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Mar 11

Weight-Entanglement Meets Gradient-Based Neural Architecture Search

Weight sharing is a fundamental concept in neural architecture search (NAS), enabling gradient-based methods to explore cell-based architecture spaces significantly faster than traditional blackbox approaches. In parallel, weight entanglement has emerged as a technique for intricate parameter sharing among architectures within macro-level search spaces. %However, the macro structure of such spaces poses compatibility challenges for gradient-based NAS methods. %As a result, blackbox optimization methods have been commonly employed, particularly in conjunction with supernet training, to maintain search efficiency. %Due to the inherent differences in the structure of these search spaces, these Since weight-entanglement poses compatibility challenges for gradient-based NAS methods, these two paradigms have largely developed independently in parallel sub-communities. This paper aims to bridge the gap between these sub-communities by proposing a novel scheme to adapt gradient-based methods for weight-entangled spaces. This enables us to conduct an in-depth comparative assessment and analysis of the performance of gradient-based NAS in weight-entangled search spaces. Our findings reveal that this integration of weight-entanglement and gradient-based NAS brings forth the various benefits of gradient-based methods (enhanced performance, improved supernet training properties and superior any-time performance), while preserving the memory efficiency of weight-entangled spaces. The code for our work is openly accessible https://anonymous.4open.science/r/TangleNAS-527C{here}

Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Generalizing Few-Shot NAS with Gradient Matching

Efficient performance estimation of architectures drawn from large search spaces is essential to Neural Architecture Search. One-Shot methods tackle this challenge by training one supernet to approximate the performance of every architecture in the search space via weight-sharing, thereby drastically reducing the search cost. However, due to coupled optimization between child architectures caused by weight-sharing, One-Shot supernet's performance estimation could be inaccurate, leading to degraded search outcomes. To address this issue, Few-Shot NAS reduces the level of weight-sharing by splitting the One-Shot supernet into multiple separated sub-supernets via edge-wise (layer-wise) exhaustive partitioning. Since each partition of the supernet is not equally important, it necessitates the design of a more effective splitting criterion. In this work, we propose a gradient matching score (GM) that leverages gradient information at the shared weight for making informed splitting decisions. Intuitively, gradients from different child models can be used to identify whether they agree on how to update the shared modules, and subsequently to decide if they should share the same weight. Compared with exhaustive partitioning, the proposed criterion significantly reduces the branching factor per edge. This allows us to split more edges (layers) for a given budget, resulting in substantially improved performance as NAS search spaces usually include dozens of edges (layers). Extensive empirical evaluations of the proposed method on a wide range of search spaces (NASBench-201, DARTS, MobileNet Space), datasets (cifar10, cifar100, ImageNet) and search algorithms (DARTS, SNAS, RSPS, ProxylessNAS, OFA) demonstrate that it significantly outperforms its Few-Shot counterparts while surpassing previous comparable methods in terms of the accuracy of derived architectures.

Orthogonal Matrices for MBAT Vector Symbolic Architectures, and a "Soft" VSA Representation for JSON

Vector Symbolic Architectures (VSAs) give a way to represent a complex object as a single fixed-length vector, so that similar objects have similar vector representations. These vector representations then become easy to use for machine learning or nearest-neighbor search. We review a previously proposed VSA method, MBAT (Matrix Binding of Additive Terms), which uses multiplication by random matrices for binding related terms. However, multiplying by such matrices introduces instabilities which can harm performance. Making the random matrices be orthogonal matrices provably fixes this problem. With respect to larger scale applications, we see how to apply MBAT vector representations for any data expressed in JSON. JSON is used in numerous programming languages to express complex data, but its native format appears highly unsuited for machine learning. Expressing JSON as a fixed-length vector makes it readily usable for machine learning and nearest-neighbor search. Creating such JSON vectors also shows that a VSA needs to employ binding operations that are non-commutative. VSAs are now ready to try with full-scale practical applications, including healthcare, pharmaceuticals, and genomics. Keywords: MBAT (Matrix Binding of Additive Terms), VSA (Vector Symbolic Architecture), HDC (Hyperdimensional Computing), Distributed Representations, Binding, Orthogonal Matrices, Recurrent Connections, Machine Learning, Search, JSON, VSA Applications

