate on first-person player clipping/collision bugs (FPPC) within the expansive Giantmap game world, that our approach is very effective, improving over a strong supervised baseline in a practical, very low-prevalence, low data regime (0.336 rightarrow 0.550 F1 score). With just 5 labeled "good" exemplars (i.e., 0 bugs), our self-supervised objective alone captures enough signal to outperform the low-labeled supervised settings. Building on large-pretrained vision models, our approach is adaptable across various visual bugs. Our results suggest applicability in curating datasets for broader image and video tasks within video games beyond visual bugs.

Intelligent creatures can explore their environments and learn useful skills without supervision. In this paper, we propose DIAYN ('Diversity is All You Need'), a method for learning useful skills without a reward function. Our proposed method learns skills by maximizing an information theoretic objective using a maximum entropy policy. On a variety of simulated robotic tasks, we show that this simple objective results in the unsupervised emergence of diverse skills, such as walking and jumping. In a number of reinforcement learning benchmark environments, our method is able to learn a skill that solves the benchmark task despite never receiving the true task reward. We show how pretrained skills can provide a good parameter initialization for downstream tasks, and can be composed hierarchically to solve complex, sparse reward tasks. Our results suggest that unsupervised discovery of skills can serve as an effective pretraining mechanism for overcoming challenges of exploration and data efficiency in reinforcement learning.

Recent studies have demonstrated the efficiency of generative pretraining for English natural language understanding. In this work, we extend this approach to multiple languages and show the effectiveness of cross-lingual pretraining. We propose two methods to learn cross-lingual language models (XLMs): one unsupervised that only relies on monolingual data, and one supervised that leverages parallel data with a new cross-lingual language model objective. We obtain state-of-the-art results on cross-lingual classification, unsupervised and supervised machine translation. On XNLI, our approach pushes the state of the art by an absolute gain of 4.9% accuracy. On unsupervised machine translation, we obtain 34.3 BLEU on WMT'16 German-English, improving the previous state of the art by more than 9 BLEU. On supervised machine translation, we obtain a new state of the art of 38.5 BLEU on WMT'16 Romanian-English, outperforming the previous best approach by more than 4 BLEU. Our code and pretrained models will be made publicly available.

We introduce MARGE, a pre-trained sequence-to-sequence model learned with an unsupervised multi-lingual multi-document paraphrasing objective. MARGE provides an alternative to the dominant masked language modeling paradigm, where we self-supervise the reconstruction of target text by retrieving a set of related texts (in many languages) and conditioning on them to maximize the likelihood of generating the original. We show it is possible to jointly learn to do retrieval and reconstruction, given only a random initialization. The objective noisily captures aspects of paraphrase, translation, multi-document summarization, and information retrieval, allowing for strong zero-shot performance on several tasks. For example, with no additional task-specific training we achieve BLEU scores of up to 35.8 for document translation. We further show that fine-tuning gives strong performance on a range of discriminative and generative tasks in many languages, making MARGE the most generally applicable pre-training method to date.

We introduce SODA, a self-supervised diffusion model, designed for representation learning. The model incorporates an image encoder, which distills a source view into a compact representation, that, in turn, guides the generation of related novel views. We show that by imposing a tight bottleneck between the encoder and a denoising decoder, and leveraging novel view synthesis as a self-supervised objective, we can turn diffusion models into strong representation learners, capable of capturing visual semantics in an unsupervised manner. To the best of our knowledge, SODA is the first diffusion model to succeed at ImageNet linear-probe classification, and, at the same time, it accomplishes reconstruction, editing and synthesis tasks across a wide range of datasets. Further investigation reveals the disentangled nature of its emergent latent space, that serves as an effective interface to control and manipulate the model's produced images. All in all, we aim to shed light on the exciting and promising potential of diffusion models, not only for image generation, but also for learning rich and robust representations.

Bidirectional masked Transformers have become the core theme in the current NLP landscape. Despite their impressive benchmarks, a recurring theme in recent research has been to question such models' capacity for syntactic generalization. In this work, we seek to address this question by adding a supervised, token-level supertagging objective to standard unsupervised pretraining, enabling the explicit incorporation of syntactic biases into the network's training dynamics. Our approach is straightforward to implement, induces a marginal computational overhead and is general enough to adapt to a variety of settings. We apply our methodology on Lassy Large, an automatically annotated corpus of written Dutch. Our experiments suggest that our syntax-aware model performs on par with established baselines, despite Lassy Large being one order of magnitude smaller than commonly used corpora.

Graph representation learning nowadays becomes fundamental in analyzing graph-structured data. Inspired by recent success of contrastive methods, in this paper, we propose a novel framework for unsupervised graph representation learning by leveraging a contrastive objective at the node level. Specifically, we generate two graph views by corruption and learn node representations by maximizing the agreement of node representations in these two views. To provide diverse node contexts for the contrastive objective, we propose a hybrid scheme for generating graph views on both structure and attribute levels. Besides, we provide theoretical justification behind our motivation from two perspectives, mutual information and the classical triplet loss. We perform empirical experiments on both transductive and inductive learning tasks using a variety of real-world datasets. Experimental experiments demonstrate that despite its simplicity, our proposed method consistently outperforms existing state-of-the-art methods by large margins. Moreover, our unsupervised method even surpasses its supervised counterparts on transductive tasks, demonstrating its great potential in real-world applications.

We introduce a parametric nonlinear transformation that is well-suited for Gaussianizing data from natural images. The data are linearly transformed, and each component is then normalized by a pooled activity measure, computed by exponentiating a weighted sum of rectified and exponentiated components and a constant. We optimize the parameters of the full transformation (linear transform, exponents, weights, constant) over a database of natural images, directly minimizing the negentropy of the responses. The optimized transformation substantially Gaussianizes the data, achieving a significantly smaller mutual information between transformed components than alternative methods including ICA and radial Gaussianization. The transformation is differentiable and can be efficiently inverted, and thus induces a density model on images. We show that samples of this model are visually similar to samples of natural image patches. We demonstrate the use of the model as a prior probability density that can be used to remove additive noise. Finally, we show that the transformation can be cascaded, with each layer optimized using the same Gaussianization objective, thus offering an unsupervised method of optimizing a deep network architecture.

Large language models like GPT-4 exhibit emergent capabilities across general-purpose tasks, such as basic arithmetic, when trained on extensive text data, even though these tasks are not explicitly encoded by the unsupervised, next-token prediction objective. This study investigates how small transformers, trained from random initialization, can efficiently learn arithmetic operations such as addition, multiplication, and elementary functions like square root, using the next-token prediction objective. We first demonstrate that conventional training data is not the most effective for arithmetic learning, and simple formatting changes can significantly improve accuracy. This leads to sharp phase transitions as a function of training data scale, which, in some cases, can be explained through connections to low-rank matrix completion. Building on prior work, we then train on chain-of-thought style data that includes intermediate step results. Even in the complete absence of pretraining, this approach significantly and simultaneously improves accuracy, sample complexity, and convergence speed. We also study the interplay between arithmetic and text data during training and examine the effects of few-shot prompting, pretraining, and model scale. Additionally, we discuss length generalization challenges. Our work highlights the importance of high-quality, instructive data that considers the particular characteristics of the next-word prediction objective for rapidly eliciting arithmetic capabilities.

Pre-training general-purpose visual features with convolutional neural networks without relying on annotations is a challenging and important task. Most recent efforts in unsupervised feature learning have focused on either small or highly curated datasets like ImageNet, whereas using uncurated raw datasets was found to decrease the feature quality when evaluated on a transfer task. Our goal is to bridge the performance gap between unsupervised methods trained on curated data, which are costly to obtain, and massive raw datasets that are easily available. To that effect, we propose a new unsupervised approach which leverages self-supervision and clustering to capture complementary statistics from large-scale data. We validate our approach on 96 million images from YFCC100M, achieving state-of-the-art results among unsupervised methods on standard benchmarks, which confirms the potential of unsupervised learning when only uncurated data are available. We also show that pre-training a supervised VGG-16 with our method achieves 74.9% top-1 classification accuracy on the validation set of ImageNet, which is an improvement of +0.8% over the same network trained from scratch. Our code is available at https://github.com/facebookresearch/DeeperCluster.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

We consider the problem of weakly supervised object detection, where the training samples are annotated using only image-level labels that indicate the presence or absence of an object category. In order to model the uncertainty in the location of the objects, we employ a dissimilarity coefficient based probabilistic learning objective. The learning objective minimizes the difference between an annotation agnostic prediction distribution and an annotation aware conditional distribution. The main computational challenge is the complex nature of the conditional distribution, which consists of terms over hundreds or thousands of variables. The complexity of the conditional distribution rules out the possibility of explicitly modeling it. Instead, we exploit the fact that deep learning frameworks rely on stochastic optimization. This allows us to use a state of the art discrete generative model that can provide annotation consistent samples from the conditional distribution. Extensive experiments on PASCAL VOC 2007 and 2012 data sets demonstrate the efficacy of our proposed approach.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

We introduce an unsupervised feature learning approach that embeds 3D shape information into a single-view image representation. The main idea is a self-supervised training objective that, given only a single 2D image, requires all unseen views of the object to be predictable from learned features. We implement this idea as an encoder-decoder convolutional neural network. The network maps an input image of an unknown category and unknown viewpoint to a latent space, from which a deconvolutional decoder can best "lift" the image to its complete viewgrid showing the object from all viewing angles. Our class-agnostic training procedure encourages the representation to capture fundamental shape primitives and semantic regularities in a data-driven manner---without manual semantic labels. Our results on two widely-used shape datasets show 1) our approach successfully learns to perform "mental rotation" even for objects unseen during training, and 2) the learned latent space is a powerful representation for object recognition, outperforming several existing unsupervised feature learning methods.

Can we automatically group images into semantically meaningful clusters when ground-truth annotations are absent? The task of unsupervised image classification remains an important, and open challenge in computer vision. Several recent approaches have tried to tackle this problem in an end-to-end fashion. In this paper, we deviate from recent works, and advocate a two-step approach where feature learning and clustering are decoupled. First, a self-supervised task from representation learning is employed to obtain semantically meaningful features. Second, we use the obtained features as a prior in a learnable clustering approach. In doing so, we remove the ability for cluster learning to depend on low-level features, which is present in current end-to-end learning approaches. Experimental evaluation shows that we outperform state-of-the-art methods by large margins, in particular +26.6% on CIFAR10, +25.0% on CIFAR100-20 and +21.3% on STL10 in terms of classification accuracy. Furthermore, our method is the first to perform well on a large-scale dataset for image classification. In particular, we obtain promising results on ImageNet, and outperform several semi-supervised learning methods in the low-data regime without the use of any ground-truth annotations. The code is made publicly available at https://github.com/wvangansbeke/Unsupervised-Classification.

A common practice in unsupervised representation learning is to use labeled data to evaluate the quality of the learned representations. This supervised evaluation is then used to guide critical aspects of the training process such as selecting the data augmentation policy. However, guiding an unsupervised training process through supervised evaluations is not possible for real-world data that does not actually contain labels (which may be the case, for example, in privacy sensitive fields such as medical imaging). Therefore, in this work we show that evaluating the learned representations with a self-supervised image rotation task is highly correlated with a standard set of supervised evaluations (rank correlation > 0.94). We establish this correlation across hundreds of augmentation policies, training settings, and network architectures and provide an algorithm (SelfAugment) to automatically and efficiently select augmentation policies without using supervised evaluations. Despite not using any labeled data, the learned augmentation policies perform comparably with augmentation policies that were determined using exhaustive supervised evaluations.

One-class learning is the classic problem of fitting a model to data for which annotations are available only for a single class. In this paper, we propose a novel objective for one-class learning. Our key idea is to use a pair of orthonormal frames -- as subspaces -- to "sandwich" the labeled data via optimizing for two objectives jointly: i) minimize the distance between the origins of the two subspaces, and ii) to maximize the margin between the hyperplanes and the data, either subspace demanding the data to be in its positive and negative orthant respectively. Our proposed objective however leads to a non-convex optimization problem, to which we resort to Riemannian optimization schemes and derive an efficient conjugate gradient scheme on the Stiefel manifold. To study the effectiveness of our scheme, we propose a new dataset~Dash-Cam-Pose, consisting of clips with skeleton poses of humans seated in a car, the task being to classify the clips as normal or abnormal; the latter is when any human pose is out-of-position with regard to say an airbag deployment. Our experiments on the proposed Dash-Cam-Pose dataset, as well as several other standard anomaly/novelty detection benchmarks demonstrate the benefits of our scheme, achieving state-of-the-art one-class accuracy.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

Unsupervised reinforcement learning (RL) studies how to leverage environment statistics to learn useful behaviors without the cost of reward engineering. However, a central challenge in unsupervised RL is to extract behaviors that meaningfully affect the world and cover the range of possible outcomes, without getting distracted by inherently unpredictable, uncontrollable, and stochastic elements in the environment. To this end, we propose an unsupervised RL method designed for high-dimensional, stochastic environments based on an adversarial game between two policies (which we call Explore and Control) controlling a single body and competing over the amount of observation entropy the agent experiences. The Explore agent seeks out states that maximally surprise the Control agent, which in turn aims to minimize surprise, and thereby manipulate the environment to return to familiar and predictable states. The competition between these two policies drives them to seek out increasingly surprising parts of the environment while learning to gain mastery over them. We show formally that the resulting algorithm maximizes coverage of the underlying state in block MDPs with stochastic observations, providing theoretical backing to our hypothesis that this procedure avoids uncontrollable and stochastic distractions. Our experiments further demonstrate that Adversarial Surprise leads to the emergence of complex and meaningful skills, and outperforms state-of-the-art unsupervised reinforcement learning methods in terms of both exploration and zero-shot transfer to downstream tasks.

Unsupervised pretraining has been transformative in many supervised domains. However, applying such ideas to reinforcement learning (RL) presents a unique challenge in that fine-tuning does not involve mimicking task-specific data, but rather exploring and locating the solution through iterative self-improvement. In this work, we study how unlabeled prior trajectory data can be leveraged to learn efficient exploration strategies. While prior data can be used to pretrain a set of low-level skills, or as additional off-policy data for online RL, it has been unclear how to combine these ideas effectively for online exploration. Our method SUPE (Skills from Unlabeled Prior data for Exploration) demonstrates that a careful combination of these ideas compounds their benefits. Our method first extracts low-level skills using a variational autoencoder (VAE), and then pseudo-relabels unlabeled trajectories using an optimistic reward model, transforming prior data into high-level, task-relevant examples. Finally, SUPE uses these transformed examples as additional off-policy data for online RL to learn a high-level policy that composes pretrained low-level skills to explore efficiently. We empirically show that SUPE reliably outperforms prior strategies, successfully solving a suite of long-horizon, sparse-reward tasks. Code: https://github.com/rail-berkeley/supe.

Unsupervised learning poses one of the most difficult challenges in computer vision today. The task has an immense practical value with many applications in artificial intelligence and emerging technologies, as large quantities of unlabeled videos can be collected at relatively low cost. In this paper, we address the unsupervised learning problem in the context of detecting the main foreground objects in single images. We train a student deep network to predict the output of a teacher pathway that performs unsupervised object discovery in videos or large image collections. Our approach is different from published methods on unsupervised object discovery. We move the unsupervised learning phase during training time, then at test time we apply the standard feed-forward processing along the student pathway. This strategy has the benefit of allowing increased generalization possibilities during training, while remaining fast at testing. Our unsupervised learning algorithm can run over several generations of student-teacher training. Thus, a group of student networks trained in the first generation collectively create the teacher at the next generation. In experiments our method achieves top results on three current datasets for object discovery in video, unsupervised image segmentation and saliency detection. At test time the proposed system is fast, being one to two orders of magnitude faster than published unsupervised methods.

