Daily Papers

Layout generation is the keystone in achieving automated graphic design, requiring arranging the position and size of various multi-modal design elements in a visually pleasing and constraint-following manner. Previous approaches are either inefficient for large-scale applications or lack flexibility for varying design requirements. Our research introduces a unified framework for automated graphic layout generation, leveraging the multi-modal large language model (MLLM) to accommodate diverse design tasks. In contrast, our data-driven method employs structured text (JSON format) and visual instruction tuning to generate layouts under specific visual and textual constraints, including user-defined natural language specifications. We conducted extensive experiments and achieved state-of-the-art (SOTA) performance on public multi-modal layout generation benchmarks, demonstrating the effectiveness of our method. Moreover, recognizing existing datasets' limitations in capturing the complexity of real-world graphic designs, we propose two new datasets for much more challenging tasks (user-constrained generation and complicated poster), further validating our model's utility in real-life settings. Marking by its superior accessibility and adaptability, this approach further automates large-scale graphic design tasks. The code and datasets will be publicly available on https://github.com/posterllava/PosterLLaVA.

Photo-realistic image restoration algorithms are typically evaluated by distortion measures (e.g., PSNR, SSIM) and by perceptual quality measures (e.g., FID, NIQE), where the desire is to attain the lowest possible distortion without compromising on perceptual quality. To achieve this goal, current methods typically attempt to sample from the posterior distribution, or to optimize a weighted sum of a distortion loss (e.g., MSE) and a perceptual quality loss (e.g., GAN). Unlike previous works, this paper is concerned specifically with the optimal estimator that minimizes the MSE under a constraint of perfect perceptual index, namely where the distribution of the reconstructed images is equal to that of the ground-truth ones. A recent theoretical result shows that such an estimator can be constructed by optimally transporting the posterior mean prediction (MMSE estimate) to the distribution of the ground-truth images. Inspired by this result, we introduce Posterior-Mean Rectified Flow (PMRF), a simple yet highly effective algorithm that approximates this optimal estimator. In particular, PMRF first predicts the posterior mean, and then transports the result to a high-quality image using a rectified flow model that approximates the desired optimal transport map. We investigate the theoretical utility of PMRF and demonstrate that it consistently outperforms previous methods on a variety of image restoration tasks.

Rapid advancements in large language models have unlocked remarkable capabilities when it comes to processing and summarizing unstructured text data. This has implications for the analysis of rich, open-ended datasets, such as survey responses, where LLMs hold the promise of efficiently distilling key themes and sentiments. However, as organizations increasingly turn to these powerful AI systems to make sense of textual feedback, a critical question arises, can we trust LLMs to accurately represent the perspectives contained within these text based datasets? While LLMs excel at generating human-like summaries, there is a risk that their outputs may inadvertently diverge from the true substance of the original responses. Discrepancies between the LLM-generated outputs and the actual themes present in the data could lead to flawed decision-making, with far-reaching consequences for organizations. This research investigates the effectiveness of LLMs as judge models to evaluate the thematic alignment of summaries generated by other LLMs. We utilized an Anthropic Claude model to generate thematic summaries from open-ended survey responses, with Amazon's Titan Express, Nova Pro, and Meta's Llama serving as LLM judges. The LLM-as-judge approach was compared to human evaluations using Cohen's kappa, Spearman's rho, and Krippendorff's alpha, validating a scalable alternative to traditional human centric evaluation methods. Our findings reveal that while LLMs as judges offer a scalable solution comparable to human raters, humans may still excel at detecting subtle, context-specific nuances. This research contributes to the growing body of knowledge on AI assisted text analysis. We discuss limitations and provide recommendations for future research, emphasizing the need for careful consideration when generalizing LLM judge models across various contexts and use cases.

Generating accurate and concise textual summaries from multimodal documents is challenging, especially when dealing with visually complex content like scientific posters. We introduce PosterSum, a novel benchmark to advance the development of vision-language models that can understand and summarize scientific posters into research paper abstracts. Our dataset contains 16,305 conference posters paired with their corresponding abstracts as summaries. Each poster is provided in image format and presents diverse visual understanding challenges, such as complex layouts, dense text regions, tables, and figures. We benchmark state-of-the-art Multimodal Large Language Models (MLLMs) on PosterSum and demonstrate that they struggle to accurately interpret and summarize scientific posters. We propose Segment & Summarize, a hierarchical method that outperforms current MLLMs on automated metrics, achieving a 3.14% gain in ROUGE-L. This will serve as a starting point for future research on poster summarization.

As the capabilities of Large Language Models (LLMs) continue to advance, the field of patent processing has garnered increased attention within the natural language processing community. However, the majority of research has been concentrated on classification tasks, such as patent categorization and examination, or on short text generation tasks like patent summarization and patent quizzes. In this paper, we introduce a novel and practical task known as Draft2Patent, along with its corresponding D2P benchmark, which challenges LLMs to generate full-length patents averaging 17K tokens based on initial drafts. Patents present a significant challenge to LLMs due to their specialized nature, standardized terminology, and extensive length. We propose a multi-agent framework called AutoPatent which leverages the LLM-based planner agent, writer agents, and examiner agent with PGTree and RRAG to generate lengthy, intricate, and high-quality complete patent documents. The experimental results demonstrate that our AutoPatent framework significantly enhances the ability to generate comprehensive patents across various LLMs. Furthermore, we have discovered that patents generated solely with the AutoPatent framework based on the Qwen2.5-7B model outperform those produced by larger and more powerful LLMs, such as GPT-4o, Qwen2.5-72B, and LLAMA3.1-70B, in both objective metrics and human evaluations. We will make the data and code available upon acceptance at https://github.com/QiYao-Wang/AutoPatent.

This paper explores the potential of cryogenic semiconductor computing and superconductor electronics as promising alternatives to traditional semiconductor devices. As semiconductor devices face challenges such as increased leakage currents and reduced performance at higher temperatures, these novel technologies offer high performance and low power computation. Conventional semiconductor electronics operating at cryogenic temperatures (below -150{\deg}C or 123.15 K) can benefit from reduced leakage currents and improved electron mobility. On the other hand, superconductor electronics, operating below 10 K, allow electrons to flow without resistance, offering the potential for ultra-low-power, high-speed computation. This study presents a comprehensive performance modeling and analysis of these technologies and provides insights into their potential benefits and limitations. We implement models of in-order and out-of-order cores operating at high clock frequencies associated with superconductor electronics and cryogenic semiconductor computing in gem5. We evaluate the performance of these components using workloads representative of real-world applications like NPB, SPEC CPU2006, and GAPBS. Our results show the potential speedups achievable by these components and the limitations posed by cache bandwidth. This work provides valuable insights into the performance implications and design trade-offs associated with cryogenic and superconductor technologies, laying the foundation for future research in this field using gem5.