KIND: Knowledge Integration and Diversion in Diffusion Models

Pre-trained models have become the preferred backbone due to the expansion of model parameters, with techniques like Parameter-Efficient Fine-Tuning (PEFTs) typically fixing the parameters of these models. However, pre-trained models may not always be optimal, especially when there are discrepancies between training tasks and target tasks, potentially resulting in negative transfer. To address this, we introduce KIND, which performs Knowledge INtegration and Diversion in diffusion models. KIND first integrates knowledge by decomposing parameter matrices of models using U, Sigma, and V matrices, formally inspired by singular value decomposition (SVD). Then it explicitly partitions the components of these matrices into learngenes and tailors to condense common and class-specific knowledge, respectively, through a class gate. In this way, KIND redefines traditional pre-training methods by adjusting training objectives from maximizing model performance on current tasks to condensing transferable common knowledge, leveraging the Learngene framework. We conduct experiments on ImageNet-1K and compare KIND with PEFT and other learngene methods. Results indicate that KIND achieves state-of-the-art performance compared to other PEFT and learngene methods. Specifically, the images generated by KIND achieves more than 6.54 and 1.07 decrease in FID and sFID on DiT-L/2, utilizing only 45.4M trainable parameters and saving at least 35.4G FLOPs in computational cost.

MoS: Unleashing Parameter Efficiency of Low-Rank Adaptation with Mixture of Shards

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately 8x parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods.

Equiangular Basis Vectors

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.

Mixture-of-Supernets: Improving Weight-Sharing Supernet Training with Architecture-Routed Mixture-of-Experts

Weight-sharing supernet has become a vital component for performance estimation in the state-of-the-art (SOTA) neural architecture search (NAS) frameworks. Although supernet can directly generate different subnetworks without retraining, there is no guarantee for the quality of these subnetworks because of weight sharing. In NLP tasks such as machine translation and pre-trained language modeling, we observe that given the same model architecture, there is a large performance gap between supernet and training from scratch. Hence, supernet cannot be directly used and retraining is necessary after finding the optimal architectures. In this work, we propose mixture-of-supernets, a generalized supernet formulation where mixture-of-experts (MoE) is adopted to enhance the expressive power of the supernet model, with negligible training overhead. In this way, different subnetworks do not share the model weights directly, but through an architecture-based routing mechanism. As a result, model weights of different subnetworks are customized towards their specific architectures and the weight generation is learned by gradient descent. Compared to existing weight-sharing supernet for NLP, our method can minimize the retraining time, greatly improving training efficiency. In addition, the proposed method achieves the SOTA performance in NAS for building fast machine translation models, yielding better latency-BLEU tradeoff compared to HAT, state-of-the-art NAS for MT. We also achieve the SOTA performance in NAS for building memory-efficient task-agnostic BERT models, outperforming NAS-BERT and AutoDistil in various model sizes.

BatchLLM: Optimizing Large Batched LLM Inference with Global Prefix Sharing and Throughput-oriented Token Batching

Many LLM tasks are performed in large batches or even offline, and the performance indictor for which is throughput. These tasks usually show the characteristic of prefix sharing, where different prompt input can partially show the common prefix. However, the existing LLM inference engines tend to optimize the streaming requests and show limitations of supporting the large batched tasks with the prefix sharing characteristic. The existing solutions use the LRU-based cache to reuse the KV context of common prefix. The KV context that is about to be reused may prematurely be evicted with the implicit cache management. Even if not evicted, the lifetime of the shared KV context is extended since requests sharing the same context are not scheduled together, resulting in larger memory usage. These streaming oriented systems schedule the requests in the first-come-first-serve or similar order. As a result, the requests with larger ratio of decoding steps may be scheduled too late to be able to mix with the prefill chunks to increase the hardware utilization. Besides, the token and request number based batching can limit the size of token-batch, which keeps the GPU from saturating for the iterations dominated by decoding tokens. We propose BatchLLM to address the above problems. BatchLLM explicitly identifies the common prefixes globally. The requests sharing the same prefix will be scheduled together to reuse the KV context the best, which also shrinks the lifetime of common KV memory. BatchLLM reorders the requests and schedules the requests with larger ratio of decoding first to better mix the decoding tokens with the latter prefill chunks and applies memory-centric token batching to enlarge the token-batch sizes, which helps to increase the GPU utilization. Extensive evaluation shows that BatchLLM outperforms vLLM by 1.1x to 2x on a set of microbenchmarks and two typical industry workloads.