Unsupervised learning from visual data is one of the most difficult challenges in computer vision, being a fundamental task for understanding how visual recognition works. From a practical point of view, learning from unsupervised visual input has an immense practical value, as very large quantities of unlabeled videos can be collected at low cost. In this paper, we address the task of unsupervised learning to detect and segment foreground objects in single images. We achieve our goal by training a student pathway, consisting of a deep neural network. It learns to predict from a single input image (a video frame) the output for that particular frame, of a teacher pathway that performs unsupervised object discovery in video. Our approach is different from the published literature that performs unsupervised discovery in videos or in collections of images at test time. We move the unsupervised discovery phase during the training stage, while at test time we apply the standard feed-forward processing along the student pathway. This has a dual benefit: firstly, it allows in principle unlimited possibilities of learning and generalization during training, while remaining very fast at testing. Secondly, the student not only becomes able to detect in single images significantly better than its unsupervised video discovery teacher, but it also achieves state of the art results on two important current benchmarks, YouTube Objects and Object Discovery datasets. Moreover, at test time, our system is at least two orders of magnitude faster than other previous methods.

Combining clustering and representation learning is one of the most promising approaches for unsupervised learning of deep neural networks. However, doing so naively leads to ill posed learning problems with degenerate solutions. In this paper, we propose a novel and principled learning formulation that addresses these issues. The method is obtained by maximizing the information between labels and input data indices. We show that this criterion extends standard crossentropy minimization to an optimal transport problem, which we solve efficiently for millions of input images and thousands of labels using a fast variant of the Sinkhorn-Knopp algorithm. The resulting method is able to self-label visual data so as to train highly competitive image representations without manual labels. Our method achieves state of the art representation learning performance for AlexNet and ResNet-50 on SVHN, CIFAR-10, CIFAR-100 and ImageNet and yields the first self-supervised AlexNet that outperforms the supervised Pascal VOC detection baseline. Code and models are available.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

There is a growing interest in developing unlearnable examples (UEs) against visual privacy leaks on the Internet. UEs are training samples added with invisible but unlearnable noise, which have been found can prevent unauthorized training of machine learning models. UEs typically are generated via a bilevel optimization framework with a surrogate model to remove (minimize) errors from the original samples, and then applied to protect the data against unknown target models. However, existing UE generation methods all rely on an ideal assumption called label-consistency, where the hackers and protectors are assumed to hold the same label for a given sample. In this work, we propose and promote a more practical label-agnostic setting, where the hackers may exploit the protected data quite differently from the protectors. E.g., a m-class unlearnable dataset held by the protector may be exploited by the hacker as a n-class dataset. Existing UE generation methods are rendered ineffective in this challenging setting. To tackle this challenge, we present a novel technique called Unlearnable Clusters (UCs) to generate label-agnostic unlearnable examples with cluster-wise perturbations. Furthermore, we propose to leverage VisionandLanguage Pre-trained Models (VLPMs) like CLIP as the surrogate model to improve the transferability of the crafted UCs to diverse domains. We empirically verify the effectiveness of our proposed approach under a variety of settings with different datasets, target models, and even commercial platforms Microsoft Azure and Baidu PaddlePaddle. Code is available at https://github.com/jiamingzhang94/Unlearnable-Clusters.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Contrastive learning (CL) has emerged as a powerful technique for representation learning, with or without label supervision. However, supervised CL is prone to collapsing representations of subclasses within a class by not capturing all their features, and unsupervised CL may suppress harder class-relevant features by focusing on learning easy class-irrelevant features; both significantly compromise representation quality. Yet, there is no theoretical understanding of class collapse or feature suppression at test time. We provide the first unified theoretically rigorous framework to determine which features are learnt by CL. Our analysis indicate that, perhaps surprisingly, bias of (stochastic) gradient descent towards finding simpler solutions is a key factor in collapsing subclass representations and suppressing harder class-relevant features. Moreover, we present increasing embedding dimensionality and improving the quality of data augmentations as two theoretically motivated solutions to {feature suppression}. We also provide the first theoretical explanation for why employing supervised and unsupervised CL together yields higher-quality representations, even when using commonly-used stochastic gradient methods.

In this paper, we study the problem of unsupervised object segmentation from single images. We do not introduce a new algorithm, but systematically investigate the effectiveness of existing unsupervised models on challenging real-world images. We firstly introduce four complexity factors to quantitatively measure the distributions of object- and scene-level biases in appearance and geometry for datasets with human annotations. With the aid of these factors, we empirically find that, not surprisingly, existing unsupervised models catastrophically fail to segment generic objects in real-world images, although they can easily achieve excellent performance on numerous simple synthetic datasets, due to the vast gap in objectness biases between synthetic and real images. By conducting extensive experiments on multiple groups of ablated real-world datasets, we ultimately find that the key factors underlying the colossal failure of existing unsupervised models on real-world images are the challenging distributions of object- and scene-level biases in appearance and geometry. Because of this, the inductive biases introduced in existing unsupervised models can hardly capture the diverse object distributions. Our research results suggest that future work should exploit more explicit objectness biases in the network design.

Unsupervised representation learning with contrastive learning achieved great success. This line of methods duplicate each training batch to construct contrastive pairs, making each training batch and its augmented version forwarded simultaneously and leading to additional computation. We propose a new jigsaw clustering pretext task in this paper, which only needs to forward each training batch itself, and reduces the training cost. Our method makes use of information from both intra- and inter-images, and outperforms previous single-batch based ones by a large margin. It is even comparable to the contrastive learning methods when only half of training batches are used. Our method indicates that multiple batches during training are not necessary, and opens the door for future research of single-batch unsupervised methods. Our models trained on ImageNet datasets achieve state-of-the-art results with linear classification, outperforming previous single-batch methods by 2.6%. Models transferred to COCO datasets outperform MoCo v2 by 0.4% with only half of the training batches. Our pretrained models outperform supervised ImageNet pretrained models on CIFAR-10 and CIFAR-100 datasets by 0.9% and 4.1% respectively. Code is available at https://github.com/Jia-Research-Lab/JigsawClustering

Clustering is a widely used unsupervised learning technique involving an intensive discrete optimization problem. Associative Memory models or AMs are differentiable neural networks defining a recursive dynamical system, which have been integrated with various deep learning architectures. We uncover a novel connection between the AM dynamics and the inherent discrete assignment necessary in clustering to propose a novel unconstrained continuous relaxation of the discrete clustering problem, enabling end-to-end differentiable clustering with AM, dubbed ClAM. Leveraging the pattern completion ability of AMs, we further develop a novel self-supervised clustering loss. Our evaluations on varied datasets demonstrate that ClAM benefits from the self-supervision, and significantly improves upon both the traditional Lloyd's k-means algorithm, and more recent continuous clustering relaxations (by upto 60% in terms of the Silhouette Coefficient).

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

We investigate a general formulation for clustering and transductive few-shot learning, which integrates prototype-based objectives, Laplacian regularization and supervision constraints from a few labeled data points. We propose a concave-convex relaxation of the problem, and derive a computationally efficient block-coordinate bound optimizer, with convergence guarantee. At each iteration,our optimizer computes independent (parallel) updates for each point-to-cluster assignment. Therefore, it could be trivially distributed for large-scale clustering and few-shot tasks. Furthermore, we provides a thorough convergence analysis based on point-to-set maps. Were port comprehensive clustering and few-shot learning experiments over various data sets, showing that our method yields competitive performances, in term of accuracy and optimization quality, while scaling up to large problems. Using standard training on the base classes, without resorting to complex meta-learning and episodic-training strategies, our approach outperforms state-of-the-art few-shot methods by significant margins, across various models, settings and data sets. Surprisingly, we found that even standard clustering procedures (e.g., K-means), which correspond to particular, non-regularized cases of our general model, already achieve competitive performances in comparison to the state-of-the-art in few-shot learning. These surprising results point to the limitations of the current few-shot benchmarks, and question the viability of a large body of convoluted few-shot learning techniques in the recent literature.

We study image segmentation from an information-theoretic perspective, proposing a novel adversarial method that performs unsupervised segmentation by partitioning images into maximally independent sets. More specifically, we group image pixels into foreground and background, with the goal of minimizing predictability of one set from the other. An easily computed loss drives a greedy search process to maximize inpainting error over these partitions. Our method does not involve training deep networks, is computationally cheap, class-agnostic, and even applicable in isolation to a single unlabeled image. Experiments demonstrate that it achieves a new state-of-the-art in unsupervised segmentation quality, while being substantially faster and more general than competing approaches.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

We propose UnMixMatch, a semi-supervised learning framework which can learn effective representations from unconstrained unlabelled data in order to scale up performance. Most existing semi-supervised methods rely on the assumption that labelled and unlabelled samples are drawn from the same distribution, which limits the potential for improvement through the use of free-living unlabeled data. Consequently, the generalizability and scalability of semi-supervised learning are often hindered by this assumption. Our method aims to overcome these constraints and effectively utilize unconstrained unlabelled data in semi-supervised learning. UnMixMatch consists of three main components: a supervised learner with hard augmentations that provides strong regularization, a contrastive consistency regularizer to learn underlying representations from the unlabelled data, and a self-supervised loss to enhance the representations that are learnt from the unlabelled data. We perform extensive experiments on 4 commonly used datasets and demonstrate superior performance over existing semi-supervised methods with a performance boost of 4.79%. Extensive ablation and sensitivity studies show the effectiveness and impact of each of the proposed components of our method.

Contrastive unsupervised learning has recently shown encouraging progress, e.g., in Momentum Contrast (MoCo) and SimCLR. In this note, we verify the effectiveness of two of SimCLR's design improvements by implementing them in the MoCo framework. With simple modifications to MoCo---namely, using an MLP projection head and more data augmentation---we establish stronger baselines that outperform SimCLR and do not require large training batches. We hope this will make state-of-the-art unsupervised learning research more accessible. Code will be made public.

Several unsupervised and self-supervised approaches have been developed in recent years to learn visual features from large-scale unlabeled datasets. Their main drawback however is that these methods are hardly able to recognize visual features of the same object if it is simply rotated or the perspective of the camera changes. To overcome this limitation and at the same time exploit a useful source of supervision, we take into account video object tracks. Following the intuition that two patches in a track should have similar visual representations in a learned feature space, we adopt an unsupervised clustering-based approach and constrain such representations to be labeled as the same category since they likely belong to the same object or object part. Experimental results on two downstream tasks on different datasets demonstrate the effectiveness of our Online Deep Clustering with Video Track Consistency (ODCT) approach compared to prior work, which did not leverage temporal information. In addition we show that exploiting an unsupervised class-agnostic, yet noisy, track generator yields to better accuracy compared to relying on costly and precise track annotations.

For an autonomous agent to fulfill a wide range of user-specified goals at test time, it must be able to learn broadly applicable and general-purpose skill repertoires. Furthermore, to provide the requisite level of generality, these skills must handle raw sensory input such as images. In this paper, we propose an algorithm that acquires such general-purpose skills by combining unsupervised representation learning and reinforcement learning of goal-conditioned policies. Since the particular goals that might be required at test-time are not known in advance, the agent performs a self-supervised "practice" phase where it imagines goals and attempts to achieve them. We learn a visual representation with three distinct purposes: sampling goals for self-supervised practice, providing a structured transformation of raw sensory inputs, and computing a reward signal for goal reaching. We also propose a retroactive goal relabeling scheme to further improve the sample-efficiency of our method. Our off-policy algorithm is efficient enough to learn policies that operate on raw image observations and goals for a real-world robotic system, and substantially outperforms prior techniques.

We present a new methodology for detecting out-of-distribution (OOD) images by utilizing norms of the score estimates at multiple noise scales. A score is defined to be the gradient of the log density with respect to the input data. Our methodology is completely unsupervised and follows a straight forward training scheme. First, we train a deep network to estimate scores for levels of noise. Once trained, we calculate the noisy score estimates for N in-distribution samples and take the L2-norms across the input dimensions (resulting in an NxL matrix). Then we train an auxiliary model (such as a Gaussian Mixture Model) to learn the in-distribution spatial regions in this L-dimensional space. This auxiliary model can now be used to identify points that reside outside the learned space. Despite its simplicity, our experiments show that this methodology significantly outperforms the state-of-the-art in detecting out-of-distribution images. For example, our method can effectively separate CIFAR-10 (inlier) and SVHN (OOD) images, a setting which has been previously shown to be difficult for deep likelihood models.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

Object discovery is a core task in computer vision. While fast progresses have been made in supervised object detection, its unsupervised counterpart remains largely unexplored. With the growth of data volume, the expensive cost of annotations is the major limitation hindering further study. Therefore, discovering objects without annotations has great significance. However, this task seems impractical on still-image or point cloud alone due to the lack of discriminative information. Previous studies underlook the crucial temporal information and constraints naturally behind multi-modal inputs. In this paper, we propose 4D unsupervised object discovery, jointly discovering objects from 4D data -- 3D point clouds and 2D RGB images with temporal information. We present the first practical approach for this task by proposing a ClusterNet on 3D point clouds, which is jointly iteratively optimized with a 2D localization network. Extensive experiments on the large-scale Waymo Open Dataset suggest that the localization network and ClusterNet achieve competitive performance on both class-agnostic 2D object detection and 3D instance segmentation, bridging the gap between unsupervised methods and full supervised ones. Codes and models will be made available at https://github.com/Robertwyq/LSMOL.

Several unsupervised image segmentation approaches have been proposed which eliminate the need for dense manually-annotated segmentation masks; current models separately handle either semantic segmentation (e.g., STEGO) or class-agnostic instance segmentation (e.g., CutLER), but not both (i.e., panoptic segmentation). We propose an Unsupervised Universal Segmentation model (U2Seg) adept at performing various image segmentation tasks -- instance, semantic and panoptic -- using a novel unified framework. U2Seg generates pseudo semantic labels for these segmentation tasks via leveraging self-supervised models followed by clustering; each cluster represents different semantic and/or instance membership of pixels. We then self-train the model on these pseudo semantic labels, yielding substantial performance gains over specialized methods tailored to each task: a +2.6 AP^{box} boost vs. CutLER in unsupervised instance segmentation on COCO and a +7.0 PixelAcc increase (vs. STEGO) in unsupervised semantic segmentation on COCOStuff. Moreover, our method sets up a new baseline for unsupervised panoptic segmentation, which has not been previously explored. U2Seg is also a strong pretrained model for few-shot segmentation, surpassing CutLER by +5.0 AP^{mask} when trained on a low-data regime, e.g., only 1% COCO labels. We hope our simple yet effective method can inspire more research on unsupervised universal image segmentation.

In the realms of computer vision, it is evident that deep neural networks perform better in a supervised setting with a large amount of labeled data. The representations learned with supervision are not only of high quality but also helps the model in enhancing its accuracy. However, the collection and annotation of a large dataset are costly and time-consuming. To avoid the same, there has been a lot of research going on in the field of unsupervised visual representation learning especially in a self-supervised setting. Amongst the recent advancements in self-supervised methods for visual recognition, in SimCLR Chen et al. shows that good quality representations can indeed be learned without explicit supervision. In SimCLR, the authors maximize the similarity of augmentations of the same image and minimize the similarity of augmentations of different images. A linear classifier trained with the representations learned using this approach yields 76.5% top-1 accuracy on the ImageNet ILSVRC-2012 dataset. In this work, we propose that, with the normalized temperature-scaled cross-entropy (NT-Xent) loss function (as used in SimCLR), it is beneficial to not have images of the same category in the same batch. In an unsupervised setting, the information of images pertaining to the same category is missing. We use the latent space representation of a denoising autoencoder trained on the unlabeled dataset and cluster them with k-means to obtain pseudo labels. With this apriori information we batch images, where no two images from the same category are to be found. We report comparable performance enhancements on the CIFAR10 dataset and a subset of the ImageNet dataset. We refer to our method as G-SimCLR.