Posters play a crucial role in marketing and advertising, contributing significantly to industrial design by enhancing visual communication and brand visibility. With recent advances in controllable text-to-image diffusion models, more concise research is now focusing on rendering text within synthetic images. Despite improvements in text rendering accuracy, the field of end-to-end poster generation remains underexplored. This complex task involves striking a balance between text rendering accuracy and automated layout to produce high-resolution images with variable aspect ratios. To tackle this challenge, we propose an end-to-end text rendering framework employing a triple cross-attention mechanism rooted in align learning, designed to create precise poster text within detailed contextual backgrounds. Additionally, we introduce a high-resolution dataset that exceeds 1024 pixels in image resolution. Our approach leverages the SDXL architecture. Extensive experiments validate the ability of our method to generate poster images featuring intricate and contextually rich backgrounds. Codes will be available at https://github.com/OPPO-Mente-Lab/GlyphDraw2.

We introduce Posterior Distillation Sampling (PDS), a novel optimization method for parametric image editing based on diffusion models. Existing optimization-based methods, which leverage the powerful 2D prior of diffusion models to handle various parametric images, have mainly focused on generation. Unlike generation, editing requires a balance between conforming to the target attribute and preserving the identity of the source content. Recent 2D image editing methods have achieved this balance by leveraging the stochastic latent encoded in the generative process of diffusion models. To extend the editing capabilities of diffusion models shown in pixel space to parameter space, we reformulate the 2D image editing method into an optimization form named PDS. PDS matches the stochastic latents of the source and the target, enabling the sampling of targets in diverse parameter spaces that align with a desired attribute while maintaining the source's identity. We demonstrate that this optimization resembles running a generative process with the target attribute, but aligning this process with the trajectory of the source's generative process. Extensive editing results in Neural Radiance Fields and Scalable Vector Graphics representations demonstrate that PDS is capable of sampling targets to fulfill the aforementioned balance across various parameter spaces.

Pulsar wind nebulae (PWNe), especially the young ones, are among the most energetic astrophysical sources in the Galaxy. It is usually believed that the spin-down energy injected from the pulsars is converted into magnetic field and relativistic electrons, but the possible presence of proton acceleration inside PWNe cannot be ruled out. Previous works have estimated the neutrino emission from PWNe using various source catalogs measured in gamma-rays. However, such results rely on the sensitivity of TeV gamma-ray observations and may omit the contribution by unresolved sources. Here we estimate the potential neutrino emission from a synthetic population of PWNe in the Galaxy with a focus on the ones that are still in the free expansion phase. In the calculation, we model the temporal evolution of the free-expanding PWNe and consider the transport of protons inside the PWNe. The Crab nebula is treated as a standard template for young PWNe to evaluate some model parameters, such as the energy conversion fraction of relativistic protons and the target gas density for the hadronic process, which are relevant to neutrino production. In the optimistic case, the neutrino flux from the simulated young PWNe may constitute to 5% of the measured flux by IceCube around 100 TeV. At higher energy around 1 PeV, the neutrino emission from the population highly depends on the injection spectral shape, and also on the emission of the nearby prominent sources.

Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven processes. However, molecules generated by artificial intelligence may unintentionally infringe on existing patents, posing legal and financial risks that impede the full automation of drug discovery pipelines. This paper introduces PatentFinder, a novel multi-agent and tool-enhanced intelligence system that can accurately and comprehensively evaluate small molecules for patent infringement. PatentFinder features five specialized agents that collaboratively analyze patent claims and molecular structures with heuristic and model-based tools, generating interpretable infringement reports. To support systematic evaluation, we curate MolPatent-240, a benchmark dataset tailored for patent infringement assessment algorithms. On this benchmark, PatentFinder outperforms baseline methods that rely solely on large language models or specialized chemical tools, achieving a 13.8% improvement in F1-score and a 12% increase in accuracy. Additionally, PatentFinder autonomously generates detailed and interpretable patent infringement reports, showcasing enhanced accuracy and improved interpretability. The high accuracy and interpretability of PatentFinder make it a valuable and reliable tool for automating patent infringement assessments, offering a practical solution for integrating patent protection analysis into the drug discovery pipeline.

This paper presents Patent-CR, the first dataset created for the patent claim revision task in English. It includes both initial patent applications rejected by patent examiners and the final granted versions. Unlike normal text revision tasks that predominantly focus on enhancing sentence quality, such as grammar correction and coherence improvement, patent claim revision aims at ensuring the claims meet stringent legal criteria. These criteria are beyond novelty and inventiveness, including clarity of scope, technical accuracy, language precision, and legal robustness. We assess various large language models (LLMs) through professional human evaluation, including general LLMs with different sizes and architectures, text revision models, and domain-specific models. Our results indicate that LLMs often bring ineffective edits that deviate from the target revisions. In addition, domain-specific models and the method of fine-tuning show promising results. Notably, GPT-4 outperforms other tested LLMs, but further revisions are still necessary to reach the examination standard. Furthermore, we demonstrate the inconsistency between automated and human evaluation results, suggesting that GPT-4-based automated evaluation has the highest correlation with human judgment. This dataset, along with our preliminary empirical research, offers invaluable insights for further exploration in patent claim revision.

A patent must be deemed novel and non-obvious in order to be granted by the US Patent Office (USPTO). If it is not, a US patent examiner will cite the prior work, or prior art, that invalidates the novelty and issue a non-final rejection. Predicting what claims of the invention should change given the prior art is an essential and crucial step in securing invention rights, yet has not been studied before as a learnable task. In this work we introduce the PatentEdits dataset, which contains 105K examples of successful revisions that overcome objections to novelty. We design algorithms to label edits sentence by sentence, then establish how well these edits can be predicted with large language models (LLMs). We demonstrate that evaluating textual entailment between cited references and draft sentences is especially effective in predicting which inventive claims remained unchanged or are novel in relation to prior art.

In the field of image editing, three core challenges persist: controllability, background preservation, and efficiency. Inversion-based methods rely on time-consuming optimization to preserve the features of the initial images, which results in low efficiency due to the requirement for extensive network inference. Conversely, inversion-free methods lack theoretical support for background similarity, as they circumvent the issue of maintaining initial features to achieve efficiency. As a consequence, none of these methods can achieve both high efficiency and background consistency. To tackle the challenges and the aforementioned disadvantages, we introduce PostEdit, a method that incorporates a posterior scheme to govern the diffusion sampling process. Specifically, a corresponding measurement term related to both the initial features and Langevin dynamics is introduced to optimize the estimated image generated by the given target prompt. Extensive experimental results indicate that the proposed PostEdit achieves state-of-the-art editing performance while accurately preserving unedited regions. Furthermore, the method is both inversion- and training-free, necessitating approximately 1.5 seconds and 18 GB of GPU memory to generate high-quality results.