Convergent Learning: Do different neural networks learn the same representations?

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

A Nearly-Optimal Bound for Fast Regression with ell_infty Guarantee

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Understanding GEMM Performance and Energy on NVIDIA Ada Lovelace: A Machine Learning-Based Analytical Approach

Analytical framework for predicting General Matrix Multiplication (GEMM) performance on modern GPUs, focusing on runtime, power consumption, and energy efficiency. Our study employs two approaches: a custom-implemented tiled matrix multiplication kernel for fundamental analysis, and NVIDIA's CUTLASS library for comprehensive performance data collection across advanced configurations. Using the NVIDIA RTX 4070 as our experimental platform, we developed a Random Forest-based prediction model with multi-output regression capability. Through analysis of both naive tiled matrix multiplication with varying tile sizes (1 to 32) and 16,128 CUTLASS GEMM operations across diverse configurations, we identified critical performance patterns related to matrix dimensions, thread block configurations, and memory access patterns. Our framework achieved exceptional accuracy with an R^2 score of 0.98 for runtime prediction (mean error 15.57%) and 0.78 for power prediction (median error 5.42%). The system successfully predicts performance across matrix sizes, demonstrating robust scaling behavior. Our results show that optimal tile size selection can improve performance by up to 3.2x while reducing power consumption by 22% compared to baseline configurations. Analysis of shared memory utilization and SM occupancy reveals that tile sizes of 16x16 achieve the best balance between parallelism and resource usage. The implementation of our framework, including prediction models and analysis tools, is available as an open-source project at GPPerf [https://github.com/pavlyhalim/GPPerf].

How to Train Your HiPPO: State Space Models with Generalized Orthogonal Basis Projections

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

Aggregating Intrinsic Information to Enhance BCI Performance through Federated Learning

Insufficient data is a long-standing challenge for Brain-Computer Interface (BCI) to build a high-performance deep learning model. Though numerous research groups and institutes collect a multitude of EEG datasets for the same BCI task, sharing EEG data from multiple sites is still challenging due to the heterogeneity of devices. The significance of this challenge cannot be overstated, given the critical role of data diversity in fostering model robustness. However, existing works rarely discuss this issue, predominantly centering their attention on model training within a single dataset, often in the context of inter-subject or inter-session settings. In this work, we propose a hierarchical personalized Federated Learning EEG decoding (FLEEG) framework to surmount this challenge. This innovative framework heralds a new learning paradigm for BCI, enabling datasets with disparate data formats to collaborate in the model training process. Each client is assigned a specific dataset and trains a hierarchical personalized model to manage diverse data formats and facilitate information exchange. Meanwhile, the server coordinates the training procedure to harness knowledge gleaned from all datasets, thus elevating overall performance. The framework has been evaluated in Motor Imagery (MI) classification with nine EEG datasets collected by different devices but implementing the same MI task. Results demonstrate that the proposed frame can boost classification performance up to 16.7% by enabling knowledge sharing between multiple datasets, especially for smaller datasets. Visualization results also indicate that the proposed framework can empower the local models to put a stable focus on task-related areas, yielding better performance. To the best of our knowledge, this is the first end-to-end solution to address this important challenge.

Just One Byte (per gradient): A Note on Low-Bandwidth Decentralized Language Model Finetuning Using Shared Randomness

Language model training in distributed settings is limited by the communication cost of gradient exchanges. In this short note, we extend recent work from Malladi et al. (2023), using shared randomness to perform distributed fine-tuning with low bandwidth. The method is a natural decentralized extension of memory-efficient Simultaneous Perturbation Stochastic Approximation (SPSA). Each iteration, each machine seeds a Random Number Generator (RNG) to perform local reproducible perturbations on model weights and calculate and exchange scalar projected gradients, which are then used to update each model. By using a (machine, sample) identifier as the random seed, each model can regenerate one another's perturbations. As machines only exchange single-byte projected gradients, this is highly communication efficient. There are also potential privacy benefits, as projected gradients may be calculated on different training data, and models never access the other's data. Our approach not only drastically reduces communication bandwidth requirements but also accommodates dynamic addition or removal of machines during the training process and retains the memory-efficient and inference-only advantages of recent work. We perform proof-of-concept experiments to demonstrate the potential usefulness of this method, building off of rich literature on distributed optimization and memory-efficient training.