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safe deployment of deep neural network (DNN) classifiers. While a myriad of methods have focused on improving the performance of OOD detectors, a critical gap remains in interpreting their decisions. We help bridge this gap by providing explanations for OOD detectors based on learned high-level concepts. We first propose two new metrics for assessing the effectiveness of a particular set of concepts for explaining OOD detectors: 1) detection completeness, which quantifies the sufficiency of concepts for explaining an OOD-detector's decisions, and 2) concept separability, which captures the distributional separation between in-distribution and OOD data in the concept space. Based on these metrics, we propose an unsupervised framework for learning a set of concepts that satisfy the desired properties of high detection completeness and concept separability, and demonstrate its effectiveness in providing concept-based explanations for diverse off-the-shelf OOD detectors. We also show how to identify prominent concepts contributing to the detection results, and provide further reasoning about their decisions.

While supervised learning has enabled great progress in many applications, unsupervised learning has not seen such widespread adoption, and remains an important and challenging endeavor for artificial intelligence. In this work, we propose a universal unsupervised learning approach to extract useful representations from high-dimensional data, which we call Contrastive Predictive Coding. The key insight of our model is to learn such representations by predicting the future in latent space by using powerful autoregressive models. We use a probabilistic contrastive loss which induces the latent space to capture information that is maximally useful to predict future samples. It also makes the model tractable by using negative sampling. While most prior work has focused on evaluating representations for a particular modality, we demonstrate that our approach is able to learn useful representations achieving strong performance on four distinct domains: speech, images, text and reinforcement learning in 3D environments.

Unsupervised semantic segmentation aims to achieve high-quality semantic grouping without human-labeled annotations. With the advent of self-supervised pre-training, various frameworks utilize the pre-trained features to train prediction heads for unsupervised dense prediction. However, a significant challenge in this unsupervised setup is determining the appropriate level of clustering required for segmenting concepts. To address it, we propose a novel framework, CAusal Unsupervised Semantic sEgmentation (CAUSE), which leverages insights from causal inference. Specifically, we bridge intervention-oriented approach (i.e., frontdoor adjustment) to define suitable two-step tasks for unsupervised prediction. The first step involves constructing a concept clusterbook as a mediator, which represents possible concept prototypes at different levels of granularity in a discretized form. Then, the mediator establishes an explicit link to the subsequent concept-wise self-supervised learning for pixel-level grouping. Through extensive experiments and analyses on various datasets, we corroborate the effectiveness of CAUSE and achieve state-of-the-art performance in unsupervised semantic segmentation.

What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where we have access to unlabeled data from multiple domains such that the label marginals p_d(y) can shift across domains but the class conditionals p(x|y) do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to p(d|x) suffices to identify p_d(y) and p_d(y|x) up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator p(d|x); (ii) discretize the data by clustering examples in p(d|x) space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered p(y|d) with the discriminator outputs p(d|x) to compute p_d(y|x) ; forall d. With semi-synthetic experiments, we show that our algorithm can leverage domain information to improve upon competitive unsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when feature-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.

A prominent technique for self-supervised representation learning has been to contrast semantically similar and dissimilar pairs of samples. Without access to labels, dissimilar (negative) points are typically taken to be randomly sampled datapoints, implicitly accepting that these points may, in reality, actually have the same label. Perhaps unsurprisingly, we observe that sampling negative examples from truly different labels improves performance, in a synthetic setting where labels are available. Motivated by this observation, we develop a debiased contrastive objective that corrects for the sampling of same-label datapoints, even without knowledge of the true labels. Empirically, the proposed objective consistently outperforms the state-of-the-art for representation learning in vision, language, and reinforcement learning benchmarks. Theoretically, we establish generalization bounds for the downstream classification task.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

Clustering is an unsupervised learning problem that aims to partition unlabelled data points into groups with similar features. Traditional clustering algorithms provide limited insight into the groups they find as their main focus is accuracy and not the interpretability of the group assignments. This has spurred a recent line of work on explainable machine learning for clustering. In this paper we focus on the cluster description problem where, given a dataset and its partition into clusters, the task is to explain the clusters. We introduce a new approach to explain clusters by constructing polyhedra around each cluster while minimizing either the complexity of the resulting polyhedra or the number of features used in the description. We formulate the cluster description problem as an integer program and present a column generation approach to search over an exponential number of candidate half-spaces that can be used to build the polyhedra. To deal with large datasets, we introduce a novel grouping scheme that first forms smaller groups of data points and then builds the polyhedra around the grouped data, a strategy which out-performs simply sub-sampling data. Compared to state of the art cluster description algorithms, our approach is able to achieve competitive interpretability with improved description accuracy.

Many recent methods for unsupervised or self-supervised representation learning train feature extractors by maximizing an estimate of the mutual information (MI) between different views of the data. This comes with several immediate problems: For example, MI is notoriously hard to estimate, and using it as an objective for representation learning may lead to highly entangled representations due to its invariance under arbitrary invertible transformations. Nevertheless, these methods have been repeatedly shown to excel in practice. In this paper we argue, and provide empirical evidence, that the success of these methods cannot be attributed to the properties of MI alone, and that they strongly depend on the inductive bias in both the choice of feature extractor architectures and the parametrization of the employed MI estimators. Finally, we establish a connection to deep metric learning and argue that this interpretation may be a plausible explanation for the success of the recently introduced methods.

Unsupervised contrastive learning has achieved outstanding success, while the mechanism of contrastive loss has been less studied. In this paper, we concentrate on the understanding of the behaviours of unsupervised contrastive loss. We will show that the contrastive loss is a hardness-aware loss function, and the temperature {\tau} controls the strength of penalties on hard negative samples. The previous study has shown that uniformity is a key property of contrastive learning. We build relations between the uniformity and the temperature {\tau} . We will show that uniformity helps the contrastive learning to learn separable features, however excessive pursuit to the uniformity makes the contrastive loss not tolerant to semantically similar samples, which may break the underlying semantic structure and be harmful to the formation of features useful for downstream tasks. This is caused by the inherent defect of the instance discrimination objective. Specifically, instance discrimination objective tries to push all different instances apart, ignoring the underlying relations between samples. Pushing semantically consistent samples apart has no positive effect for acquiring a prior informative to general downstream tasks. A well-designed contrastive loss should have some extents of tolerance to the closeness of semantically similar samples. Therefore, we find that the contrastive loss meets a uniformity-tolerance dilemma, and a good choice of temperature can compromise these two properties properly to both learn separable features and tolerant to semantically similar samples, improving the feature qualities and the downstream performances.

Unsupervised learning methods based on contrastive learning have drawn increasing attention and achieved promising results. Most of them aim to learn representations invariant to instance-level variations, which are provided by different views of the same instance. In this paper, we propose Invariance Propagation to focus on learning representations invariant to category-level variations, which are provided by different instances from the same category. Our method recursively discovers semantically consistent samples residing in the same high-density regions in representation space. We demonstrate a hard sampling strategy to concentrate on maximizing the agreement between the anchor sample and its hard positive samples, which provide more intra-class variations to help capture more abstract invariance. As a result, with a ResNet-50 as the backbone, our method achieves 71.3% top-1 accuracy on ImageNet linear classification and 78.2% top-5 accuracy fine-tuning on only 1% labels, surpassing previous results. We also achieve state-of-the-art performance on other downstream tasks, including linear classification on Places205 and Pascal VOC, and transfer learning on small scale datasets.

This paper proposes an unsupervised method that leverages topological characteristics of data manifolds to estimate class separability of the data without requiring labels. Experiments conducted in this paper on several datasets demonstrate a clear correlation and consistency between the class separability estimated by the proposed method with supervised metrics like Fisher Discriminant Ratio~(FDR) and cross-validation of a classifier, which both require labels. This can enable implementing learning paradigms aimed at learning from both labeled and unlabeled data, like semi-supervised and transductive learning. This would be particularly useful when we have limited labeled data and a relatively large unlabeled dataset that can be used to enhance the learning process. The proposed method is implemented for language model fine-tuning with automated stopping criterion by monitoring class separability of the embedding-space manifold in an unsupervised setting. The proposed methodology has been first validated on synthetic data, where the results show a clear consistency between class separability estimated by the proposed method and class separability computed by FDR. The method has been also implemented on both public and internal data. The results show that the proposed method can effectively aid -- without the need for labels -- a decision on when to stop or continue the fine-tuning of a language model and which fine-tuning iteration is expected to achieve a maximum classification performance through quantification of the class separability of the embedding manifold.

Training a classifier on web-crawled data demands learning algorithms that are robust to annotation errors and irrelevant examples. This paper builds upon the recent empirical observation that applying unsupervised contrastive learning to noisy, web-crawled datasets yields a feature representation under which the in-distribution (ID) and out-of-distribution (OOD) samples are linearly separable. We show that direct estimation of the separating hyperplane can indeed offer an accurate detection of OOD samples, and yet, surprisingly, this detection does not translate into gains in classification accuracy. Digging deeper into this phenomenon, we discover that the near-perfect detection misses a type of clean examples that are valuable for supervised learning. These examples often represent visually simple images, which are relatively easy to identify as clean examples using standard loss- or distance-based methods despite being poorly separated from the OOD distribution using unsupervised learning. Because we further observe a low correlation with SOTA metrics, this urges us to propose a hybrid solution that alternates between noise detection using linear separation and a state-of-the-art (SOTA) small-loss approach. When combined with the SOTA algorithm PLS, we substantially improve SOTA results for real-world image classification in the presence of web noise github.com/PaulAlbert31/LSA

The inability of deep learning models to handle data drawn from unseen distributions has sparked much interest in unsupervised out-of-distribution (U-OOD) detection, as it is crucial for reliable deep learning models. Despite considerable attention, theoretically-motivated approaches are few and far between, with most methods building on top of some form of heuristic. Recently, U-OOD was formalized in the context of data invariants, allowing a clearer understanding of how to characterize U-OOD, and methods leveraging affine invariants have attained state-of-the-art results on large-scale benchmarks. Nevertheless, the restriction to affine invariants hinders the expressiveness of the approach. In this work, we broaden the affine invariants formulation to a more general case and propose a framework consisting of a normalizing flow-like architecture capable of learning non-linear invariants. Our novel approach achieves state-of-the-art results on an extensive U-OOD benchmark, and we demonstrate its further applicability to tabular data. Finally, we show our method has the same desirable properties as those based on affine invariants.

Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.

In this paper, we propose a recurrent framework for Joint Unsupervised LEarning (JULE) of deep representations and image clusters. In our framework, successive operations in a clustering algorithm are expressed as steps in a recurrent process, stacked on top of representations output by a Convolutional Neural Network (CNN). During training, image clusters and representations are updated jointly: image clustering is conducted in the forward pass, while representation learning in the backward pass. Our key idea behind this framework is that good representations are beneficial to image clustering and clustering results provide supervisory signals to representation learning. By integrating two processes into a single model with a unified weighted triplet loss and optimizing it end-to-end, we can obtain not only more powerful representations, but also more precise image clusters. Extensive experiments show that our method outperforms the state-of-the-art on image clustering across a variety of image datasets. Moreover, the learned representations generalize well when transferred to other tasks.

Both online and offline RLHF methods such as PPO and DPO have been extremely successful in aligning AI with human preferences. Despite their success, the existing methods suffer from a fundamental problem that their optimal solution is highly task-dependent (i.e., not robust to out-of-distribution (OOD) tasks). Here we address this challenge by proposing Self-Improving Robust Preference Optimization SRPO, a practical and mathematically principled offline RLHF framework that is completely robust to the changes in the task. The key idea of SRPO is to cast the problem of learning from human preferences as a self-improvement process, which can be mathematically expressed in terms of a min-max objective that aims at joint optimization of self-improvement policy and the generative policy in an adversarial fashion. The solution for this optimization problem is independent of the training task and thus it is robust to its changes. We then show that this objective can be re-expressed in the form of a non-adversarial offline loss which can be optimized using standard supervised optimization techniques at scale without any need for reward model and online inference. We show the effectiveness of SRPO in terms of AI Win-Rate (WR) against human (GOLD) completions. In particular, when SRPO is evaluated on the OOD XSUM dataset, it outperforms the celebrated DPO by a clear margin of 15% after 5 self-revisions, achieving WR of 90%.

Self-predictive unsupervised learning methods such as BYOL or SimSiam have shown impressive results, and counter-intuitively, do not collapse to trivial representations. In this work, we aim at exploring the simplest possible mathematical arguments towards explaining the underlying mechanisms behind self-predictive unsupervised learning. We start with the observation that those methods crucially rely on the presence of a predictor network (and stop-gradient). With simple linear algebra, we show that when using a linear predictor, the optimal predictor is close to an orthogonal projection, and propose a general framework based on orthonormalization that enables to interpret and give intuition on why BYOL works. In addition, this framework demonstrates the crucial role of the exponential moving average and stop-gradient operator in BYOL as an efficient orthonormalization mechanism. We use these insights to propose four new closed-form predictor variants of BYOL to support our analysis. Our closed-form predictors outperform standard linear trainable predictor BYOL at 100 and 300 epochs (top-1 linear accuracy on ImageNet).

In this paper, we address the problem of generalized category discovery (GCD), \ie, given a set of images where part of them are labelled and the rest are not, the task is to automatically cluster the images in the unlabelled data, leveraging the information from the labelled data, while the unlabelled data contain images from the labelled classes and also new ones. GCD is similar to semi-supervised learning (SSL) but is more realistic and challenging, as SSL assumes all the unlabelled images are from the same classes as the labelled ones. We also do not assume the class number in the unlabelled data is known a-priori, making the GCD problem even harder. To tackle the problem of GCD without knowing the class number, we propose an EM-like framework that alternates between representation learning and class number estimation. We propose a semi-supervised variant of the Gaussian Mixture Model (GMM) with a stochastic splitting and merging mechanism to dynamically determine the prototypes by examining the cluster compactness and separability. With these prototypes, we leverage prototypical contrastive learning for representation learning on the partially labelled data subject to the constraints imposed by the labelled data. Our framework alternates between these two steps until convergence. The cluster assignment for an unlabelled instance can then be retrieved by identifying its nearest prototype. We comprehensively evaluate our framework on both generic image classification datasets and challenging fine-grained object recognition datasets, achieving state-of-the-art performance.

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

The Segmentation Anything Model (SAM) requires labor-intensive data labeling. We present Unsupervised SAM (UnSAM) for promptable and automatic whole-image segmentation that does not require human annotations. UnSAM utilizes a divide-and-conquer strategy to "discover" the hierarchical structure of visual scenes. We first leverage top-down clustering methods to partition an unlabeled image into instance/semantic level segments. For all pixels within a segment, a bottom-up clustering method is employed to iteratively merge them into larger groups, thereby forming a hierarchical structure. These unsupervised multi-granular masks are then utilized to supervise model training. Evaluated across seven popular datasets, UnSAM achieves competitive results with the supervised counterpart SAM, and surpasses the previous state-of-the-art in unsupervised segmentation by 11% in terms of AR. Moreover, we show that supervised SAM can also benefit from our self-supervised labels. By integrating our unsupervised pseudo masks into SA-1B's ground-truth masks and training UnSAM with only 1% of SA-1B, a lightly semi-supervised UnSAM can often segment entities overlooked by supervised SAM, exceeding SAM's AR by over 6.7% and AP by 3.9% on SA-1B.