Medical images and radiology reports are crucial for diagnosing medical conditions, highlighting the importance of quantitative analysis for clinical decision-making. However, the diversity and cross-source heterogeneity of these data challenge the generalizability of current data-mining methods. Multimodal large language models (MLLMs) have recently transformed many domains, significantly affecting the medical field. Notably, Gemini-Vision-series (Gemini) and GPT-4-series (GPT-4) models have epitomized a paradigm shift in Artificial General Intelligence (AGI) for computer vision, showcasing their potential in the biomedical domain. In this study, we evaluated the performance of the Gemini, GPT-4, and 4 popular large models for an exhaustive evaluation across 14 medical imaging datasets, including 5 medical imaging categories (dermatology, radiology, dentistry, ophthalmology, and endoscopy), and 3 radiology report datasets. The investigated tasks encompass disease classification, lesion segmentation, anatomical localization, disease diagnosis, report generation, and lesion detection. Our experimental results demonstrated that Gemini-series models excelled in report generation and lesion detection but faces challenges in disease classification and anatomical localization. Conversely, GPT-series models exhibited proficiency in lesion segmentation and anatomical localization but encountered difficulties in disease diagnosis and lesion detection. Additionally, both the Gemini series and GPT series contain models that have demonstrated commendable generation efficiency. While both models hold promise in reducing physician workload, alleviating pressure on limited healthcare resources, and fostering collaboration between clinical practitioners and artificial intelligence technologies, substantial enhancements and comprehensive validations remain imperative before clinical deployment.

Evaluating anomaly detection algorithms in time series data is critical as inaccuracies can lead to flawed decision-making in various domains where real-time analytics and data-driven strategies are essential. Traditional performance metrics assume iid data and fail to capture the complex temporal dynamics and specific characteristics of time series anomalies, such as early and delayed detections. We introduce Proximity-Aware Time series anomaly Evaluation (PATE), a novel evaluation metric that incorporates the temporal relationship between prediction and anomaly intervals. PATE uses proximity-based weighting considering buffer zones around anomaly intervals, enabling a more detailed and informed assessment of a detection. Using these weights, PATE computes a weighted version of the area under the Precision and Recall curve. Our experiments with synthetic and real-world datasets show the superiority of PATE in providing more sensible and accurate evaluations than other evaluation metrics. We also tested several state-of-the-art anomaly detectors across various benchmark datasets using the PATE evaluation scheme. The results show that a common metric like Point-Adjusted F1 Score fails to characterize the detection performances well, and that PATE is able to provide a more fair model comparison. By introducing PATE, we redefine the understanding of model efficacy that steers future studies toward developing more effective and accurate detection models.

Visual layout plays a critical role in graphic design fields such as advertising, posters, and web UI design. The recent trend towards content-aware layout generation through generative models has shown promise, yet it often overlooks the semantic intricacies of layout design by treating it as a simple numerical optimization. To bridge this gap, we introduce PosterLlama, a network designed for generating visually and textually coherent layouts by reformatting layout elements into HTML code and leveraging the rich design knowledge embedded within language models. Furthermore, we enhance the robustness of our model with a unique depth-based poster augmentation strategy. This ensures our generated layouts remain semantically rich but also visually appealing, even with limited data. Our extensive evaluations across several benchmarks demonstrate that PosterLlama outperforms existing methods in producing authentic and content-aware layouts. It supports an unparalleled range of conditions, including but not limited to unconditional layout generation, element conditional layout generation, layout completion, among others, serving as a highly versatile user manipulation tool.

In this paper, we approach the problem of uncertainty quantification in deep learning through a predictive framework, which captures uncertainty in model parameters by specifying our assumptions about the predictive distribution of unseen future data. Under this view, we show that deep ensembling (Lakshminarayanan et al., 2017) is a fundamentally mis-specified model class, since it assumes that future data are supported on existing observations only -- a situation rarely encountered in practice. To address this limitation, we propose MixupMP, a method that constructs a more realistic predictive distribution using popular data augmentation techniques. MixupMP operates as a drop-in replacement for deep ensembles, where each ensemble member is trained on a random simulation from this predictive distribution. Grounded in the recently-proposed framework of Martingale posteriors (Fong et al., 2023), MixupMP returns samples from an implicitly defined Bayesian posterior. Our empirical analysis showcases that MixupMP achieves superior predictive performance and uncertainty quantification on various image classification datasets, when compared with existing Bayesian and non-Bayesian approaches.

Large language models (LLMs) trained on vast corpora suffer from inevitable stereotype biases. Mitigating these biases with fine-tuning could be both costly and data-hungry. Model editing methods, which focus on modifying LLMs in a post-hoc manner, are of great potential to address debiasing. However, it lacks a comprehensive study that facilitates both internal and external model editing methods, supports various bias types, as well as understands the pros and cons of applying editing methods to stereotypical debiasing. To mitigate this gap, we carefully formulate social debiasing into an editing problem and benchmark seven existing model editing algorithms on stereotypical debiasing, i.e., debias editing. Our findings in three scenarios reveal both the potential and challenges of debias editing: (1) Existing model editing methods can effectively preserve knowledge and mitigate biases, while the generalization of debias effect from edited sentences to semantically equivalent sentences is limited.(2) Sequential editing highlights the robustness of SERAC (Mitchell et al. 2022b), while internal editing methods degenerate with the number of edits. (3) Model editing algorithms achieve generalization towards unseen biases both within the same type and from different types. In light of these findings, we further propose two simple but effective methods to improve debias editing, and experimentally show the effectiveness of the proposed methods.

Posterior sampling allows the exploitation of prior knowledge of the environment's transition dynamics to improve the sample efficiency of reinforcement learning. The prior is typically specified as a class of parametric distributions, a task that can be cumbersome in practice, often resulting in the choice of uninformative priors. In this work, we propose a novel posterior sampling approach in which the prior is given as a (partial) causal graph over the environment's variables. The latter is often more natural to design, such as listing known causal dependencies between biometric features in a medical treatment study. Specifically, we propose a hierarchical Bayesian procedure, called C-PSRL, simultaneously learning the full causal graph at the higher level and the parameters of the resulting factored dynamics at the lower level. For this procedure, we provide an analysis of its Bayesian regret, which explicitly connects the regret rate with the degree of prior knowledge. Our numerical evaluation conducted in illustrative domains confirms that C-PSRL strongly improves the efficiency of posterior sampling with an uninformative prior while performing close to posterior sampling with the full causal graph.

Posterior sampling has been shown to be a powerful Bayesian approach for solving imaging inverse problems. The recent plug-and-play unadjusted Langevin algorithm (PnP-ULA) has emerged as a promising method for Monte Carlo sampling and minimum mean squared error (MMSE) estimation by combining physical measurement models with deep-learning priors specified using image denoisers. However, the intricate relationship between the sampling distribution of PnP-ULA and the mismatched data-fidelity and denoiser has not been theoretically analyzed. We address this gap by proposing a posterior-L2 pseudometric and using it to quantify an explicit error bound for PnP-ULA under mismatched posterior distribution. We numerically validate our theory on several inverse problems such as sampling from Gaussian mixture models and image deblurring. Our results suggest that the sensitivity of the sampling distribution of PnP-ULA to a mismatch in the measurement model and the denoiser can be precisely characterized.