M2TRec: Metadata-aware Multi-task Transformer for Large-scale and Cold-start free Session-based Recommendations

Session-based recommender systems (SBRSs) have shown superior performance over conventional methods. However, they show limited scalability on large-scale industrial datasets since most models learn one embedding per item. This leads to a large memory requirement (of storing one vector per item) and poor performance on sparse sessions with cold-start or unpopular items. Using one public and one large industrial dataset, we experimentally show that state-of-the-art SBRSs have low performance on sparse sessions with sparse items. We propose M2TRec, a Metadata-aware Multi-task Transformer model for session-based recommendations. Our proposed method learns a transformation function from item metadata to embeddings, and is thus, item-ID free (i.e., does not need to learn one embedding per item). It integrates item metadata to learn shared representations of diverse item attributes. During inference, new or unpopular items will be assigned identical representations for the attributes they share with items previously observed during training, and thus will have similar representations with those items, enabling recommendations of even cold-start and sparse items. Additionally, M2TRec is trained in a multi-task setting to predict the next item in the session along with its primary category and subcategories. Our multi-task strategy makes the model converge faster and significantly improves the overall performance. Experimental results show significant performance gains using our proposed approach on sparse items on the two datasets.

S^{2}FT: Efficient, Scalable and Generalizable LLM Fine-tuning by Structured Sparsity

Current PEFT methods for LLMs can achieve either high quality, efficient training, or scalable serving, but not all three simultaneously. To address this limitation, we investigate sparse fine-tuning and observe a remarkable improvement in generalization ability. Utilizing this key insight, we propose a family of Structured Sparse Fine-Tuning (S^{2}FT) methods for LLMs, which concurrently achieve state-of-the-art fine-tuning performance, training efficiency, and inference scalability. S^{2}FT accomplishes this by "selecting sparsely and computing densely". It selects a few heads and channels in the MHA and FFN modules for each Transformer block, respectively. Next, it co-permutes weight matrices on both sides of the coupled structures in LLMs to connect the selected components in each layer into a dense submatrix. Finally, S^{2}FT performs in-place gradient updates on all submatrices. Through theoretical analysis and empirical results, our method prevents forgetting while simplifying optimization, delivers SOTA performance on both commonsense and arithmetic reasoning with 4.6% and 1.3% average improvements compared to LoRA, and surpasses full FT by 11.5% when generalizing to various domains after instruction tuning. Using our partial backpropagation algorithm, S^{2}FT saves training memory up to 3times and improves latency by 1.5-2.7times compared to full FT, while delivering an average 10% improvement over LoRA on both metrics. We further demonstrate that the weight updates in S^{2}FT can be decoupled into adapters, enabling effective fusion, fast switch, and efficient parallelism for serving multiple fine-tuned models.

On the Parameterization and Initialization of Diagonal State Space Models

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

Deep Model Assembling

Large deep learning models have achieved remarkable success in many scenarios. However, training large models is usually challenging, e.g., due to the high computational cost, the unstable and painfully slow optimization procedure, and the vulnerability to overfitting. To alleviate these problems, this work studies a divide-and-conquer strategy, i.e., dividing a large model into smaller modules, training them independently, and reassembling the trained modules to obtain the target model. This approach is promising since it avoids directly training large models from scratch. Nevertheless, implementing this idea is non-trivial, as it is difficult to ensure the compatibility of the independently trained modules. In this paper, we present an elegant solution to address this issue, i.e., we introduce a global, shared meta model to implicitly link all the modules together. This enables us to train highly compatible modules that collaborate effectively when they are assembled together. We further propose a module incubation mechanism that enables the meta model to be designed as an extremely shallow network. As a result, the additional overhead introduced by the meta model is minimalized. Though conceptually simple, our method significantly outperforms end-to-end (E2E) training in terms of both final accuracy and training efficiency. For example, on top of ViT-Huge, it improves the accuracy by 2.7% compared to the E2E baseline on ImageNet-1K, while saving the training cost by 43% in the meantime. Code is available at https://github.com/LeapLabTHU/Model-Assembling.