Deep generative models have been demonstrated as state-of-the-art density estimators. Yet, recent work has found that they often assign a higher likelihood to data from outside the training distribution. This seemingly paradoxical behavior has caused concerns over the quality of the attained density estimates. In the context of hierarchical variational autoencoders, we provide evidence to explain this behavior by out-of-distribution data having in-distribution low-level features. We argue that this is both expected and desirable behavior. With this insight in hand, we develop a fast, scalable and fully unsupervised likelihood-ratio score for OOD detection that requires data to be in-distribution across all feature-levels. We benchmark the method on a vast set of data and model combinations and achieve state-of-the-art results on out-of-distribution detection.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

In this paper, we consider a real-world scenario where a model that is trained on pre-defined classes continually encounters unlabeled data that contains both known and novel classes. The goal is to continually discover novel classes while maintaining the performance in known classes. We name the setting Continual Generalized Category Discovery (C-GCD). Existing methods for novel class discovery cannot directly handle the C-GCD setting due to some unrealistic assumptions, such as the unlabeled data only containing novel classes. Furthermore, they fail to discover novel classes in a continual fashion. In this work, we lift all these assumptions and propose an approach, called MetaGCD, to learn how to incrementally discover with less forgetting. Our proposed method uses a meta-learning framework and leverages the offline labeled data to simulate the testing incremental learning process. A meta-objective is defined to revolve around two conflicting learning objectives to achieve novel class discovery without forgetting. Furthermore, a soft neighborhood-based contrastive network is proposed to discriminate uncorrelated images while attracting correlated images. We build strong baselines and conduct extensive experiments on three widely used benchmarks to demonstrate the superiority of our method.

In the field of continual learning, models are designed to learn tasks one after the other. While most research has centered on supervised continual learning, there is a growing interest in unsupervised continual learning, which makes use of the vast amounts of unlabeled data. Recent studies have highlighted the strengths of unsupervised methods, particularly self-supervised learning, in providing robust representations. The improved transferability of those representations built with self-supervised methods is often associated with the role played by the multi-layer perceptron projector. In this work, we depart from this observation and reexamine the role of supervision in continual representation learning. We reckon that additional information, such as human annotations, should not deteriorate the quality of representations. Our findings show that supervised models when enhanced with a multi-layer perceptron head, can outperform self-supervised models in continual representation learning. This highlights the importance of the multi-layer perceptron projector in shaping feature transferability across a sequence of tasks in continual learning. The code is available on github: https://github.com/danielm1405/sl-vs-ssl-cl.

We propose a novel unsupervised object localization method that allows us to explain the predictions of the model by utilizing self-supervised pre-trained models without additional finetuning. Existing unsupervised and self-supervised object localization methods often utilize class-agnostic activation maps or self-similarity maps of a pre-trained model. Although these maps can offer valuable information for localization, their limited ability to explain how the model makes predictions remains challenging. In this paper, we propose a simple yet effective unsupervised object localization method based on representer point selection, where the predictions of the model can be represented as a linear combination of representer values of training points. By selecting representer points, which are the most important examples for the model predictions, our model can provide insights into how the model predicts the foreground object by providing relevant examples as well as their importance. Our method outperforms the state-of-the-art unsupervised and self-supervised object localization methods on various datasets with significant margins and even outperforms recent weakly supervised and few-shot methods.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

This study investigates self-supervised learning techniques to obtain representations of Event Sequences. It is a key modality in various applications, including but not limited to banking, e-commerce, and healthcare. We perform a comprehensive study of generative and contrastive approaches in self-supervised learning, applying them both independently. We find that there is no single supreme method. Consequently, we explore the potential benefits of combining these approaches. To achieve this goal, we introduce a novel method that aligns generative and contrastive embeddings as distinct modalities, drawing inspiration from contemporary multimodal research. Generative and contrastive approaches are often treated as mutually exclusive, leaving a gap for their combined exploration. Our results demonstrate that this aligned model performs at least on par with, and mostly surpasses, existing methods and is more universal across a variety of tasks. Furthermore, we demonstrate that self-supervised methods consistently outperform the supervised approach on our datasets.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

Representations are at the core of all deep reinforcement learning (RL) methods for both Markov decision processes (MDPs) and partially observable Markov decision processes (POMDPs). Many representation learning methods and theoretical frameworks have been developed to understand what constitutes an effective representation. However, the relationships between these methods and the shared properties among them remain unclear. In this paper, we show that many of these seemingly distinct methods and frameworks for state and history abstractions are, in fact, based on a common idea of self-predictive abstraction. Furthermore, we provide theoretical insights into the widely adopted objectives and optimization, such as the stop-gradient technique, in learning self-predictive representations. These findings together yield a minimalist algorithm to learn self-predictive representations for states and histories. We validate our theories by applying our algorithm to standard MDPs, MDPs with distractors, and POMDPs with sparse rewards. These findings culminate in a set of preliminary guidelines for RL practitioners.

Unsupervised visual representation learning remains a largely unsolved problem in computer vision research. Among a big body of recently proposed approaches for unsupervised learning of visual representations, a class of self-supervised techniques achieves superior performance on many challenging benchmarks. A large number of the pretext tasks for self-supervised learning have been studied, but other important aspects, such as the choice of convolutional neural networks (CNN), has not received equal attention. Therefore, we revisit numerous previously proposed self-supervised models, conduct a thorough large scale study and, as a result, uncover multiple crucial insights. We challenge a number of common practices in selfsupervised visual representation learning and observe that standard recipes for CNN design do not always translate to self-supervised representation learning. As part of our study, we drastically boost the performance of previously proposed techniques and outperform previously published state-of-the-art results by a large margin.

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional data. The key insight of VAEs is to learn the latent distribution of data in such a way that new meaningful samples can be generated from it. This approach led to tremendous research and variations in the architectural design of VAEs, nourishing the recent field of research known as unsupervised representation learning. In this article, we provide a comparative evaluation of some of the most successful, recent variations of VAEs. We particularly focus the analysis on the energetic efficiency of the different models, in the spirit of the so called Green AI, aiming both to reduce the carbon footprint and the financial cost of generative techniques. For each architecture we provide its mathematical formulation, the ideas underlying its design, a detailed model description, a running implementation and quantitative results.

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

A vital and rapidly growing application, remote sensing offers vast yet sparsely labeled, spatially aligned multimodal data; this makes self-supervised learning algorithms invaluable. We present CROMA: a framework that combines contrastive and reconstruction self-supervised objectives to learn rich unimodal and multimodal representations. Our method separately encodes masked-out multispectral optical and synthetic aperture radar samples -- aligned in space and time -- and performs cross-modal contrastive learning. Another encoder fuses these sensors, producing joint multimodal encodings that are used to predict the masked patches via a lightweight decoder. We show that these objectives are complementary when leveraged on spatially aligned multimodal data. We also introduce X- and 2D-ALiBi, which spatially biases our cross- and self-attention matrices. These strategies improve representations and allow our models to effectively extrapolate to images up to 17.6x larger at test-time. CROMA outperforms the current SoTA multispectral model, evaluated on: four classification benchmarks -- finetuning (avg. 1.8%), linear (avg. 2.4%) and nonlinear (avg. 1.4%) probing, kNN classification (avg. 3.5%), and K-means clustering (avg. 8.4%); and three segmentation benchmarks (avg. 6.4%). CROMA's rich, optionally multimodal representations can be widely leveraged across remote sensing applications.

Machine unlearning aims to remove information derived from forgotten data while preserving that of the remaining dataset in a well-trained model. With the increasing emphasis on data privacy, several approaches to machine unlearning have emerged. However, these methods typically rely on complete supervision throughout the unlearning process. Unfortunately, obtaining such supervision, whether for the forgetting or remaining data, can be impractical due to the substantial cost associated with annotating real-world datasets. This challenge prompts us to propose a supervision-free unlearning approach that operates without the need for labels during the unlearning process. Specifically, we introduce a variational approach to approximate the distribution of representations for the remaining data. Leveraging this approximation, we adapt the original model to eliminate information from the forgotten data at the representation level. To further address the issue of lacking supervision information, which hinders alignment with ground truth, we introduce a contrastive loss to facilitate the matching of representations between the remaining data and those of the original model, thus preserving predictive performance. Experimental results across various unlearning tasks demonstrate the effectiveness of our proposed method, Label-Agnostic Forgetting (LAF) without using any labels, which achieves comparable performance to state-of-the-art methods that rely on full supervision information. Furthermore, our approach excels in semi-supervised scenarios, leveraging limited supervision information to outperform fully supervised baselines. This work not only showcases the viability of supervision-free unlearning in deep models but also opens up a new possibility for future research in unlearning at the representation level.

Recent empirical works have successfully used unlabeled data to learn feature representations that are broadly useful in downstream classification tasks. Several of these methods are reminiscent of the well-known word2vec embedding algorithm: leveraging availability of pairs of semantically "similar" data points and "negative samples," the learner forces the inner product of representations of similar pairs with each other to be higher on average than with negative samples. The current paper uses the term contrastive learning for such algorithms and presents a theoretical framework for analyzing them by introducing latent classes and hypothesizing that semantically similar points are sampled from the same latent class. This framework allows us to show provable guarantees on the performance of the learned representations on the average classification task that is comprised of a subset of the same set of latent classes. Our generalization bound also shows that learned representations can reduce (labeled) sample complexity on downstream tasks. We conduct controlled experiments in both the text and image domains to support the theory.

Self-supervised pretraining has made few-shot learning possible for many NLP tasks. But the pretraining objectives are not typically adapted specifically for in-context few-shot learning. In this paper, we propose to use self-supervision in an intermediate training stage between pretraining and downstream few-shot usage with the goal to teach the model to perform in-context few shot learning. We propose and evaluate four self-supervised objectives on two benchmarks. We find that the intermediate self-supervision stage produces models that outperform strong baselines. Ablation study shows that several factors affect the downstream performance, such as the amount of training data and the diversity of the self-supervised objectives. Human-annotated cross-task supervision and self-supervision are complementary. Qualitative analysis suggests that the self-supervised-trained models are better at following task requirements.

Over the last years, deep convolutional neural networks (ConvNets) have transformed the field of computer vision thanks to their unparalleled capacity to learn high level semantic image features. However, in order to successfully learn those features, they usually require massive amounts of manually labeled data, which is both expensive and impractical to scale. Therefore, unsupervised semantic feature learning, i.e., learning without requiring manual annotation effort, is of crucial importance in order to successfully harvest the vast amount of visual data that are available today. In our work we propose to learn image features by training ConvNets to recognize the 2d rotation that is applied to the image that it gets as input. We demonstrate both qualitatively and quantitatively that this apparently simple task actually provides a very powerful supervisory signal for semantic feature learning. We exhaustively evaluate our method in various unsupervised feature learning benchmarks and we exhibit in all of them state-of-the-art performance. Specifically, our results on those benchmarks demonstrate dramatic improvements w.r.t. prior state-of-the-art approaches in unsupervised representation learning and thus significantly close the gap with supervised feature learning. For instance, in PASCAL VOC 2007 detection task our unsupervised pre-trained AlexNet model achieves the state-of-the-art (among unsupervised methods) mAP of 54.4% that is only 2.4 points lower from the supervised case. We get similarly striking results when we transfer our unsupervised learned features on various other tasks, such as ImageNet classification, PASCAL classification, PASCAL segmentation, and CIFAR-10 classification. The code and models of our paper will be published on: https://github.com/gidariss/FeatureLearningRotNet .

In multi-document summarization (MDS), the input is a cluster of documents, and the output is the cluster summary. In this paper, we focus on pretraining objectives for MDS. Specifically, we introduce a simple pretraining objective of choosing the ROUGE-based centroid of each document cluster as a proxy for its summary. Our objective thus does not require human written summaries and can be used for pretraining on a dataset containing only clusters of documents. Through zero-shot and fully supervised experiments on multiple MDS datasets, we show that our model Centrum is better or comparable to a state-of-the-art model. We release our pretrained and finetuned models at https://github.com/ratishsp/centrum.

In self-supervised learning, a system is tasked with achieving a surrogate objective by defining alternative targets on a set of unlabeled data. The aim is to build useful representations that can be used in downstream tasks, without costly manual annotation. In this work, we propose a novel self-supervised formulation of relational reasoning that allows a learner to bootstrap a signal from information implicit in unlabeled data. Training a relation head to discriminate how entities relate to themselves (intra-reasoning) and other entities (inter-reasoning), results in rich and descriptive representations in the underlying neural network backbone, which can be used in downstream tasks such as classification and image retrieval. We evaluate the proposed method following a rigorous experimental procedure, using standard datasets, protocols, and backbones. Self-supervised relational reasoning outperforms the best competitor in all conditions by an average 14% in accuracy, and the most recent state-of-the-art model by 3%. We link the effectiveness of the method to the maximization of a Bernoulli log-likelihood, which can be considered as a proxy for maximizing the mutual information, resulting in a more efficient objective with respect to the commonly used contrastive losses.

Dataset distillation methods have achieved remarkable success in distilling a large dataset into a small set of representative samples. However, they are not designed to produce a distilled dataset that can be effectively used for facilitating self-supervised pre-training. To this end, we propose a novel problem of distilling an unlabeled dataset into a set of small synthetic samples for efficient self-supervised learning (SSL). We first prove that a gradient of synthetic samples with respect to a SSL objective in naive bilevel optimization is biased due to the randomness originating from data augmentations or masking. To address this issue, we propose to minimize the mean squared error (MSE) between a model's representations of the synthetic examples and their corresponding learnable target feature representations for the inner objective, which does not introduce any randomness. Our primary motivation is that the model obtained by the proposed inner optimization can mimic the self-supervised target model. To achieve this, we also introduce the MSE between representations of the inner model and the self-supervised target model on the original full dataset for outer optimization. Lastly, assuming that a feature extractor is fixed, we only optimize a linear head on top of the feature extractor, which allows us to reduce the computational cost and obtain a closed-form solution of the head with kernel ridge regression. We empirically validate the effectiveness of our method on various applications involving transfer learning.

The advent of large pre-trained models has brought about a paradigm shift in both visual representation learning and natural language processing. However, clustering unlabeled images, as a fundamental and classic machine learning problem, still lacks an effective solution, particularly for large-scale datasets. In this paper, we propose a novel image clustering pipeline that leverages the powerful feature representation of large pre-trained models such as CLIP and cluster images effectively and efficiently at scale. We first developed a novel algorithm to estimate the number of clusters in a given dataset. We then show that the pre-trained features are significantly more structured by further optimizing the rate reduction objective. The resulting features may significantly improve the clustering accuracy, e.g., from 57% to 66% on ImageNet-1k. Furthermore, by leveraging CLIP's multimodality bridge between image and text, we develop a simple yet effective self-labeling algorithm that produces meaningful text labels for the clusters. Through extensive experiments, we show that our pipeline works well on standard datasets such as CIFAR-10, CIFAR-100, and ImageNet-1k. It also extends to datasets without predefined labels, such as LAION-Aesthetics and WikiArts. We released the code in https://github.com/LeslieTrue/CPP.