We propose conditional flows of the maximum mean discrepancy (MMD) with the negative distance kernel for posterior sampling and conditional generative modeling. This MMD, which is also known as energy distance, has several advantageous properties like efficient computation via slicing and sorting. We approximate the joint distribution of the ground truth and the observations using discrete Wasserstein gradient flows and establish an error bound for the posterior distributions. Further, we prove that our particle flow is indeed a Wasserstein gradient flow of an appropriate functional. The power of our method is demonstrated by numerical examples including conditional image generation and inverse problems like superresolution, inpainting and computed tomography in low-dose and limited-angle settings.

Poster layout is a crucial aspect of poster design. Prior methods primarily focus on the correlation between visual content and graphic elements. However, a pleasant layout should also consider the relationship between visual and textual contents and the relationship between elements. In this study, we introduce a relation-aware diffusion model for poster layout generation that incorporates these two relationships in the generation process. Firstly, we devise a visual-textual relation-aware module that aligns the visual and textual representations across modalities, thereby enhancing the layout's efficacy in conveying textual information. Subsequently, we propose a geometry relation-aware module that learns the geometry relationship between elements by comprehensively considering contextual information. Additionally, the proposed method can generate diverse layouts based on user constraints. To advance research in this field, we have constructed a poster layout dataset named CGL-Dataset V2. Our proposed method outperforms state-of-the-art methods on CGL-Dataset V2. The data and code will be available at https://github.com/liuan0803/RADM.

Despite remarkable successes, deep reinforcement learning algorithms remain sample inefficient: they require an enormous amount of trial and error to find good policies. Model-based algorithms promise sample efficiency by building an environment model that can be used for planning. Posterior Sampling for Reinforcement Learning is such a model-based algorithm that has attracted significant interest due to its performance in the tabular setting. This paper introduces Posterior Sampling for Deep Reinforcement Learning (PSDRL), the first truly scalable approximation of Posterior Sampling for Reinforcement Learning that retains its model-based essence. PSDRL combines efficient uncertainty quantification over latent state space models with a specially tailored continual planning algorithm based on value-function approximation. Extensive experiments on the Atari benchmark show that PSDRL significantly outperforms previous state-of-the-art attempts at scaling up posterior sampling while being competitive with a state-of-the-art (model-based) reinforcement learning method, both in sample efficiency and computational efficiency.

Content-aware visual-textual presentation layout aims at arranging spatial space on the given canvas for pre-defined elements, including text, logo, and underlay, which is a key to automatic template-free creative graphic design. In practical applications, e.g., poster designs, the canvas is originally non-empty, and both inter-element relationships as well as inter-layer relationships should be concerned when generating a proper layout. A few recent works deal with them simultaneously, but they still suffer from poor graphic performance, such as a lack of layout variety or spatial non-alignment. Since content-aware visual-textual presentation layout is a novel task, we first construct a new dataset named PosterLayout, which consists of 9,974 poster-layout pairs and 905 images, i.e., non-empty canvases. It is more challenging and useful for greater layout variety, domain diversity, and content diversity. Then, we propose design sequence formation (DSF) that reorganizes elements in layouts to imitate the design processes of human designers, and a novel CNN-LSTM-based conditional generative adversarial network (GAN) is presented to generate proper layouts. Specifically, the discriminator is design-sequence-aware and will supervise the "design" process of the generator. Experimental results verify the usefulness of the new benchmark and the effectiveness of the proposed approach, which achieves the best performance by generating suitable layouts for diverse canvases.

This study provides an efficient approach for using text data to calculate patent-to-patent (p2p) technological similarity, and presents a hybrid framework for leveraging the resulting p2p similarity for applications such as semantic search and automated patent classification. We create embeddings using Sentence-BERT (SBERT) based on patent claims. We leverage SBERTs efficiency in creating embedding distance measures to map p2p similarity in large sets of patent data. We deploy our framework for classification with a simple Nearest Neighbors (KNN) model that predicts Cooperative Patent Classification (CPC) of a patent based on the class assignment of the K patents with the highest p2p similarity. We thereby validate that the p2p similarity captures their technological features in terms of CPC overlap, and at the same demonstrate the usefulness of this approach for automatic patent classification based on text data. Furthermore, the presented classification framework is simple and the results easy to interpret and evaluate by end-users. In the out-of-sample model validation, we are able to perform a multi-label prediction of all assigned CPC classes on the subclass (663) level on 1,492,294 patents with an accuracy of 54% and F1 score > 66%, which suggests that our model outperforms the current state-of-the-art in text-based multi-label and multi-class patent classification. We furthermore discuss the applicability of the presented framework for semantic IP search, patent landscaping, and technology intelligence. We finally point towards a future research agenda for leveraging multi-source patent embeddings, their appropriateness across applications, as well as to improve and validate patent embeddings by creating domain-expert curated Semantic Textual Similarity (STS) benchmark datasets.

Patent examiners need to solve a complex information retrieval task when they assess the novelty and inventive step of claims made in a patent application. Given a claim, they search for prior art, which comprises all relevant publicly available information. This time-consuming task requires a deep understanding of the respective technical domain and the patent-domain-specific language. For these reasons, we address the computer-assisted search for prior art by creating a training dataset for supervised machine learning called PatentMatch. It contains pairs of claims from patent applications and semantically corresponding text passages of different degrees from cited patent documents. Each pair has been labeled by technically-skilled patent examiners from the European Patent Office. Accordingly, the label indicates the degree of semantic correspondence (matching), i.e., whether the text passage is prejudicial to the novelty of the claimed invention or not. Preliminary experiments using a baseline system show that PatentMatch can indeed be used for training a binary text pair classifier on this challenging information retrieval task. The dataset is available online: https://hpi.de/naumann/s/patentmatch.

In this work we focus on fine-tuning a pre-trained BERT model and applying it to patent classification. When applied to large datasets of over two millions patents, our approach outperforms the state of the art by an approach using CNN with word embeddings. In addition, we focus on patent claims without other parts in patent documents. Our contributions include: (1) a new state-of-the-art method based on pre-trained BERT model and fine-tuning for patent classification, (2) a large dataset USPTO-3M at the CPC subclass level with SQL statements that can be used by future researchers, (3) showing that patent claims alone are sufficient for classification task, in contrast to conventional wisdom.