The Vendi Score: A Diversity Evaluation Metric for Machine Learning

Diversity is an important criterion for many areas of machine learning (ML), including generative modeling and dataset curation. Yet little work has gone into understanding, formalizing, and measuring diversity in ML. In this paper, we address the diversity evaluation problem by proposing the Vendi Score, which connects and extends ideas from ecology and quantum statistical mechanics to ML. The Vendi Score is defined as the exponential of the Shannon entropy of the eigenvalues of a similarity matrix. This matrix is induced by a user-defined similarity function applied to the sample to be evaluated for diversity. In taking a similarity function as input, the Vendi Score enables its user to specify any desired form of diversity. Importantly, unlike many existing metrics in ML, the Vendi Score doesn't require a reference dataset or distribution over samples or labels, it is therefore general and applicable to any generative model, decoding algorithm, and dataset from any domain where similarity can be defined. We showcased the Vendi Score on molecular generative modeling, a domain where diversity plays an important role in enabling the discovery of novel molecules. We found that the Vendi Score addresses shortcomings of the current diversity metric of choice in that domain. We also applied the Vendi Score to generative models of images and decoding algorithms of text and found it confirms known results about diversity in those domains. Furthermore, we used the Vendi Score to measure mode collapse, a known limitation of generative adversarial networks (GANs). In particular, the Vendi Score revealed that even GANs that capture all the modes of a labeled dataset can be less diverse than the original dataset. Finally, the interpretability of the Vendi Score allowed us to diagnose several benchmark ML datasets for diversity, opening the door for diversity-informed data augmentation.

PLeaS -- Merging Models with Permutations and Least Squares

The democratization of machine learning systems has made the process of fine-tuning accessible to practitioners, leading to a wide range of open-source models fine-tuned on specialized tasks and datasets. Recent work has proposed to merge such models to combine their functionalities. However, prior approaches are usually restricted to models that are fine-tuned from the same base model. Furthermore, the final merged model is typically required to be of the same size as the original models. In this work, we propose a new two-step algorithm to merge models -- termed PLeaS -- which relaxes these constraints. First, leveraging the Permutation symmetries inherent in the two models, PLeaS partially matches nodes in each layer by maximizing alignment. Next, PLeaS computes the weights of the merged model as a layer-wise Least Squares solution to minimize the approximation error between the features of the merged model and the permuted features of the original models. PLeaS allows a practitioner to merge two models sharing the same architecture into a single performant model of a desired size, even when the two original models are fine-tuned from different base models. We also demonstrate how our method can be extended to address a challenging scenario where no data is available from the fine-tuning domains. We demonstrate our method to merge ResNet and ViT models trained with shared and different label spaces, and show improvement over the state-of-the-art merging methods of up to 15 percentage points for the same target compute while merging models trained on DomainNet and fine-grained classification tasks. Our code is open-sourced at https://github.com/SewoongLab/PLeaS-Merging .

Ensemble One-dimensional Convolution Neural Networks for Skeleton-based Action Recognition

In this paper, we proposed a effective but extensible residual one-dimensional convolution neural network as base network, based on the this network, we proposed four subnets to explore the features of skeleton sequences from each aspect. Given a skeleton sequences, the spatial information are encoded into the skeleton joints coordinate in a frame and the temporal information are present by multiple frames. Limited by the skeleton sequence representations, two-dimensional convolution neural network cannot be used directly, we chose one-dimensional convolution layer as the basic layer. Each sub network could extract discriminative features from different aspects. Our first subnet is a two-stream network which could explore both temporal and spatial information. The second is a body-parted network, which could gain micro spatial features and macro temporal features. The third one is an attention network, the main contribution of which is to focus the key frames and feature channels which high related with the action classes in a skeleton sequence. One frame-difference network, as the last subnet, mainly processes the joints changes between the consecutive frames. Four subnets ensemble together by late fusion, the key problem of ensemble method is each subnet should have a certain performance and between the subnets, there are diversity existing. Each subnet shares a wellperformance basenet and differences between subnets guaranteed the diversity. Experimental results show that the ensemble network gets a state-of-the-art performance on three widely used datasets.