Controlling artificial agents from visual sensory data is an arduous task. Reinforcement learning (RL) algorithms can succeed but require large amounts of interactions between the agent and the environment. To alleviate the issue, unsupervised RL proposes to employ self-supervised interaction and learning, for adapting faster to future tasks. Yet, as shown in the Unsupervised RL Benchmark (URLB; Laskin et al. 2021), whether current unsupervised strategies can improve generalization capabilities is still unclear, especially in visual control settings. In this work, we study the URLB and propose a new method to solve it, using unsupervised model-based RL, for pre-training the agent, and a task-aware fine-tuning strategy combined with a new proposed hybrid planner, Dyna-MPC, to adapt the agent for downstream tasks. On URLB, our method obtains 93.59% overall normalized performance, surpassing previous baselines by a staggering margin. The approach is empirically evaluated through a large-scale empirical study, which we use to validate our design choices and analyze our models. We also show robust performance on the Real-Word RL benchmark, hinting at resiliency to environment perturbations during adaptation. Project website: https://masteringurlb.github.io/

Pairwise clustering, in general, partitions a set of items via a known similarity function. In our treatment, clustering is modeled as a transductive prediction problem. Thus rather than beginning with a known similarity function, the function instead is hidden and the learner only receives a random sample consisting of a subset of the pairwise similarities. An additional set of pairwise side-information may be given to the learner, which then determines the inductive bias of our algorithms. We measure performance not based on the recovery of the hidden similarity function, but instead on how well we classify each item. We give tight bounds on the number of misclassifications. We provide two algorithms. The first algorithm SACA is a simple agglomerative clustering algorithm which runs in near linear time, and which serves as a baseline for our analyses. Whereas the second algorithm, RGCA, enables the incorporation of side-information which may lead to improved bounds at the cost of a longer running time.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

Two challenges are presented when parsing road scenes in UAV images. First, the high resolution of UAV images makes processing difficult. Second, supervised deep learning methods require a large amount of manual annotations to train robust and accurate models. In this paper, an unsupervised road parsing framework that leverages recent advances in vision language models and fundamental computer vision model is introduced.Initially, a vision language model is employed to efficiently process ultra-large resolution UAV images to quickly detect road regions of interest in the images. Subsequently, the vision foundation model SAM is utilized to generate masks for the road regions without category information. Following that, a self-supervised representation learning network extracts feature representations from all masked regions. Finally, an unsupervised clustering algorithm is applied to cluster these feature representations and assign IDs to each cluster. The masked regions are combined with the corresponding IDs to generate initial pseudo-labels, which initiate an iterative self-training process for regular semantic segmentation. The proposed method achieves an impressive 89.96% mIoU on the development dataset without relying on any manual annotation. Particularly noteworthy is the extraordinary flexibility of the proposed method, which even goes beyond the limitations of human-defined categories and is able to acquire knowledge of new categories from the dataset itself.

Unsupervised out-of-distribution detection (OOD) seeks to identify out-of-domain data by learning only from unlabeled in-domain data. We present a novel approach for this task - Lift, Map, Detect (LMD) - that leverages recent advancement in diffusion models. Diffusion models are one type of generative models. At their core, they learn an iterative denoising process that gradually maps a noisy image closer to their training manifolds. LMD leverages this intuition for OOD detection. Specifically, LMD lifts an image off its original manifold by corrupting it, and maps it towards the in-domain manifold with a diffusion model. For an out-of-domain image, the mapped image would have a large distance away from its original manifold, and LMD would identify it as OOD accordingly. We show through extensive experiments that LMD achieves competitive performance across a broad variety of datasets.

Deep supervised learning has achieved great success in the last decade. However, its deficiencies of dependence on manual labels and vulnerability to attacks have driven people to explore a better solution. As an alternative, self-supervised learning attracts many researchers for its soaring performance on representation learning in the last several years. Self-supervised representation learning leverages input data itself as supervision and benefits almost all types of downstream tasks. In this survey, we take a look into new self-supervised learning methods for representation in computer vision, natural language processing, and graph learning. We comprehensively review the existing empirical methods and summarize them into three main categories according to their objectives: generative, contrastive, and generative-contrastive (adversarial). We further investigate related theoretical analysis work to provide deeper thoughts on how self-supervised learning works. Finally, we briefly discuss open problems and future directions for self-supervised learning. An outline slide for the survey is provided.

State representation learning, or the ability to capture latent generative factors of an environment, is crucial for building intelligent agents that can perform a wide variety of tasks. Learning such representations without supervision from rewards is a challenging open problem. We introduce a method that learns state representations by maximizing mutual information across spatially and temporally distinct features of a neural encoder of the observations. We also introduce a new benchmark based on Atari 2600 games where we evaluate representations based on how well they capture the ground truth state variables. We believe this new framework for evaluating representation learning models will be crucial for future representation learning research. Finally, we compare our technique with other state-of-the-art generative and contrastive representation learning methods. The code associated with this work is available at https://github.com/mila-iqia/atari-representation-learning

Unsupervised semantic segmentation is a long-standing challenge in computer vision with great significance. Spectral clustering is a theoretically grounded solution to it where the spectral embeddings for pixels are computed to construct distinct clusters. Despite recent progress in enhancing spectral clustering with powerful pre-trained models, current approaches still suffer from inefficiencies in spectral decomposition and inflexibility in applying them to the test data. This work addresses these issues by casting spectral clustering as a parametric approach that employs neural network-based eigenfunctions to produce spectral embeddings. The outputs of the neural eigenfunctions are further restricted to discrete vectors that indicate clustering assignments directly. As a result, an end-to-end NN-based paradigm of spectral clustering emerges. In practice, the neural eigenfunctions are lightweight and take the features from pre-trained models as inputs, improving training efficiency and unleashing the potential of pre-trained models for dense prediction. We conduct extensive empirical studies to validate the effectiveness of our approach and observe significant performance gains over competitive baselines on Pascal Context, Cityscapes, and ADE20K benchmarks.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

This paper introduces AIM, a collection of vision models pre-trained with an autoregressive objective. These models are inspired by their textual counterparts, i.e., Large Language Models (LLMs), and exhibit similar scaling properties. Specifically, we highlight two key findings: (1) the performance of the visual features scale with both the model capacity and the quantity of data, (2) the value of the objective function correlates with the performance of the model on downstream tasks. We illustrate the practical implication of these findings by pre-training a 7 billion parameter AIM on 2 billion images, that achieves 84.0% on ImageNet-1k with a frozen trunk. Interestingly, even at this scale, we observe no sign of saturation in performance, suggesting that AIM potentially represents a new frontier for training large-scale vision models. The pre-training of AIM is similar to the pre-training of LLMs, and does not require any image-specific strategy to stabilize the training at scale.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

We introduce a Parametric Information Maximization (PIM) model for the Generalized Category Discovery (GCD) problem. Specifically, we propose a bi-level optimization formulation, which explores a parameterized family of objective functions, each evaluating a weighted mutual information between the features and the latent labels, subject to supervision constraints from the labeled samples. Our formulation mitigates the class-balance bias encoded in standard information maximization approaches, thereby handling effectively both short-tailed and long-tailed data sets. We report extensive experiments and comparisons demonstrating that our PIM model consistently sets new state-of-the-art performances in GCD across six different datasets, more so when dealing with challenging fine-grained problems.

Learning compositional representation is a key aspect of object-centric learning as it enables flexible systematic generalization and supports complex visual reasoning. However, most of the existing approaches rely on auto-encoding objective, while the compositionality is implicitly imposed by the architectural or algorithmic bias in the encoder. This misalignment between auto-encoding objective and learning compositionality often results in failure of capturing meaningful object representations. In this study, we propose a novel objective that explicitly encourages compositionality of the representations. Built upon the existing object-centric learning framework (e.g., slot attention), our method incorporates additional constraints that an arbitrary mixture of object representations from two images should be valid by maximizing the likelihood of the composite data. We demonstrate that incorporating our objective to the existing framework consistently improves the objective-centric learning and enhances the robustness to the architectural choices.

Localizing objects in image collections without supervision can help to avoid expensive annotation campaigns. We propose a simple approach to this problem, that leverages the activation features of a vision transformer pre-trained in a self-supervised manner. Our method, LOST, does not require any external object proposal nor any exploration of the image collection; it operates on a single image. Yet, we outperform state-of-the-art object discovery methods by up to 8 CorLoc points on PASCAL VOC 2012. We also show that training a class-agnostic detector on the discovered objects boosts results by another 7 points. Moreover, we show promising results on the unsupervised object discovery task. The code to reproduce our results can be found at https://github.com/valeoai/LOST.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Unsupervised anomaly detection and localization, as of one the most practical and challenging problems in computer vision, has received great attention in recent years. From the time the MVTec AD dataset was proposed to the present, new research methods that are constantly being proposed push its precision to saturation. It is the time to conduct a comprehensive comparison of existing methods to inspire further research. This paper extensively compares 13 papers in terms of the performance in unsupervised anomaly detection and localization tasks, and adds a comparison of inference efficiency previously ignored by the community. Meanwhile, analysis of the MVTec AD dataset are also given, especially the label ambiguity that affects the model fails to achieve full marks. Moreover, considering the proposal of the new MVTec 3D-AD dataset, this paper also conducts experiments using the existing state-of-the-art 2D methods on this new dataset, and reports the corresponding results with analysis.

Unsupervised domain adaption (UDA) aims to adapt models learned from a well-annotated source domain to a target domain, where only unlabeled samples are given. Current UDA approaches learn domain-invariant features by aligning source and target feature spaces. Such alignments are imposed by constraints such as statistical discrepancy minimization or adversarial training. However, these constraints could lead to the distortion of semantic feature structures and loss of class discriminability. In this paper, we introduce a novel prompt learning paradigm for UDA, named Domain Adaptation via Prompt Learning (DAPL). In contrast to prior works, our approach makes use of pre-trained vision-language models and optimizes only very few parameters. The main idea is to embed domain information into prompts, a form of representations generated from natural language, which is then used to perform classification. This domain information is shared only by images from the same domain, thereby dynamically adapting the classifier according to each domain. By adopting this paradigm, we show that our model not only outperforms previous methods on several cross-domain benchmarks but also is very efficient to train and easy to implement.

Data augmentation is a crucial component in unsupervised contrastive learning (CL). It determines how positive samples are defined and, ultimately, the quality of the learned representation. In this work, we open the door to new perspectives for CL by integrating prior knowledge, given either by generative models -- viewed as prior representations -- or weak attributes in the positive and negative sampling. To this end, we use kernel theory to propose a novel loss, called decoupled uniformity, that i) allows the integration of prior knowledge and ii) removes the negative-positive coupling in the original InfoNCE loss. We draw a connection between contrastive learning and conditional mean embedding theory to derive tight bounds on the downstream classification loss. In an unsupervised setting, we empirically demonstrate that CL benefits from generative models to improve its representation both on natural and medical images. In a weakly supervised scenario, our framework outperforms other unconditional and conditional CL approaches.

Learning from preference labels plays a crucial role in fine-tuning large language models. There are several distinct approaches for preference fine-tuning, including supervised learning, on-policy reinforcement learning (RL), and contrastive learning. Different methods come with different implementation tradeoffs and performance differences, and existing empirical findings present different conclusions, for instance, some results show that online RL is quite important to attain good fine-tuning results, while others find (offline) contrastive or even purely supervised methods sufficient. This raises a natural question: what kind of approaches are important for fine-tuning with preference data and why? In this paper, we answer this question by performing a rigorous analysis of a number of fine-tuning techniques on didactic and full-scale LLM problems. Our main finding is that, in general, approaches that use on-policy sampling or attempt to push down the likelihood on certain responses (i.e., employ a "negative gradient") outperform offline and maximum likelihood objectives. We conceptualize our insights and unify methods that use on-policy sampling or negative gradient under a notion of mode-seeking objectives for categorical distributions. Mode-seeking objectives are able to alter probability mass on specific bins of a categorical distribution at a fast rate compared to maximum likelihood, allowing them to relocate masses across bins more effectively. Our analysis prescribes actionable insights for preference fine-tuning of LLMs and informs how data should be collected for maximal improvement.

Disentangling model activations into meaningful features is a central problem in interpretability. However, the absence of ground-truth for these features in realistic scenarios makes validating recent approaches, such as sparse dictionary learning, elusive. To address this challenge, we propose a framework for evaluating feature dictionaries in the context of specific tasks, by comparing them against supervised feature dictionaries. First, we demonstrate that supervised dictionaries achieve excellent approximation, control, and interpretability of model computations on the task. Second, we use the supervised dictionaries to develop and contextualize evaluations of unsupervised dictionaries along the same three axes. We apply this framework to the indirect object identification (IOI) task using GPT-2 Small, with sparse autoencoders (SAEs) trained on either the IOI or OpenWebText datasets. We find that these SAEs capture interpretable features for the IOI task, but they are less successful than supervised features in controlling the model. Finally, we observe two qualitative phenomena in SAE training: feature occlusion (where a causally relevant concept is robustly overshadowed by even slightly higher-magnitude ones in the learned features), and feature over-splitting (where binary features split into many smaller, less interpretable features). We hope that our framework will provide a useful step towards more objective and grounded evaluations of sparse dictionary learning methods.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

The success of automated medical image analysis depends on large-scale and expert-annotated training sets. Unsupervised domain adaptation (UDA) has been raised as a promising approach to alleviate the burden of labeled data collection. However, they generally operate under the closed-set adaptation setting assuming an identical label set between the source and target domains, which is over-restrictive in clinical practice where new classes commonly exist across datasets due to taxonomic inconsistency. While several methods have been presented to tackle both domain shifts and incoherent label sets, none of them take into account the common characteristics of the two issues and consider the learning dynamics along network training. In this work, we propose optimization trajectory distillation, a unified approach to address the two technical challenges from a new perspective. It exploits the low-rank nature of gradient space and devises a dual-stream distillation algorithm to regularize the learning dynamics of insufficiently annotated domain and classes with the external guidance obtained from reliable sources. Our approach resolves the issue of inadequate navigation along network optimization, which is the major obstacle in the taxonomy adaptive cross-domain adaptation scenario. We evaluate the proposed method extensively on several tasks towards various endpoints with clinical and open-world significance. The results demonstrate its effectiveness and improvements over previous methods.

The Canonical Correlation Analysis (CCA) family of methods is foundational in multiview learning. Regularised linear CCA methods can be seen to generalise Partial Least Squares (PLS) and be unified with a Generalized Eigenvalue Problem (GEP) framework. However, classical algorithms for these linear methods are computationally infeasible for large-scale data. Extensions to Deep CCA show great promise, but current training procedures are slow and complicated. First we propose a novel unconstrained objective that characterizes the top subspace of GEPs. Our core contribution is a family of fast algorithms for stochastic PLS, stochastic CCA, and Deep CCA, simply obtained by applying stochastic gradient descent (SGD) to the corresponding CCA objectives. Our algorithms show far faster convergence and recover higher correlations than the previous state-of-the-art on all standard CCA and Deep CCA benchmarks. These improvements allow us to perform a first-of-its-kind PLS analysis of an extremely large biomedical dataset from the UK Biobank, with over 33,000 individuals and 500,000 features. Finally, we apply our algorithms to match the performance of `CCA-family' Self-Supervised Learning (SSL) methods on CIFAR-10 and CIFAR-100 with minimal hyper-parameter tuning, and also present theory to clarify the links between these methods and classical CCA, laying the groundwork for future insights.

A number of different architectures and loss functions have been applied to the problem of self-supervised learning (SSL), with the goal of developing embeddings that provide the best possible pre-training for as-yet-unknown, lightly supervised downstream tasks. One of these SSL criteria is to maximize the entropy of a set of embeddings in some compact space. But the goal of maximizing the embedding entropy often depends--whether explicitly or implicitly--upon high dimensional entropy estimates, which typically perform poorly in more than a few dimensions. In this paper, we motivate an effective entropy maximization criterion (E2MC), defined in terms of easy-to-estimate, low-dimensional constraints. We demonstrate that using it to continue training an already-trained SSL model for only a handful of epochs leads to a consistent and, in some cases, significant improvement in downstream performance. We perform careful ablation studies to show that the improved performance is due to the proposed add-on criterion. We also show that continued pre-training with alternative criteria does not lead to notable improvements, and in some cases, even degrades performance.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

Sparse coding, which refers to modeling a signal as sparse linear combinations of the elements of a learned dictionary, has proven to be a successful (and interpretable) approach in applications such as signal processing, computer vision, and medical imaging. While this success has spurred much work on provable guarantees for dictionary recovery when the learned dictionary is the same size as the ground-truth dictionary, work on the setting where the learned dictionary is larger (or over-realized) with respect to the ground truth is comparatively nascent. Existing theoretical results in this setting have been constrained to the case of noise-less data. We show in this work that, in the presence of noise, minimizing the standard dictionary learning objective can fail to recover the elements of the ground-truth dictionary in the over-realized regime, regardless of the magnitude of the signal in the data-generating process. Furthermore, drawing from the growing body of work on self-supervised learning, we propose a novel masking objective for which recovering the ground-truth dictionary is in fact optimal as the signal increases for a large class of data-generating processes. We corroborate our theoretical results with experiments across several parameter regimes showing that our proposed objective also enjoys better empirical performance than the standard reconstruction objective.