PaECTER is a publicly available, open-source document-level encoder specific for patents. We fine-tune BERT for Patents with examiner-added citation information to generate numerical representations for patent documents. PaECTER performs better in similarity tasks than current state-of-the-art models used in the patent domain. More specifically, our model outperforms the next-best patent specific pre-trained language model (BERT for Patents) on our patent citation prediction test dataset on two different rank evaluation metrics. PaECTER predicts at least one most similar patent at a rank of 1.32 on average when compared against 25 irrelevant patents. Numerical representations generated by PaECTER from patent text can be used for downstream tasks such as classification, tracing knowledge flows, or semantic similarity search. Semantic similarity search is especially relevant in the context of prior art search for both inventors and patent examiners. PaECTER is available on Hugging Face.

Image restoration problems are typically ill-posed in the sense that each degraded image can be restored in infinitely many valid ways. To accommodate this, many works generate a diverse set of outputs by attempting to randomly sample from the posterior distribution of natural images given the degraded input. Here we argue that this strategy is commonly of limited practical value because of the heavy tail of the posterior distribution. Consider for example inpainting a missing region of the sky in an image. Since there is a high probability that the missing region contains no object but clouds, any set of samples from the posterior would be entirely dominated by (practically identical) completions of sky. However, arguably, presenting users with only one clear sky completion, along with several alternative solutions such as airships, birds, and balloons, would better outline the set of possibilities. In this paper, we initiate the study of meaningfully diverse image restoration. We explore several post-processing approaches that can be combined with any diverse image restoration method to yield semantically meaningful diversity. Moreover, we propose a practical approach for allowing diffusion based image restoration methods to generate meaningfully diverse outputs, while incurring only negligent computational overhead. We conduct extensive user studies to analyze the proposed techniques, and find the strategy of reducing similarity between outputs to be significantly favorable over posterior sampling. Code and examples are available at https://noa-cohen.github.io/MeaningfulDiversityInIR.

Recent research on large language models (LLMs) has primarily focused on their adaptation and application in specialized domains. The application of LLMs in the medical field is mainly concentrated on tasks such as the automation of medical report generation, summarization, diagnostic reasoning, and question-and-answer interactions between doctors and patients. The challenge of becoming a good teacher is more formidable than that of becoming a good student, and this study pioneers the application of LLMs in the field of medical education. In this work, we investigate the extent to which LLMs can generate medical qualification exam questions and corresponding answers based on few-shot prompts. Utilizing a real-world Chinese dataset of elderly chronic diseases, we tasked the LLMs with generating open-ended questions and answers based on a subset of sampled admission reports across eight widely used LLMs, including ERNIE 4, ChatGLM 4, Doubao, Hunyuan, Spark 4, Qwen, Llama 3, and Mistral. Furthermore, we engaged medical experts to manually evaluate these open-ended questions and answers across multiple dimensions. The study found that LLMs, after using few-shot prompts, can effectively mimic real-world medical qualification exam questions, whereas there is room for improvement in the correctness, evidence-based statements, and professionalism of the generated answers. Moreover, LLMs also demonstrate a decent level of ability to correct and rectify reference answers. Given the immense potential of artificial intelligence in the medical field, the task of generating questions and answers for medical qualification exams aimed at medical students, interns and residents can be a significant focus of future research.

Modern neural networks are often trained on massive datasets that are web scraped with minimal human inspection. As a result of this insecure curation pipeline, an adversary can poison or backdoor the resulting model by uploading malicious data to the internet and waiting for a victim to scrape and train on it. Existing approaches for creating poisons and backdoors start with randomly sampled clean data, called base samples, and then modify those samples to craft poisons. However, some base samples may be significantly more amenable to poisoning than others. As a result, we may be able to craft more potent poisons by carefully choosing the base samples. In this work, we use guided diffusion to synthesize base samples from scratch that lead to significantly more potent poisons and backdoors than previous state-of-the-art attacks. Our Guided Diffusion Poisoning (GDP) base samples can be combined with any downstream poisoning or backdoor attack to boost its effectiveness. Our implementation code is publicly available at: https://github.com/hsouri/GDP .

In the realm of research, the detection/recognition of text within images/videos captured by cameras constitutes a highly challenging problem for researchers. Despite certain advancements achieving high accuracy, current methods still require substantial improvements to be applicable in practical scenarios. Diverging from text detection in images/videos, this paper addresses the issue of text detection within license plates by amalgamating multiple frames of distinct perspectives. For each viewpoint, the proposed method extracts descriptive features characterizing the text components of the license plate, specifically corner points and area. Concretely, we present three viewpoints: view-1, view-2, and view-3, to identify the nearest neighboring components facilitating the restoration of text components from the same license plate line based on estimations of similarity levels and distance metrics. Subsequently, we employ the CnOCR method for text recognition within license plates. Experimental results on the self-collected dataset (PTITPlates), comprising pairs of images in various scenarios, and the publicly available Stanford Cars Dataset, demonstrate the superiority of the proposed method over existing approaches.

This paper presents a study on the feasibility of using large language models (LLM) for coding with low-resource and domain-specific programming languages that typically lack the amount of data required for effective LLM processing techniques. This study focuses on the econometric scripting language named hansl of the open-source software gretl and employs a proprietary LLM based on GPT-3.5. Our findings suggest that LLMs can be a useful tool for writing, understanding, improving, and documenting gretl code, which includes generating descriptive docstrings for functions and providing precise explanations for abstract and poorly documented econometric code. While the LLM showcased promoting docstring-to-code translation capability, we also identify some limitations, such as its inability to improve certain sections of code and to write accurate unit tests. This study is a step towards leveraging the power of LLMs to facilitate software development in low-resource programming languages and ultimately to lower barriers to entry for their adoption.

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring. Code available at https://github.com/DPS2022/diffusion-posterior-sampling

Neural posterior estimation (NPE), a type of amortized variational inference, is a computationally efficient means of constructing probabilistic catalogs of light sources from astronomical images. To date, NPE has not been used to perform inference in models with spatially varying covariates. However, ground-based astronomical images have spatially varying sky backgrounds and point spread functions (PSFs), and accounting for this variation is essential for constructing accurate catalogs of imaged light sources. In this work, we introduce a method of performing NPE with spatially varying backgrounds and PSFs. In this method, we generate synthetic catalogs and semi-synthetic images for these catalogs using randomly sampled PSF and background estimates from existing surveys. Using this data, we train a neural network, which takes an astronomical image and representations of its background and PSF as input, to output a probabilistic catalog. Our experiments with Sloan Digital Sky Survey data demonstrate the effectiveness of NPE in the presence of spatially varying backgrounds and PSFs for light source detection, star/galaxy separation, and flux measurement.