Fast and Accurate Network Embeddings via Very Sparse Random Projection

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

Attention-based Dynamic Subspace Learners for Medical Image Analysis

Learning similarity is a key aspect in medical image analysis, particularly in recommendation systems or in uncovering the interpretation of anatomical data in images. Most existing methods learn such similarities in the embedding space over image sets using a single metric learner. Images, however, have a variety of object attributes such as color, shape, or artifacts. Encoding such attributes using a single metric learner is inadequate and may fail to generalize. Instead, multiple learners could focus on separate aspects of these attributes in subspaces of an overarching embedding. This, however, implies the number of learners to be found empirically for each new dataset. This work, Dynamic Subspace Learners, proposes to dynamically exploit multiple learners by removing the need of knowing apriori the number of learners and aggregating new subspace learners during training. Furthermore, the visual interpretability of such subspace learning is enforced by integrating an attention module into our method. This integrated attention mechanism provides a visual insight of discriminative image features that contribute to the clustering of image sets and a visual explanation of the embedding features. The benefits of our attention-based dynamic subspace learners are evaluated in the application of image clustering, image retrieval, and weakly supervised segmentation. Our method achieves competitive results with the performances of multiple learners baselines and significantly outperforms the classification network in terms of clustering and retrieval scores on three different public benchmark datasets. Moreover, our attention maps offer a proxy-labels, which improves the segmentation accuracy up to 15% in Dice scores when compared to state-of-the-art interpretation techniques.

PA&DA: Jointly Sampling PAth and DAta for Consistent NAS

Based on the weight-sharing mechanism, one-shot NAS methods train a supernet and then inherit the pre-trained weights to evaluate sub-models, largely reducing the search cost. However, several works have pointed out that the shared weights suffer from different gradient descent directions during training. And we further find that large gradient variance occurs during supernet training, which degrades the supernet ranking consistency. To mitigate this issue, we propose to explicitly minimize the gradient variance of the supernet training by jointly optimizing the sampling distributions of PAth and DAta (PA&DA). We theoretically derive the relationship between the gradient variance and the sampling distributions, and reveal that the optimal sampling probability is proportional to the normalized gradient norm of path and training data. Hence, we use the normalized gradient norm as the importance indicator for path and training data, and adopt an importance sampling strategy for the supernet training. Our method only requires negligible computation cost for optimizing the sampling distributions of path and data, but achieves lower gradient variance during supernet training and better generalization performance for the supernet, resulting in a more consistent NAS. We conduct comprehensive comparisons with other improved approaches in various search spaces. Results show that our method surpasses others with more reliable ranking performance and higher accuracy of searched architectures, showing the effectiveness of our method. Code is available at https://github.com/ShunLu91/PA-DA.

DiMSUM: Diffusion Mamba -- A Scalable and Unified Spatial-Frequency Method for Image Generation

We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.

Subgraph Permutation Equivariant Networks

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of k-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

Relative representations enable zero-shot latent space communication

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Deep Task-specific Bottom Representation Network for Multi-Task Recommendation

Neural-based multi-task learning (MTL) has gained significant improvement, and it has been successfully applied to recommendation system (RS). Recent deep MTL methods for RS (e.g. MMoE, PLE) focus on designing soft gating-based parameter-sharing networks that implicitly learn a generalized representation for each task. However, MTL methods may suffer from performance degeneration when dealing with conflicting tasks, as negative transfer effects can occur on the task-shared bottom representation. This can result in a reduced capacity for MTL methods to capture task-specific characteristics, ultimately impeding their effectiveness and hindering the ability to generalize well on all tasks. In this paper, we focus on the bottom representation learning of MTL in RS and propose the Deep Task-specific Bottom Representation Network (DTRN) to alleviate the negative transfer problem. DTRN obtains task-specific bottom representation explicitly by making each task have its own representation learning network in the bottom representation modeling stage. Specifically, it extracts the user's interests from multiple types of behavior sequences for each task through the parameter-efficient hypernetwork. To further obtain the dedicated representation for each task, DTRN refines the representation of each feature by employing a SENet-like network for each task. The two proposed modules can achieve the purpose of getting task-specific bottom representation to relieve tasks' mutual interference. Moreover, the proposed DTRN is flexible to combine with existing MTL methods. Experiments on one public dataset and one industrial dataset demonstrate the effectiveness of the proposed DTRN.