Unsupervised disentanglement is a long-standing challenge in representation learning. Recently, self-supervised techniques achieved impressive results in the sequential setting, where data is time-dependent. However, the latter methods employ modality-based data augmentations and random sampling or solve auxiliary tasks. In this work, we propose to avoid that by generating, sampling, and comparing empirical distributions from the underlying variational model. Unlike existing work, we introduce a self-supervised sequential disentanglement framework based on contrastive estimation with no external signals, while using common batch sizes and samples from the latent space itself. In practice, we propose a unified, efficient, and easy-to-code sampling strategy for semantically similar and dissimilar views of the data. We evaluate our approach on video, audio, and time series benchmarks. Our method presents state-of-the-art results in comparison to existing techniques. The code is available at https://github.com/azencot-group/SPYL.

We develop a novel method for carrying out model selection for Bayesian autoencoders (BAEs) by means of prior hyper-parameter optimization. Inspired by the common practice of type-II maximum likelihood optimization and its equivalence to Kullback-Leibler divergence minimization, we propose to optimize the distributional sliced-Wasserstein distance (DSWD) between the output of the autoencoder and the empirical data distribution. The advantages of this formulation are that we can estimate the DSWD based on samples and handle high-dimensional problems. We carry out posterior estimation of the BAE parameters via stochastic gradient Hamiltonian Monte Carlo and turn our BAE into a generative model by fitting a flexible Dirichlet mixture model in the latent space. Consequently, we obtain a powerful alternative to variational autoencoders, which are the preferred choice in modern applications of autoencoders for representation learning with uncertainty. We evaluate our approach qualitatively and quantitatively using a vast experimental campaign on a number of unsupervised learning tasks and show that, in small-data regimes where priors matter, our approach provides state-of-the-art results, outperforming multiple competitive baselines.

Nearest neighbour based methods have proved to be one of the most successful self-supervised learning (SSL) approaches due to their high generalization capabilities. However, their computational efficiency decreases when more than one neighbour is used. In this paper, we propose a novel contrastive SSL approach, which we call All4One, that reduces the distance between neighbour representations using ''centroids'' created through a self-attention mechanism. We use a Centroid Contrasting objective along with single Neighbour Contrasting and Feature Contrasting objectives. Centroids help in learning contextual information from multiple neighbours whereas the neighbour contrast enables learning representations directly from the neighbours and the feature contrast allows learning representations unique to the features. This combination enables All4One to outperform popular instance discrimination approaches by more than 1% on linear classification evaluation for popular benchmark datasets and obtains state-of-the-art (SoTA) results. Finally, we show that All4One is robust towards embedding dimensionalities and augmentations, surpassing NNCLR and Barlow Twins by more than 5% on low dimensionality and weak augmentation settings. The source code would be made available soon.

Recently, unsupervised representation learning (URL) has improved the sample efficiency of Reinforcement Learning (RL) by pretraining a model from a large unlabeled dataset. The underlying principle of these methods is to learn temporally predictive representations by predicting future states in the latent space. However, an important challenge of this approach is the representational collapse, where the subspace of the latent representations collapses into a low-dimensional manifold. To address this issue, we propose a novel URL framework that causally predicts future states while increasing the dimension of the latent manifold by decorrelating the features in the latent space. Through extensive empirical studies, we demonstrate that our framework effectively learns predictive representations without collapse, which significantly improves the sample efficiency of state-of-the-art URL methods on the Atari 100k benchmark. The code is available at https://github.com/dojeon-ai/SimTPR.

Recently, dense contrastive learning has shown superior performance on dense prediction tasks compared to instance-level contrastive learning. Despite its supremacy, the properties of dense contrastive representations have not yet been carefully studied. Therefore, we analyze the theoretical ideas of dense contrastive learning using a standard CNN and straightforward feature matching scheme rather than propose a new complex method. Inspired by the analysis of the properties of instance-level contrastive representations through the lens of alignment and uniformity on the hypersphere, we employ and extend the same lens for the dense contrastive representations to analyze their underexplored properties. We discover the core principle in constructing a positive pair of dense features and empirically proved its validity. Also, we introduces a new scalar metric that summarizes the correlation between alignment-and-uniformity and downstream performance. Using this metric, we study various facets of densely learned contrastive representations such as how the correlation changes over single- and multi-object datasets or linear evaluation and dense prediction tasks. The source code is publicly available at: https://github.com/SuperSupermoon/DenseCL-analysis

We propose a new method for count-based exploration in high-dimensional state spaces. Unlike previous work which relies on density models, we show that counts can be derived by averaging samples from the Rademacher distribution (or coin flips). This insight is used to set up a simple supervised learning objective which, when optimized, yields a state's visitation count. We show that our method is significantly more effective at deducing ground-truth visitation counts than previous work; when used as an exploration bonus for a model-free reinforcement learning algorithm, it outperforms existing approaches on most of 9 challenging exploration tasks, including the Atari game Montezuma's Revenge.

We investigate the construction of latent spaces through self-supervised learning to support semantically meaningful operations. Analogous to operational amplifiers, these "operational latent spaces" (OpLaS) not only demonstrate semantic structure such as clustering but also support common transformational operations with inherent semantic meaning. Some operational latent spaces are found to have arisen "unintentionally" in the progress toward some (other) self-supervised learning objective, in which unintended but still useful properties are discovered among the relationships of points in the space. Other spaces may be constructed "intentionally" by developers stipulating certain kinds of clustering or transformations intended to produce the desired structure. We focus on the intentional creation of operational latent spaces via self-supervised learning, including the introduction of rotation operators via a novel "FiLMR" layer, which can be used to enable ring-like symmetries found in some musical constructions.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

In this paper, we consider the task of retrieving documents with predefined topics from an unlabeled document dataset using an unsupervised approach. The proposed unsupervised approach requires only a small number of keywords describing the respective topics and no labeled document. Existing approaches either heavily relied on a large amount of additionally encoded world knowledge or on term-document frequencies. Contrariwise, we introduce a method that learns jointly embedded document and word vectors solely from the unlabeled document dataset in order to find documents that are semantically similar to the topics described by the keywords. The proposed method requires almost no text preprocessing but is simultaneously effective at retrieving relevant documents with high probability. When successively retrieving documents on different predefined topics from publicly available and commonly used datasets, we achieved an average area under the receiver operating characteristic curve value of 0.95 on one dataset and 0.92 on another. Further, our method can be used for multiclass document classification, without the need to assign labels to the dataset in advance. Compared with an unsupervised classification baseline, we increased F1 scores from 76.6 to 82.7 and from 61.0 to 75.1 on the respective datasets. For easy replication of our approach, we make the developed Lbl2Vec code publicly available as a ready-to-use tool under the 3-Clause BSD license.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

Unsupervised anomaly detection (UAD) aims to find anomalous images by optimising a detector using a training set that contains only normal images. UAD approaches can be based on reconstruction methods, self-supervised approaches, and Imagenet pre-trained models. Reconstruction methods, which detect anomalies from image reconstruction errors, are advantageous because they do not rely on the design of problem-specific pretext tasks needed by self-supervised approaches, and on the unreliable translation of models pre-trained from non-medical datasets. However, reconstruction methods may fail because they can have low reconstruction errors even for anomalous images. In this paper, we introduce a new reconstruction-based UAD approach that addresses this low-reconstruction error issue for anomalous images. Our UAD approach, the memory-augmented multi-level cross-attentional masked autoencoder (MemMC-MAE), is a transformer-based approach, consisting of a novel memory-augmented self-attention operator for the encoder and a new multi-level cross-attention operator for the decoder. MemMCMAE masks large parts of the input image during its reconstruction, reducing the risk that it will produce low reconstruction errors because anomalies are likely to be masked and cannot be reconstructed. However, when the anomaly is not masked, then the normal patterns stored in the encoder's memory combined with the decoder's multi-level cross attention will constrain the accurate reconstruction of the anomaly. We show that our method achieves SOTA anomaly detection and localisation on colonoscopy, pneumonia, and covid-19 chest x-ray datasets.

Self-supervised learning is an empirically successful approach to unsupervised learning based on creating artificial supervised learning problems. A popular self-supervised approach to representation learning is contrastive learning, which leverages naturally occurring pairs of similar and dissimilar data points, or multiple views of the same data. This work provides a theoretical analysis of contrastive learning in the multi-view setting, where two views of each datum are available. The main result is that linear functions of the learned representations are nearly optimal on downstream prediction tasks whenever the two views provide redundant information about the label.

Recent developments in representational learning for information retrieval can be organized in a conceptual framework that establishes two pairs of contrasts: sparse vs. dense representations and unsupervised vs. learned representations. Sparse learned representations can further be decomposed into expansion and term weighting components. This framework allows us to understand the relationship between recently proposed techniques such as DPR, ANCE, DeepCT, DeepImpact, and COIL, and furthermore, gaps revealed by our analysis point to "low hanging fruit" in terms of techniques that have yet to be explored. We present a novel technique dubbed "uniCOIL", a simple extension of COIL that achieves to our knowledge the current state-of-the-art in sparse retrieval on the popular MS MARCO passage ranking dataset. Our implementation using the Anserini IR toolkit is built on the Lucene search library and thus fully compatible with standard inverted indexes.

Traditionally, algorithms that learn to segment object instances in 2D images have heavily relied on large amounts of human-annotated data. Only recently, novel approaches have emerged tackling this problem in an unsupervised fashion. Generally, these approaches first generate pseudo-masks and then train a class-agnostic detector. While such methods deliver the current state of the art, they often fail to correctly separate instances overlapping in 2D image space since only semantics are considered. To tackle this issue, we instead propose to cut the semantic masks in 3D to obtain the final 2D instances by utilizing a point cloud representation of the scene. Furthermore, we derive a Spatial Importance function, which we use to resharpen the semantics along the 3D borders of instances. Nevertheless, these pseudo-masks are still subject to mask ambiguity. To address this issue, we further propose to augment the training of a class-agnostic detector with three Spatial Confidence components aiming to isolate a clean learning signal. With these contributions, our approach outperforms competing methods across multiple standard benchmarks for unsupervised instance segmentation and object detection.

Unsupervised 3D instance segmentation aims to segment objects from a 3D point cloud without any annotations. Existing methods face the challenge of either too loose or too tight clustering, leading to under-segmentation or over-segmentation. To address this issue, we propose Part2Object, hierarchical clustering with object guidance. Part2Object employs multi-layer clustering from points to object parts and objects, allowing objects to manifest at any layer. Additionally, it extracts and utilizes 3D objectness priors from temporally consecutive 2D RGB frames to guide the clustering process. Moreover, we propose Hi-Mask3D to support hierarchical 3D object part and instance segmentation. By training Hi-Mask3D on the objects and object parts extracted from Part2Object, we achieve consistent and superior performance compared to state-of-the-art models in various settings, including unsupervised instance segmentation, data-efficient fine-tuning, and cross-dataset generalization. Code is release at https://github.com/ChengShiest/Part2Object

Recently, it is shown that deploying a proper self-supervision is a prospective way to enhance the performance of supervised learning. Yet, the benefits of self-supervision are not fully exploited as previous pretext tasks are specialized for unsupervised representation learning. To this end, we begin by presenting three desirable properties for such auxiliary tasks to assist the supervised objective. First, the tasks need to guide the model to learn rich features. Second, the transformations involved in the self-supervision should not significantly alter the training distribution. Third, the tasks are preferred to be light and generic for high applicability to prior arts. Subsequently, to show how existing pretext tasks can fulfill these and be tailored for supervised learning, we propose a simple auxiliary self-supervision task, predicting localizable rotation (LoRot). Our exhaustive experiments validate the merits of LoRot as a pretext task tailored for supervised learning in terms of robustness and generalization capability. Our code is available at https://github.com/wjun0830/Localizable-Rotation.

Learning quickly from very few labeled samples is a fundamental attribute that separates machines and humans in the era of deep representation learning. Unsupervised few-shot learning (U-FSL) aspires to bridge this gap by discarding the reliance on annotations at training time. Intrigued by the success of contrastive learning approaches in the realm of U-FSL, we structurally approach their shortcomings in both pretraining and downstream inference stages. We propose a novel Dynamic Clustered mEmory (DyCE) module to promote a highly separable latent representation space for enhancing positive sampling at the pretraining phase and infusing implicit class-level insights into unsupervised contrastive learning. We then tackle the, somehow overlooked yet critical, issue of sample bias at the few-shot inference stage. We propose an iterative Optimal Transport-based distribution Alignment (OpTA) strategy and demonstrate that it efficiently addresses the problem, especially in low-shot scenarios where FSL approaches suffer the most from sample bias. We later on discuss that DyCE and OpTA are two intertwined pieces of a novel end-to-end approach (we coin as BECLR), constructively magnifying each other's impact. We then present a suite of extensive quantitative and qualitative experimentation to corroborate that BECLR sets a new state-of-the-art across ALL existing U-FSL benchmarks (to the best of our knowledge), and significantly outperforms the best of the current baselines (codebase available at: https://github.com/stypoumic/BECLR).

Given a sample of size N, it is often useful to select a subsample of smaller size n<N to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given N unlabeled samples {{boldsymbol x}_i}_{ile N}, and to be given access to a `surrogate model' that can predict labels y_i better than random guessing. Our goal is to select a subset of the samples, to be denoted by {{boldsymbol x}_i}_{iin G}, of size |G|=n<N. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: (i)~Data selection can be very effective, in particular beating training on the full sample in some cases; (ii)~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

Supervised dictionary learning (SDL) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. The goal of SDL is to learn a class-discriminative dictionary, which is a set of latent feature vectors that can well-explain both the features as well as labels of observed data. In this paper, we provide a systematic study of SDL, including the theory, algorithm, and applications of SDL. First, we provide a novel framework that `lifts' SDL as a convex problem in a combined factor space and propose a low-rank projected gradient descent algorithm that converges exponentially to the global minimizer of the objective. We also formulate generative models of SDL and provide global estimation guarantees of the true parameters depending on the hyperparameter regime. Second, viewed as a nonconvex constrained optimization problem, we provided an efficient block coordinate descent algorithm for SDL that is guaranteed to find an varepsilon-stationary point of the objective in O(varepsilon^{-1}(log varepsilon^{-1})^{2}) iterations. For the corresponding generative model, we establish a novel non-asymptotic local consistency result for constrained and regularized maximum likelihood estimation problems, which may be of independent interest. Third, we apply SDL for imbalanced document classification by supervised topic modeling and also for pneumonia detection from chest X-ray images. We also provide simulation studies to demonstrate that SDL becomes more effective when there is a discrepancy between the best reconstructive and the best discriminative dictionaries.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

Unsupervised learning is a challenging task due to the lack of labels. Multiple Object Tracking (MOT), which inevitably suffers from mutual object interference, occlusion, etc., is even more difficult without label supervision. In this paper, we explore the latent consistency of sample features across video frames and propose an Unsupervised Contrastive Similarity Learning method, named UCSL, including three contrast modules: self-contrast, cross-contrast, and ambiguity contrast. Specifically, i) self-contrast uses intra-frame direct and inter-frame indirect contrast to obtain discriminative representations by maximizing self-similarity. ii) Cross-contrast aligns cross- and continuous-frame matching results, mitigating the persistent negative effect caused by object occlusion. And iii) ambiguity contrast matches ambiguous objects with each other to further increase the certainty of subsequent object association through an implicit manner. On existing benchmarks, our method outperforms the existing unsupervised methods using only limited help from ReID head, and even provides higher accuracy than lots of fully supervised methods.