License plate recognition (LPR) involves automated systems that utilize cameras and computer vision to read vehicle license plates. Such plates collected through LPR can then be compared against databases to identify stolen vehicles, uninsured drivers, crime suspects, and more. The LPR system plays a significant role in saving time for institutions such as the police force. In the past, LPR relied heavily on Optical Character Recognition (OCR), which has been widely explored to recognize characters in images. Usually, collected plate images suffer from various limitations, including noise, blurring, weather conditions, and close characters, making the recognition complex. Existing LPR methods still require significant improvement, especially for distorted images. To fill this gap, we propose utilizing visual language models (VLMs) such as OpenAI GPT4o, Google Gemini 1.5, Google PaliGemma (Pathways Language and Image model + Gemma model), Meta Llama 3.2, Anthropic Claude 3.5 Sonnet, LLaVA, NVIDIA VILA, and moondream2 to recognize such unclear plates with close characters. This paper evaluates the VLM's capability to address the aforementioned problems. Additionally, we introduce ``VehiclePaliGemma'', a fine-tuned Open-sourced PaliGemma VLM designed to recognize plates under challenging conditions. We compared our proposed VehiclePaliGemma with state-of-the-art methods and other VLMs using a dataset of Malaysian license plates collected under complex conditions. The results indicate that VehiclePaliGemma achieved superior performance with an accuracy of 87.6\%. Moreover, it is able to predict the car's plate at a speed of 7 frames per second using A100-80GB GPU. Finally, we explored the multitasking capability of VehiclePaliGemma model to accurately identify plates containing multiple cars of various models and colors, with plates positioned and oriented in different directions.

Dealing with long and highly complex technical text is a challenge for Large Language Models (LLMs), which still have to unfold their potential in supporting expensive and timeintensive processes like patent drafting. Within patents, the description constitutes more than 90% of the document on average. Yet, its automatic generation remains understudied. When drafting patent applications, patent attorneys typically receive invention reports (IRs), which are usually confidential, hindering research on LLM-supported patent drafting. Often, prepublication research papers serve as IRs. We leverage this duality to build PAP2PAT, an open and realistic benchmark for patent drafting consisting of 1.8k patent-paper pairs describing the same inventions. To address the complex longdocument patent generation task, we propose chunk-based outline-guided generation using the research paper as invention specification. Our extensive evaluation using PAP2PAT and a human case study show that LLMs can effectively leverage information from the paper, but still struggle to provide the necessary level of detail. Fine-tuning leads to more patent-style language, but also to more hallucination. We release our data and code https://github.com/boschresearch/Pap2Pat.

Diffusion models have quickly risen in popularity for their ability to model complex distributions and perform effective posterior sampling. Unfortunately, the iterative nature of these generative models makes them computationally expensive and unsuitable for real-time sequential inverse problems such as ultrasound imaging. Considering the strong temporal structure across sequences of frames, we propose a novel approach that models the transition dynamics to improve the efficiency of sequential diffusion posterior sampling in conditional image synthesis. Through modeling sequence data using a video vision transformer (ViViT) transition model based on previous diffusion outputs, we can initialize the reverse diffusion trajectory at a lower noise scale, greatly reducing the number of iterations required for convergence. We demonstrate the effectiveness of our approach on a real-world dataset of high frame rate cardiac ultrasound images and show that it achieves the same performance as a full diffusion trajectory while accelerating inference 25times, enabling real-time posterior sampling. Furthermore, we show that the addition of a transition model improves the PSNR up to 8\% in cases with severe motion. Our method opens up new possibilities for real-time applications of diffusion models in imaging and other domains requiring real-time inference.

Large language models have shown significant capabilities across various domains, including symbolic music generation. However, leveraging these pre-trained models for controllable music arrangement tasks, each requiring different forms of musical information as control, remains a novel challenge. In this paper, we propose a unified sequence-to-sequence framework that enables the fine-tuning of a symbolic music language model for multiple multi-track arrangement tasks, including band arrangement, piano reduction, drum arrangement, and voice separation. Our experiments demonstrate that the proposed approach consistently achieves higher musical quality compared to task-specific baselines across all four tasks. Furthermore, through additional experiments on probing analysis, we show the pre-training phase equips the model with essential knowledge to understand musical conditions, which is hard to acquired solely through task-specific fine-tuning.

As one of the energy-efficient alternatives of conventional neural networks (CNNs), spiking neural networks (SNNs) have gained more and more interest recently. To train the deep models, some effective batch normalization (BN) techniques are proposed in SNNs. All these BNs are suggested to be used after the convolution layer as usually doing in CNNs. However, the spiking neuron is much more complex with the spatio-temporal dynamics. The regulated data flow after the BN layer will be disturbed again by the membrane potential updating operation before the firing function, i.e., the nonlinear activation. Therefore, we advocate adding another BN layer before the firing function to normalize the membrane potential again, called MPBN. To eliminate the induced time cost of MPBN, we also propose a training-inference-decoupled re-parameterization technique to fold the trained MPBN into the firing threshold. With the re-parameterization technique, the MPBN will not introduce any extra time burden in the inference. Furthermore, the MPBN can also adopt the element-wised form, while these BNs after the convolution layer can only use the channel-wised form. Experimental results show that the proposed MPBN performs well on both popular non-spiking static and neuromorphic datasets. Our code is open-sourced at https://github.com/yfguo91/MPBN{MPBN}.

Advertising posters, a form of information presentation, combine visual and linguistic modalities. Creating a poster involves multiple steps and necessitates design experience and creativity. This paper introduces AutoPoster, a highly automatic and content-aware system for generating advertising posters. With only product images and titles as inputs, AutoPoster can automatically produce posters of varying sizes through four key stages: image cleaning and retargeting, layout generation, tagline generation, and style attribute prediction. To ensure visual harmony of posters, two content-aware models are incorporated for layout and tagline generation. Moreover, we propose a novel multi-task Style Attribute Predictor (SAP) to jointly predict visual style attributes. Meanwhile, to our knowledge, we propose the first poster generation dataset that includes visual attribute annotations for over 76k posters. Qualitative and quantitative outcomes from user studies and experiments substantiate the efficacy of our system and the aesthetic superiority of the generated posters compared to other poster generation methods.

The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior collapse, the latent variables extracted by the encoder in VAE preserve less information from the input data and thus fail to produce meaningful representations as input to the reconstruction process in the decoder. While this phenomenon has been an actively addressed topic related to VAE performance, the theory for posterior collapse remains underdeveloped, especially beyond the standard VAE. In this work, we advance the theoretical understanding of posterior collapse to two important and prevalent yet less studied classes of VAE: conditional VAE and hierarchical VAE. Specifically, via a non-trivial theoretical analysis of linear conditional VAE and hierarchical VAE with two levels of latent, we prove that the cause of posterior collapses in these models includes the correlation between the input and output of the conditional VAE and the effect of learnable encoder variance in the hierarchical VAE. We empirically validate our theoretical findings for linear conditional and hierarchical VAE and demonstrate that these results are also predictive for non-linear cases with extensive experiments.