AutoDistil: Few-shot Task-agnostic Neural Architecture Search for Distilling Large Language Models

Knowledge distillation (KD) methods compress large models into smaller students with manually-designed student architectures given pre-specified computational cost. This requires several trials to find a viable student, and further repeating the process for each student or computational budget change. We use Neural Architecture Search (NAS) to automatically distill several compressed students with variable cost from a large model. Current works train a single SuperLM consisting of millions of subnetworks with weight-sharing, resulting in interference between subnetworks of different sizes. Our framework AutoDistil addresses above challenges with the following steps: (a) Incorporates inductive bias and heuristics to partition Transformer search space into K compact sub-spaces (K=3 for typical student sizes of base, small and tiny); (b) Trains one SuperLM for each sub-space using task-agnostic objective (e.g., self-attention distillation) with weight-sharing of students; (c) Lightweight search for the optimal student without re-training. Fully task-agnostic training and search allow students to be reused for fine-tuning on any downstream task. Experiments on GLUE benchmark against state-of-the-art KD and NAS methods demonstrate AutoDistil to outperform leading compression techniques with upto 2.7x reduction in computational cost and negligible loss in task performance.

Hyperspectral Unmixing: Ground Truth Labeling, Datasets, Benchmark Performances and Survey

Hyperspectral unmixing (HU) is a very useful and increasingly popular preprocessing step for a wide range of hyperspectral applications. However, the HU research has been constrained a lot by three factors: (a) the number of hyperspectral images (especially the ones with ground truths) are very limited; (b) the ground truths of most hyperspectral images are not shared on the web, which may cause lots of unnecessary troubles for researchers to evaluate their algorithms; (c) the codes of most state-of-the-art methods are not shared, which may also delay the testing of new methods. Accordingly, this paper deals with the above issues from the following three perspectives: (1) as a profound contribution, we provide a general labeling method for the HU. With it, we labeled up to 15 hyperspectral images, providing 18 versions of ground truths. To the best of our knowledge, this is the first paper to summarize and share up to 15 hyperspectral images and their 18 versions of ground truths for the HU. Observing that the hyperspectral classification (HyC) has much more standard datasets (whose ground truths are generally publicly shared) than the HU, we propose an interesting method to transform the HyC datasets for the HU research. (2) To further facilitate the evaluation of HU methods under different conditions, we reviewed and implemented the algorithm to generate a complex synthetic hyperspectral image. By tuning the hyper-parameters in the code, we may verify the HU methods from four perspectives. The code would also be shared on the web. (3) To provide a standard comparison, we reviewed up to 10 state-of-the-art HU algorithms, then selected the 5 most benchmark HU algorithms, and compared them on the 15 real hyperspectral datasets. The experiment results are surely reproducible; the implemented codes would be shared on the web.

Merging Models on the Fly Without Retraining: A Sequential Approach to Scalable Continual Model Merging

Deep model merging represents an emerging research direction that combines multiple fine-tuned models to harness their specialized capabilities across different tasks and domains. Current model merging techniques focus on merging all available models simultaneously, with weight interpolation-based methods being the predominant approaches. However, these conventional approaches are not well-suited for scenarios where models become available sequentially, and they often suffer from high memory requirements and potential interference between tasks. In this study, we propose a training-free projection-based continual merging method that processes models sequentially through orthogonal projections of weight matrices and adaptive scaling mechanisms. Our method operates by projecting new parameter updates onto subspaces orthogonal to existing merged parameter updates while using an adaptive scaling mechanism to maintain stable parameter distances, enabling efficient sequential integration of task-specific knowledge. Our approach maintains constant memory complexity to the number of models, minimizes interference between tasks through orthogonal projections, and retains the performance of previously merged models through adaptive task vector scaling. Extensive experiments on CLIP-ViT models demonstrate that our method achieves a 5-8% average accuracy improvement while maintaining robust performance in different task orderings.