We propose a graph clustering formulation based on multicut (a.k.a. weighted correlation clustering) on the complete graph. Our formulation does not need specification of the graph topology as in the original sparse formulation of multicut, making our approach simpler and potentially better performing. In contrast to unweighted correlation clustering we allow for a more expressive weighted cost structure. In dense multicut, the clustering objective is given in a factorized form as inner products of node feature vectors. This allows for an efficient formulation and inference in contrast to multicut/weighted correlation clustering, which has at least quadratic representation and computation complexity when working on the complete graph. We show how to rewrite classical greedy algorithms for multicut in our dense setting and how to modify them for greater efficiency and solution quality. In particular, our algorithms scale to graphs with tens of thousands of nodes. Empirical evidence on instance segmentation on Cityscapes and clustering of ImageNet datasets shows the merits of our approach.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

This report is a reproducibility study of the paper "CDUL: CLIP-Driven Unsupervised Learning for Multi-Label Image Classification" (Abdelfattah et al, ICCV 2023). Our report makes the following contributions: (1) We provide a reproducible, well commented and open-sourced code implementation for the entire method specified in the original paper. (2) We try to verify the effectiveness of the novel aggregation strategy which uses the CLIP model to initialize the pseudo labels for the subsequent unsupervised multi-label image classification task. (3) We try to verify the effectiveness of the gradient-alignment training method specified in the original paper, which is used to update the network parameters and pseudo labels. The code can be found at https://github.com/cs-mshah/CDUL

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

Can we pre-train a generalist agent from a large amount of unlabeled offline trajectories such that it can be immediately adapted to any new downstream tasks in a zero-shot manner? In this work, we present a functional reward encoding (FRE) as a general, scalable solution to this zero-shot RL problem. Our main idea is to learn functional representations of any arbitrary tasks by encoding their state-reward samples using a transformer-based variational auto-encoder. This functional encoding not only enables the pre-training of an agent from a wide diversity of general unsupervised reward functions, but also provides a way to solve any new downstream tasks in a zero-shot manner, given a small number of reward-annotated samples. We empirically show that FRE agents trained on diverse random unsupervised reward functions can generalize to solve novel tasks in a range of simulated robotic benchmarks, often outperforming previous zero-shot RL and offline RL methods. Code for this project is provided at: https://github.com/kvfrans/fre

A key advance in learning generative models is the use of amortized inference distributions that are jointly trained with the models. We find that existing training objectives for variational autoencoders can lead to inaccurate amortized inference distributions and, in some cases, improving the objective provably degrades the inference quality. In addition, it has been observed that variational autoencoders tend to ignore the latent variables when combined with a decoding distribution that is too flexible. We again identify the cause in existing training criteria and propose a new class of objectives (InfoVAE) that mitigate these problems. We show that our model can significantly improve the quality of the variational posterior and can make effective use of the latent features regardless of the flexibility of the decoding distribution. Through extensive qualitative and quantitative analyses, we demonstrate that our models outperform competing approaches on multiple performance metrics.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which addresses both families of tasks simultaneously. We identify diffusion models, a state-of-the-art method for generative tasks, as a prime candidate. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high-fidelity, diverse, novel images. We find that the intermediate feature maps of the U-Net are diverse, discriminative feature representations. We propose a novel attention mechanism for pooling feature maps and further leverage this mechanism as DifFormer, a transformer feature fusion of features from different diffusion U-Net blocks and noise steps. We also develop DifFeed, a novel feedback mechanism tailored to diffusion. We find that diffusion models are better than GANs, and, with our fusion and feedback mechanisms, can compete with state-of-the-art unsupervised image representation learning methods for discriminative tasks - image classification with full and semi-supervision, transfer for fine-grained classification, object detection and segmentation, and semantic segmentation. Our project website (https://mgwillia.github.io/diffssl/) and code (https://github.com/soumik-kanad/diffssl) are available publicly.

We propose UTSP, an unsupervised learning (UL) framework for solving the Travelling Salesman Problem (TSP). We train a Graph Neural Network (GNN) using a surrogate loss. The GNN outputs a heat map representing the probability for each edge to be part of the optimal path. We then apply local search to generate our final prediction based on the heat map. Our loss function consists of two parts: one pushes the model to find the shortest path and the other serves as a surrogate for the constraint that the route should form a Hamiltonian Cycle. Experimental results show that UTSP outperforms the existing data-driven TSP heuristics. Our approach is parameter efficient as well as data efficient: the model takes sim 10\% of the number of parameters and sim 0.2\% of training samples compared with reinforcement learning or supervised learning methods.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

We introduce Feasible Learning (FL), a sample-centric learning paradigm where models are trained by solving a feasibility problem that bounds the loss for each training sample. In contrast to the ubiquitous Empirical Risk Minimization (ERM) framework, which optimizes for average performance, FL demands satisfactory performance on every individual data point. Since any model that meets the prescribed performance threshold is a valid FL solution, the choice of optimization algorithm and its dynamics play a crucial role in shaping the properties of the resulting solutions. In particular, we study a primal-dual approach which dynamically re-weights the importance of each sample during training. To address the challenge of setting a meaningful threshold in practice, we introduce a relaxation of FL that incorporates slack variables of minimal norm. Our empirical analysis, spanning image classification, age regression, and preference optimization in large language models, demonstrates that models trained via FL can learn from data while displaying improved tail behavior compared to ERM, with only a marginal impact on average performance.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.

While personalized text-to-image generation has enabled the learning of a single concept from multiple images, a more practical yet challenging scenario involves learning multiple concepts within a single image. However, existing works tackling this scenario heavily rely on extensive human annotations. In this paper, we introduce a novel task named Unsupervised Concept Extraction (UCE) that considers an unsupervised setting without any human knowledge of the concepts. Given an image that contains multiple concepts, the task aims to extract and recreate individual concepts solely relying on the existing knowledge from pretrained diffusion models. To achieve this, we present ConceptExpress that tackles UCE by unleashing the inherent capabilities of pretrained diffusion models in two aspects. Specifically, a concept localization approach automatically locates and disentangles salient concepts by leveraging spatial correspondence from diffusion self-attention; and based on the lookup association between a concept and a conceptual token, a concept-wise optimization process learns discriminative tokens that represent each individual concept. Finally, we establish an evaluation protocol tailored for the UCE task. Extensive experiments demonstrate that ConceptExpress is a promising solution to the UCE task. Our code and data are available at: https://github.com/haoosz/ConceptExpress

Recent advances in unsupervised learning have demonstrated the ability of large vision models to achieve promising results on downstream tasks by pre-training on large amount of unlabelled data. Such pre-training techniques have also been explored recently in the remote sensing domain due to the availability of large amount of unlabelled data. Different from standard natural image datasets, remote sensing data is acquired from various sensor technologies and exhibit diverse range of scale variations as well as modalities. Existing satellite image pre-training methods either ignore the scale information present in the remote sensing imagery or restrict themselves to use only a single type of data modality. In this paper, we re-visit transformers pre-training and leverage multi-scale information that is effectively utilized with multiple modalities. Our proposed approach, named SatMAE++, performs multi-scale pre-training and utilizes convolution based upsampling blocks to reconstruct the image at higher scales making it extensible to include more scales. Compared to existing works, the proposed SatMAE++ with multi-scale pre-training is equally effective for both optical as well as multi-spectral imagery. Extensive experiments on six datasets reveal the merits of proposed contributions, leading to state-of-the-art performance on all datasets. SatMAE++ achieves mean average precision (mAP) gain of 2.5\% for multi-label classification task on BigEarthNet dataset. Our code and pre-trained models are available at https://github.com/techmn/satmae_pp.

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.

For a very long time, unsupervised learning for anomaly detection has been at the heart of image processing research and a stepping stone for high performance industrial automation process. With the emergence of CNN, several methods have been proposed such as Autoencoders, GAN, deep feature extraction, etc. In this paper, we propose a new method based on the promising concept of knowledge distillation which consists of training a network (the student) on normal samples while considering the output of a larger pretrained network (the teacher). The main contributions of this paper are twofold: First, a reduced student architecture with optimal layer selection is proposed, then a new Student-Teacher architecture with network bias reduction combining two teachers is proposed in order to jointly enhance the performance of anomaly detection and its localization accuracy. The proposed texture anomaly detector has an outstanding capability to detect defects in any texture and a fast inference time compared to the SOTA methods.

Diffusion models, while powerful, can inadvertently generate harmful or undesirable content, raising significant ethical and safety concerns. Recent machine unlearning approaches offer potential solutions but often lack transparency, making it difficult to understand the changes they introduce to the base model. In this work, we introduce SAeUron, a novel method leveraging features learned by sparse autoencoders (SAEs) to remove unwanted concepts in text-to-image diffusion models. First, we demonstrate that SAEs, trained in an unsupervised manner on activations from multiple denoising timesteps of the diffusion model, capture sparse and interpretable features corresponding to specific concepts. Building on this, we propose a feature selection method that enables precise interventions on model activations to block targeted content while preserving overall performance. Evaluation with the competitive UnlearnCanvas benchmark on object and style unlearning highlights SAeUron's state-of-the-art performance. Moreover, we show that with a single SAE, we can remove multiple concepts simultaneously and that in contrast to other methods, SAeUron mitigates the possibility of generating unwanted content, even under adversarial attack. Code and checkpoints are available at: https://github.com/cywinski/SAeUron.

We present Seg-TTO, a novel framework for zero-shot, open-vocabulary semantic segmentation (OVSS), designed to excel in specialized domain tasks. While current open vocabulary approaches show impressive performance on standard segmentation benchmarks under zero-shot settings, they fall short of supervised counterparts on highly domain-specific datasets. We focus on segmentation-specific test-time optimization to address this gap. Segmentation requires an understanding of multiple concepts within a single image while retaining the locality and spatial structure of representations. We propose a novel self-supervised objective adhering to these requirements and use it to align the model parameters with input images at test time. In the textual modality, we learn multiple embeddings for each category to capture diverse concepts within an image, while in the visual modality, we calculate pixel-level losses followed by embedding aggregation operations specific to preserving spatial structure. Our resulting framework termed Seg-TTO is a plug-in-play module. We integrate Seg-TTO with three state-of-the-art OVSS approaches and evaluate across 22 challenging OVSS tasks covering a range of specialized domains. Our Seg-TTO demonstrates clear performance improvements across these establishing new state-of-the-art. Code: https://github.com/UlinduP/SegTTO.

The advent of deep perceptual networks brought about a paradigm shift in machine vision and image perception. Image apprehension lately carried out by hand-crafted features in the latent space have been replaced by deep features acquired from supervised networks for improved understanding. However, such deep networks require strict supervision with a substantial amount of the labeled data for authentic training process. These methods perform poorly in domains lacking labeled data especially in case of remote sensing image retrieval. Resolving this, we propose an unsupervised encoder-decoder feature for remote sensing image matching (RSIM). Moreover, we replace the conventional distance metrics with a deep discriminator network to identify the similarity of the image pairs. To the best of our knowledge, discriminator network has never been used before for solving RSIM problem. Results have been validated with two publicly available benchmark remote sensing image datasets. The technique has also been investigated for content-based remote sensing image retrieval (CBRSIR); one of the widely used applications of RSIM. Results demonstrate that our technique supersedes the state-of-the-art methods used for unsupervised image matching with mean average precision (mAP) of 81%, and image retrieval with an overall improvement in mAP score of about 12%.

Hyperspectral unmixing is one of the crucial steps for many hyperspectral applications. The problem of hyperspectral unmixing has proven to be a difficult task in unsupervised work settings where the endmembers and abundances are both unknown. What is more, this task becomes more challenging in the case that the spectral bands are degraded with noise. This paper presents a robust model for unsupervised hyperspectral unmixing. Specifically, our model is developed with the correntropy based metric where the non-negative constraints on both endmembers and abundances are imposed to keep physical significance. In addition, a sparsity prior is explicitly formulated to constrain the distribution of the abundances of each endmember. To solve our model, a half-quadratic optimization technique is developed to convert the original complex optimization problem into an iteratively re-weighted NMF with sparsity constraints. As a result, the optimization of our model can adaptively assign small weights to noisy bands and give more emphasis on noise-free bands. In addition, with sparsity constraints, our model can naturally generate sparse abundances. Experiments on synthetic and real data demonstrate the effectiveness of our model in comparison to the related state-of-the-art unmixing models.

We present CURL: Contrastive Unsupervised Representations for Reinforcement Learning. CURL extracts high-level features from raw pixels using contrastive learning and performs off-policy control on top of the extracted features. CURL outperforms prior pixel-based methods, both model-based and model-free, on complex tasks in the DeepMind Control Suite and Atari Games showing 1.9x and 1.2x performance gains at the 100K environment and interaction steps benchmarks respectively. On the DeepMind Control Suite, CURL is the first image-based algorithm to nearly match the sample-efficiency of methods that use state-based features. Our code is open-sourced and available at https://github.com/MishaLaskin/curl.

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

Unsupervised learning for geometric perception (depth, optical flow, etc.) is of great interest to autonomous systems. Recent works on unsupervised learning have made considerable progress on perceiving geometry; however, they usually ignore the coherence of objects and perform poorly under scenarios with dark and noisy environments. In contrast, supervised learning algorithms, which are robust, require large labeled geometric dataset. This paper introduces SIGNet, a novel framework that provides robust geometry perception without requiring geometrically informative labels. Specifically, SIGNet integrates semantic information to make depth and flow predictions consistent with objects and robust to low lighting conditions. SIGNet is shown to improve upon the state-of-the-art unsupervised learning for depth prediction by 30% (in squared relative error). In particular, SIGNet improves the dynamic object class performance by 39% in depth prediction and 29% in flow prediction. Our code will be made available at https://github.com/mengyuest/SIGNet

Anomaly detection (AD), aiming to find samples that deviate from the training distribution, is essential in safety-critical applications. Though recent self-supervised learning based attempts achieve promising results by creating virtual outliers, their training objectives are less faithful to AD which requires a concentrated inlier distribution as well as a dispersive outlier distribution. In this paper, we propose Unilaterally Aggregated Contrastive Learning with Hierarchical Augmentation (UniCon-HA), taking into account both the requirements above. Specifically, we explicitly encourage the concentration of inliers and the dispersion of virtual outliers via supervised and unsupervised contrastive losses, respectively. Considering that standard contrastive data augmentation for generating positive views may induce outliers, we additionally introduce a soft mechanism to re-weight each augmented inlier according to its deviation from the inlier distribution, to ensure a purified concentration. Moreover, to prompt a higher concentration, inspired by curriculum learning, we adopt an easy-to-hard hierarchical augmentation strategy and perform contrastive aggregation at different depths of the network based on the strengths of data augmentation. Our method is evaluated under three AD settings including unlabeled one-class, unlabeled multi-class, and labeled multi-class, demonstrating its consistent superiority over other competitors.