Text irregularities pose significant challenges to scene text recognizers. Thin-Plate Spline (TPS)-based rectification is widely regarded as an effective means to deal with them. Currently, the calculation of TPS transformation parameters purely depends on the quality of regressed text borders. It ignores the text content and often leads to unsatisfactory rectified results for severely distorted text. In this work, we introduce TPS++, an attention-enhanced TPS transformation that incorporates the attention mechanism to text rectification for the first time. TPS++ formulates the parameter calculation as a joint process of foreground control point regression and content-based attention score estimation, which is computed by a dedicated designed gated-attention block. TPS++ builds a more flexible content-aware rectifier, generating a natural text correction that is easier to read by the subsequent recognizer. Moreover, TPS++ shares the feature backbone with the recognizer in part and implements the rectification at feature-level rather than image-level, incurring only a small overhead in terms of parameters and inference time. Experiments on public benchmarks show that TPS++ consistently improves the recognition and achieves state-of-the-art accuracy. Meanwhile, it generalizes well on different backbones and recognizers. Code is at https://github.com/simplify23/TPS_PP.

Variational autoencoders (VAEs) are one of the deep generative models that have experienced enormous success over the past decades. However, in practice, they suffer from a problem called posterior collapse, which occurs when the encoder coincides, or collapses, with the prior taking no information from the latent structure of the input data into consideration. In this work, we introduce an inverse Lipschitz neural network into the decoder and, based on this architecture, provide a new method that can control in a simple and clear manner the degree of posterior collapse for a wide range of VAE models equipped with a concrete theoretical guarantee. We also illustrate the effectiveness of our method through several numerical experiments.

Image animation brings life to the static object in the source image according to the driving video. Recent works attempt to perform motion transfer on arbitrary objects through unsupervised methods without using a priori knowledge. However, it remains a significant challenge for current unsupervised methods when there is a large pose gap between the objects in the source and driving images. In this paper, a new end-to-end unsupervised motion transfer framework is proposed to overcome such issue. Firstly, we propose thin-plate spline motion estimation to produce a more flexible optical flow, which warps the feature maps of the source image to the feature domain of the driving image. Secondly, in order to restore the missing regions more realistically, we leverage multi-resolution occlusion masks to achieve more effective feature fusion. Finally, additional auxiliary loss functions are designed to ensure that there is a clear division of labor in the network modules, encouraging the network to generate high-quality images. Our method can animate a variety of objects, including talking faces, human bodies, and pixel animations. Experiments demonstrate that our method performs better on most benchmarks than the state of the art with visible improvements in pose-related metrics.

Methods of computational quantum chemistry provide accurate approximations of molecular properties crucial for computer-aided drug discovery and other areas of chemical science. However, high computational complexity limits the scalability of their applications. Neural network potentials (NNPs) are a promising alternative to quantum chemistry methods, but they require large and diverse datasets for training. This work presents a new dataset and benchmark called nabla^2DFT that is based on the nablaDFT. It contains twice as much molecular structures, three times more conformations, new data types and tasks, and state-of-the-art models. The dataset includes energies, forces, 17 molecular properties, Hamiltonian and overlap matrices, and a wavefunction object. All calculations were performed at the DFT level (omegaB97X-D/def2-SVP) for each conformation. Moreover, nabla^2DFT is the first dataset that contains relaxation trajectories for a substantial number of drug-like molecules. We also introduce a novel benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks. Finally, we propose an extendable framework for training NNPs and implement 10 models within it.

In this work, we introduce Mini-Gemini, a simple and effective framework enhancing multi-modality Vision Language Models (VLMs). Despite the advancements in VLMs facilitating basic visual dialog and reasoning, a performance gap persists compared to advanced models like GPT-4 and Gemini. We try to narrow the gap by mining the potential of VLMs for better performance and any-to-any workflow from three aspects, i.e., high-resolution visual tokens, high-quality data, and VLM-guided generation. To enhance visual tokens, we propose to utilize an additional visual encoder for high-resolution refinement without increasing the visual token count. We further construct a high-quality dataset that promotes precise image comprehension and reasoning-based generation, expanding the operational scope of current VLMs. In general, Mini-Gemini further mines the potential of VLMs and empowers current frameworks with image understanding, reasoning, and generation simultaneously. Mini-Gemini supports a series of dense and MoE Large Language Models (LLMs) from 2B to 34B. It is demonstrated to achieve leading performance in several zero-shot benchmarks and even surpasses the developed private models. Code and models are available at https://github.com/dvlab-research/MiniGemini.

Mathematical word problem-solving has long been recognized as a complex task for small language models (SLMs). A recent study hypothesized that the smallest model size, needed to achieve over 80% accuracy on the GSM8K benchmark, is 34 billion parameters. To reach this level of performance with smaller models, researcher often train SLMs to generate Python code or use tools to help avoid calculation errors. Additionally, they employ ensembling, where outputs of up to 100 model runs are combined to arrive at a more accurate result. Result selection is done using consensus, majority vote or a separate a verifier model used in conjunction with the SLM. Ensembling provides a substantial boost in accuracy but at a significant cost increase with multiple calls to the model (e.g., Phi-GSM uses top-48 to boost the performance from 68.2 to 81.5). In this work, we present Orca-Math, a 7-billion-parameter SLM based on the Mistral-7B, which achieves 86.81% on GSM8k without the need for multiple model calls or the use of verifiers, code execution or any other external tools. Our approach has the following key elements: (1) A high quality synthetic dataset of 200K math problems created using a multi-agent setup where agents collaborate to create the data, (2) An iterative learning techniques that enables the SLM to practice solving problems, receive feedback on its solutions and learn from preference pairs incorporating the SLM solutions and the feedback. When trained with Supervised Fine-Tuning alone, Orca-Math achieves 81.50% on GSM8k pass@1 metric. With iterative preference learning, Orca-Math achieves 86.81% pass@1. Orca-Math surpasses the performance of significantly larger models such as LLAMA-2-70B, WizardMath-70B, Gemini-Pro, ChatGPT-3.5. It also significantly outperforms other smaller models while using much smaller data (hundreds of thousands vs. millions of problems).

The rapid advancement of large language models (LLMs) has revolutionized natural language processing (NLP). While these models excel at understanding and generating human-like text, their widespread deployment can be prohibitively expensive. SortedNet is a recent training technique for enabling dynamic inference for deep neural networks. It leverages network modularity to create sub-models with varying computational loads, sorting them based on computation/accuracy characteristics in a nested manner. We extend SortedNet to generative NLP tasks, making large language models dynamic without any pretraining and by only replacing standard Supervised Fine-Tuning (SFT) with Sorted Fine-Tuning (SoFT) at the same costs. Our approach boosts model efficiency, eliminating the need for multiple models for various scenarios during inference. We show that using this approach, we are able to unlock the potential of intermediate layers of transformers in generating the target output. Our sub-models remain integral components of the original model, minimizing storage requirements and transition costs between different computational/latency budgets. By applying this approach on LLaMa 2 13B for tuning on the Stanford Alpaca dataset and comparing it to normal tuning and early exit via PandaLM benchmark, we show that Sorted Fine-Tuning can deliver models twice as fast as the original model while maintaining or exceeding performance.