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta functions. The training of ensembles relies on non-convexity of the loss landscape and random initialization of their individual members, making the resulting posterior approximation uncontrolled. This paper proposes a novel and principled method to tackle this limitation, minimizing an f-divergence between the true posterior and a kernel density estimator (KDE) in a function space. We analyze this objective from a combinatorial point of view, and show that it is submodular with respect to mixture components for any f. Subsequently, we consider the problem of greedy ensemble construction. From the marginal gain on the negative f-divergence, which quantifies an improvement in posterior approximation yielded by adding a new component into the KDE, we derive a novel diversity term for ensemble methods. The performance of our approach is demonstrated on computer vision out-of-distribution detection benchmarks in a range of architectures trained on multiple datasets. The source code of our method is made publicly available at https://github.com/Oulu-IMEDS/greedy_ensembles_training.

Recent advances in deep learning have significantly improved the performance of various computer vision applications. However, discovering novel categories in an incremental learning scenario remains a challenging problem due to the lack of prior knowledge about the number and nature of new categories. Existing methods for novel category discovery are limited by their reliance on labeled datasets and prior knowledge about the number of novel categories and the proportion of novel samples in the batch. To address the limitations and more accurately reflect real-world scenarios, in this paper, we propose a novel unsupervised class incremental learning approach for discovering novel categories on unlabeled sets without prior knowledge. The proposed method fine-tunes the feature extractor and proxy anchors on labeled sets, then splits samples into old and novel categories and clusters on the unlabeled dataset. Furthermore, the proxy anchors-based exemplar generates representative category vectors to mitigate catastrophic forgetting. Experimental results demonstrate that our proposed approach outperforms the state-of-the-art methods on fine-grained datasets under real-world scenarios.

Self-supervised learning (SSL) is rapidly closing the gap with supervised methods on large computer vision benchmarks. A successful approach to SSL is to learn embeddings which are invariant to distortions of the input sample. However, a recurring issue with this approach is the existence of trivial constant solutions. Most current methods avoid such solutions by careful implementation details. We propose an objective function that naturally avoids collapse by measuring the cross-correlation matrix between the outputs of two identical networks fed with distorted versions of a sample, and making it as close to the identity matrix as possible. This causes the embedding vectors of distorted versions of a sample to be similar, while minimizing the redundancy between the components of these vectors. The method is called Barlow Twins, owing to neuroscientist H. Barlow's redundancy-reduction principle applied to a pair of identical networks. Barlow Twins does not require large batches nor asymmetry between the network twins such as a predictor network, gradient stopping, or a moving average on the weight updates. Intriguingly it benefits from very high-dimensional output vectors. Barlow Twins outperforms previous methods on ImageNet for semi-supervised classification in the low-data regime, and is on par with current state of the art for ImageNet classification with a linear classifier head, and for transfer tasks of classification and object detection.

Self-supervised learning, which learns by constructing artificial labels given only the input signals, has recently gained considerable attention for learning representations with unlabeled datasets, i.e., learning without any human-annotated supervision. In this paper, we show that such a technique can be used to significantly improve the model accuracy even under fully-labeled datasets. Our scheme trains the model to learn both original and self-supervised tasks, but is different from conventional multi-task learning frameworks that optimize the summation of their corresponding losses. Our main idea is to learn a single unified task with respect to the joint distribution of the original and self-supervised labels, i.e., we augment original labels via self-supervision of input transformation. This simple, yet effective approach allows to train models easier by relaxing a certain invariant constraint during learning the original and self-supervised tasks simultaneously. It also enables an aggregated inference which combines the predictions from different augmentations to improve the prediction accuracy. Furthermore, we propose a novel knowledge transfer technique, which we refer to as self-distillation, that has the effect of the aggregated inference in a single (faster) inference. We demonstrate the large accuracy improvement and wide applicability of our framework on various fully-supervised settings, e.g., the few-shot and imbalanced classification scenarios.

We present a framework for the unsupervised learning of neurosymbolic encoders, which are encoders obtained by composing neural networks with symbolic programs from a domain-specific language. Our framework naturally incorporates symbolic expert knowledge into the learning process, which leads to more interpretable and factorized latent representations compared to fully neural encoders. We integrate modern program synthesis techniques with the variational autoencoding (VAE) framework, in order to learn a neurosymbolic encoder in conjunction with a standard decoder. The programmatic descriptions from our encoders can benefit many analysis workflows, such as in behavior modeling where interpreting agent actions and movements is important. We evaluate our method on learning latent representations for real-world trajectory data from animal biology and sports analytics. We show that our approach offers significantly better separation of meaningful categories than standard VAEs and leads to practical gains on downstream analysis tasks, such as for behavior classification.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

We present Momentum Contrast (MoCo) for unsupervised visual representation learning. From a perspective on contrastive learning as dictionary look-up, we build a dynamic dictionary with a queue and a moving-averaged encoder. This enables building a large and consistent dictionary on-the-fly that facilitates contrastive unsupervised learning. MoCo provides competitive results under the common linear protocol on ImageNet classification. More importantly, the representations learned by MoCo transfer well to downstream tasks. MoCo can outperform its supervised pre-training counterpart in 7 detection/segmentation tasks on PASCAL VOC, COCO, and other datasets, sometimes surpassing it by large margins. This suggests that the gap between unsupervised and supervised representation learning has been largely closed in many vision tasks.

Deep anomaly detection methods learn representations that separate between normal and anomalous images. Although self-supervised representation learning is commonly used, small dataset sizes limit its effectiveness. It was previously shown that utilizing external, generic datasets (e.g. ImageNet classification) can significantly improve anomaly detection performance. One approach is outlier exposure, which fails when the external datasets do not resemble the anomalies. We take the approach of transferring representations pre-trained on external datasets for anomaly detection. Anomaly detection performance can be significantly improved by fine-tuning the pre-trained representations on the normal training images. In this paper, we first demonstrate and analyze that contrastive learning, the most popular self-supervised learning paradigm cannot be naively applied to pre-trained features. The reason is that pre-trained feature initialization causes poor conditioning for standard contrastive objectives, resulting in bad optimization dynamics. Based on our analysis, we provide a modified contrastive objective, the Mean-Shifted Contrastive Loss. Our method is highly effective and achieves a new state-of-the-art anomaly detection performance including 98.6% ROC-AUC on the CIFAR-10 dataset.

Unsupervised image representations have significantly reduced the gap with supervised pretraining, notably with the recent achievements of contrastive learning methods. These contrastive methods typically work online and rely on a large number of explicit pairwise feature comparisons, which is computationally challenging. In this paper, we propose an online algorithm, SwAV, that takes advantage of contrastive methods without requiring to compute pairwise comparisons. Specifically, our method simultaneously clusters the data while enforcing consistency between cluster assignments produced for different augmentations (or views) of the same image, instead of comparing features directly as in contrastive learning. Simply put, we use a swapped prediction mechanism where we predict the cluster assignment of a view from the representation of another view. Our method can be trained with large and small batches and can scale to unlimited amounts of data. Compared to previous contrastive methods, our method is more memory efficient since it does not require a large memory bank or a special momentum network. In addition, we also propose a new data augmentation strategy, multi-crop, that uses a mix of views with different resolutions in place of two full-resolution views, without increasing the memory or compute requirements much. We validate our findings by achieving 75.3% top-1 accuracy on ImageNet with ResNet-50, as well as surpassing supervised pretraining on all the considered transfer tasks.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

Unsupervised Domain Adaptation (UDA) is the task of bridging the domain gap between a labeled source domain, e.g., synthetic data, and an unlabeled target domain. We observe that current UDA methods show inferior results on fine structures and tend to oversegment objects with ambiguous appearance. To address these shortcomings, we propose to leverage geometric information, i.e., depth predictions, as depth discontinuities often coincide with segmentation boundaries. We show that naively incorporating depth into current UDA methods does not fully exploit the potential of this complementary information. To this end, we present MICDrop, which learns a joint feature representation by masking image encoder features while inversely masking depth encoder features. With this simple yet effective complementary masking strategy, we enforce the use of both modalities when learning the joint feature representation. To aid this process, we propose a feature fusion module to improve both global as well as local information sharing while being robust to errors in the depth predictions. We show that our method can be plugged into various recent UDA methods and consistently improve results across standard UDA benchmarks, obtaining new state-of-the-art performances.

Recent approaches for weakly supervised instance segmentations depend on two components: (i) a pseudo label generation model that provides instances which are consistent with a given annotation; and (ii) an instance segmentation model, which is trained in a supervised manner using the pseudo labels as ground-truth. Unlike previous approaches, we explicitly model the uncertainty in the pseudo label generation process using a conditional distribution. The samples drawn from our conditional distribution provide accurate pseudo labels due to the use of semantic class aware unary terms, boundary aware pairwise smoothness terms, and annotation aware higher order terms. Furthermore, we represent the instance segmentation model as an annotation agnostic prediction distribution. In contrast to previous methods, our representation allows us to define a joint probabilistic learning objective that minimizes the dissimilarity between the two distributions. Our approach achieves state of the art results on the PASCAL VOC 2012 data set, outperforming the best baseline by 4.2% mAP@0.5 and 4.8% mAP@0.75.

Training neural networks involves solving large-scale non-convex optimization problems. This task has long been believed to be extremely difficult, with fear of local minima and other obstacles motivating a variety of schemes to improve optimization, such as unsupervised pretraining. However, modern neural networks are able to achieve negligible training error on complex tasks, using only direct training with stochastic gradient descent. We introduce a simple analysis technique to look for evidence that such networks are overcoming local optima. We find that, in fact, on a straight path from initialization to solution, a variety of state of the art neural networks never encounter any significant obstacles.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

Humans do not acquire perceptual abilities in the way we train machines. While machine learning algorithms typically operate on large collections of randomly-chosen, explicitly-labeled examples, human acquisition relies more heavily on multimodal unsupervised learning (as infants) and active learning (as children). With this motivation, we present a learning framework for sound representation and recognition that combines (i) a self-supervised objective based on a general notion of unimodal and cross-modal coincidence, (ii) a clustering objective that reflects our need to impose categorical structure on our experiences, and (iii) a cluster-based active learning procedure that solicits targeted weak supervision to consolidate categories into relevant semantic classes. By training a combined sound embedding/clustering/classification network according to these criteria, we achieve a new state-of-the-art unsupervised audio representation and demonstrate up to a 20-fold reduction in the number of labels required to reach a desired classification performance.

Imitation learning uses data for training policies to solve complex tasks. However, when the training data is collected from human demonstrators, it often leads to multimodal distributions because of the variability in human actions. Most imitation learning methods rely on a maximum likelihood (ML) objective to learn a parameterized policy, but this can result in suboptimal or unsafe behavior due to the mode-averaging property of the ML objective. In this work, we propose Information Maximizing Curriculum, a curriculum-based approach that assigns a weight to each data point and encourages the model to specialize in the data it can represent, effectively mitigating the mode-averaging problem by allowing the model to ignore data from modes it cannot represent. To cover all modes and thus, enable diverse behavior, we extend our approach to a mixture of experts (MoE) policy, where each mixture component selects its own subset of the training data for learning. A novel, maximum entropy-based objective is proposed to achieve full coverage of the dataset, thereby enabling the policy to encompass all modes within the data distribution. We demonstrate the effectiveness of our approach on complex simulated control tasks using diverse human demonstrations, achieving superior performance compared to state-of-the-art methods.

This paper presents FedX, an unsupervised federated learning framework. Our model learns unbiased representation from decentralized and heterogeneous local data. It employs a two-sided knowledge distillation with contrastive learning as a core component, allowing the federated system to function without requiring clients to share any data features. Furthermore, its adaptable architecture can be used as an add-on module for existing unsupervised algorithms in federated settings. Experiments show that our model improves performance significantly (1.58--5.52pp) on five unsupervised algorithms.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Active inference is a unifying theory for perception and action resting upon the idea that the brain maintains an internal model of the world by minimizing free energy. From a behavioral perspective, active inference agents can be seen as self-evidencing beings that act to fulfill their optimistic predictions, namely preferred outcomes or goals. In contrast, reinforcement learning requires human-designed rewards to accomplish any desired outcome. Although active inference could provide a more natural self-supervised objective for control, its applicability has been limited because of the shortcomings in scaling the approach to complex environments. In this work, we propose a contrastive objective for active inference that strongly reduces the computational burden in learning the agent's generative model and planning future actions. Our method performs notably better than likelihood-based active inference in image-based tasks, while also being computationally cheaper and easier to train. We compare to reinforcement learning agents that have access to human-designed reward functions, showing that our approach closely matches their performance. Finally, we also show that contrastive methods perform significantly better in the case of distractors in the environment and that our method is able to generalize goals to variations in the background. Website and code: https://contrastive-aif.github.io/

The deep convolutional neural network (DCNN) in computer vision has given promising results. It is widely applied in many areas, from medicine, agriculture, self-driving car, biometric system, and almost all computer vision-based applications. Filters or weights are the critical elements responsible for learning in DCNN. Backpropagation has been the primary learning algorithm for DCNN and provides promising results, but the size and numbers of the filters remain hyper-parameters. Various studies have been done in the last decade on semi-supervised, self-supervised, and unsupervised methods and their properties. The effects of filter initialization, size-shape selection, and the number of filters on learning and optimization have not been investigated in a separate publication to collate all the options. Such attributes are often treated as hyper-parameters and lack mathematical understanding. Computer vision algorithms have many limitations in real-life applications, and understanding the learning process is essential to have some significant improvement. To the best of our knowledge, no separate investigation has been published discussing the filters; this is our primary motivation. This study focuses on arguments for choosing specific physical parameters of filters, initialization, and learning technic over scattered methods. The promising unsupervised approaches have been evaluated. Additionally, the limitations, current challenges, and future scope have been discussed in this paper.

In this paper, we introduce an unsupervised approach for Speech Segmentation, which builds on previously researched approaches, e.g., Speaker Diarization, while being applicable to an inclusive set of acoustic-semantic distinctions, paving a path towards a general Unsupervised Speech Segmentation approach. Unlike traditional speech and audio segmentation, which mainly focuses on spectral changes in the input signal, e.g., phone segmentation, our approach tries to segment the spoken utterance into chunks with differing acoustic-semantic styles, focusing on acoustic-semantic information that does not translate well into text, e.g., emotion or speaker. While most Speech Segmentation tasks only handle one style change, e.g., emotion diarization, our approach tries to handle multiple acoustic-semantic style changes. Leveraging recent advances in Speech Language Models (SLMs), we propose a simple unsupervised method to segment a given speech utterance. We empirically demonstrate the effectiveness of the proposed approach by considering several setups. Results suggest that the proposed method is superior to the evaluated baselines on boundary detection, segment purity, and over-segmentation. Code is available at https://github.com/avishaiElmakies/unsupervised_speech_segmentation_using_slm.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

Exploration bonuses in reinforcement learning guide long-horizon exploration by defining custom intrinsic objectives. Several exploration objectives like count-based bonuses, pseudo-counts, and state-entropy maximization are non-stationary and hence are difficult to optimize for the agent. While this issue is generally known, it is usually omitted and solutions remain under-explored. The key contribution of our work lies in transforming the original non-stationary rewards into stationary rewards through an augmented state representation. For this purpose, we introduce the Stationary Objectives For Exploration (SOFE) framework. SOFE requires identifying sufficient statistics for different exploration bonuses and finding an efficient encoding of these statistics to use as input to a deep network. SOFE is based on proposing state augmentations that expand the state space but hold the promise of simplifying the optimization of the agent's objective. We show that SOFE improves the performance of several exploration objectives, including count-based bonuses, pseudo-counts, and state-entropy maximization. Moreover, SOFE outperforms prior methods that attempt to stabilize the optimization of intrinsic objectives. We demonstrate the efficacy of SOFE in hard-exploration problems, including sparse-reward tasks, pixel-based observations, 3D navigation, and procedurally generated environments.