The burgeoning interest in developing Large Language Models (LLMs) with up to trillion parameters has been met with concerns regarding resource efficiency and practical expense, particularly given the immense cost of experimentation. This scenario underscores the importance of exploring the potential of Small Language Models (SLMs) as a resource-efficient alternative. In this context, we introduce MiniCPM, specifically the 1.2B and 2.4B non-embedding parameter variants, not only excel in their respective categories but also demonstrate capabilities on par with 7B-13B LLMs. While focusing on SLMs, our approach exhibits scalability in both model and data dimensions for future LLM research. Regarding model scaling, we employ extensive model wind tunnel experiments for stable and optimal scaling. For data scaling, we introduce a Warmup-Stable-Decay (WSD) learning rate scheduler (LRS), conducive to continuous training and domain adaptation. We present an in-depth analysis of the intriguing training dynamics that occurred in the WSD LRS. With WSD LRS, we are now able to efficiently study data-model scaling law without extensive retraining experiments on both axes of model and data, from which we derive the much higher compute optimal data-model ratio than Chinchilla Optimal. Additionally, we introduce MiniCPM family, including MiniCPM-DPO, MiniCPM-MoE and MiniCPM-128K, whose excellent performance further cementing MiniCPM's foundation in diverse SLM applications. MiniCPM models are available publicly at https://github.com/OpenBMB/MiniCPM .

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment, make decisions, and take actions. Many efforts have been made to develop intelligent AI agents since the mid-20th century. However, these efforts have mainly focused on advancement in algorithms or training strategies to enhance specific capabilities or performance on particular tasks. Actually, what the community lacks is a sufficiently general and powerful model to serve as a starting point for designing AI agents that can adapt to diverse scenarios. Due to the versatile and remarkable capabilities they demonstrate, large language models (LLMs) are regarded as potential sparks for Artificial General Intelligence (AGI), offering hope for building general AI agents. Many research efforts have leveraged LLMs as the foundation to build AI agents and have achieved significant progress. We start by tracing the concept of agents from its philosophical origins to its development in AI, and explain why LLMs are suitable foundations for AI agents. Building upon this, we present a conceptual framework for LLM-based agents, comprising three main components: brain, perception, and action, and the framework can be tailored to suit different applications. Subsequently, we explore the extensive applications of LLM-based agents in three aspects: single-agent scenarios, multi-agent scenarios, and human-agent cooperation. Following this, we delve into agent societies, exploring the behavior and personality of LLM-based agents, the social phenomena that emerge when they form societies, and the insights they offer for human society. Finally, we discuss a range of key topics and open problems within the field.

We investigate the potential implications of Generative Pre-trained Transformer (GPT) models and related technologies on the U.S. labor market. Using a new rubric, we assess occupations based on their correspondence with GPT capabilities, incorporating both human expertise and classifications from GPT-4. Our findings indicate that approximately 80% of the U.S. workforce could have at least 10% of their work tasks affected by the introduction of GPTs, while around 19% of workers may see at least 50% of their tasks impacted. The influence spans all wage levels, with higher-income jobs potentially facing greater exposure. Notably, the impact is not limited to industries with higher recent productivity growth. We conclude that Generative Pre-trained Transformers exhibit characteristics of general-purpose technologies (GPTs), suggesting that as these models could have notable economic, social, and policy implications.

The upscaling of Large Language Models (LLMs) has yielded impressive advances in natural language processing, yet it also poses significant deployment challenges. Weight quantization has emerged as a widely embraced solution to reduce memory and computational demands. This paper introduces BitDistiller, a framework that synergizes Quantization-Aware Training (QAT) with Knowledge Distillation (KD) to boost the performance of LLMs at ultra-low precisions (sub-4-bit). Specifically, BitDistiller first incorporates a tailored asymmetric quantization and clipping technique to maximally preserve the fidelity of quantized weights, and then proposes a novel Confidence-Aware Kullback-Leibler Divergence (CAKLD) objective, which is employed in a self-distillation manner to enable faster convergence and superior model performance. Empirical evaluations demonstrate that BitDistiller significantly surpasses existing methods in both 3-bit and 2-bit configurations on general language understanding and complex reasoning benchmarks. Notably, BitDistiller is shown to be more cost-effective, demanding fewer data and training resources. The code is available at https://github.com/DD-DuDa/BitDistiller.

BERT (Bidirectional Encoder Representations from Transformers) has revolutionized the field of natural language processing through its exceptional performance on numerous tasks. Yet, the majority of researchers have mainly concentrated on enhancements related to the model structure, such as relative position embedding and more efficient attention mechanisms. Others have delved into pretraining tricks associated with Masked Language Modeling, including whole word masking. DeBERTa introduced an enhanced decoder adapted for BERT's encoder model for pretraining, proving to be highly effective. We argue that the design and research around enhanced masked language modeling decoders have been underappreciated. In this paper, we propose several designs of enhanced decoders and introduce DrBERT (Decoder-refined BERT), a novel method for modeling training. Typically, a pretrained BERT model is fine-tuned for specific Natural Language Understanding (NLU) tasks. In our approach, we utilize the original BERT model as the encoder, making only changes to the decoder without altering the encoder. This approach does not necessitate extensive modifications to the model's architecture and can be seamlessly integrated into existing fine-tuning pipelines and services, offering an efficient and effective enhancement strategy. Compared to other methods, while we also incur a moderate training cost for the decoder during the pretraining process, our approach does not introduce additional training costs during the fine-tuning phase. We test multiple enhanced decoder structures after pretraining and evaluate their performance on the GLUE benchmark. Our results demonstrate that DrBERT, having only undergone subtle refinements to the model structure during pretraining, significantly enhances model performance without escalating the inference time and serving budget.

With the rapid growth in the scale of pre-trained foundation models, parameter-efficient fine-tuning techniques have gained significant attention, among which Adapter Tuning is the most widely used. Despite achieving efficiency, Adapter Tuning still underperforms full fine-tuning, and the performance improves at the cost of an increase in parameters. Recent efforts address this issue by pruning the original adapters, but it also introduces training instability and suboptimal performance on certain datasets. Motivated by this, we propose Mixture of Sparse Adapters, or MoSA, as a novel Adapter Tuning method to fully unleash the potential of each parameter in the adapter. We first split the standard adapter into multiple non-overlapping modules, then stochastically activate modules for sparse training, and finally merge them to form a complete adapter after tuning. In this way, MoSA can achieve significantly better performance than standard adapters without any additional computational or storage overhead. Furthermore, we propose a hierarchical sparse strategy to better leverage limited training data. Extensive experiments on a series of 27 visual tasks demonstrate that MoSA consistently outperforms other Adapter Tuning methods as well as other baselines by a significant margin. Furthermore, in two challenging scenarios with low-resource and multi-task settings, MoSA achieves satisfactory results, further demonstrating the effectiveness of our design. Our code will be released.

Denoisers play a central role in many applications, from noise suppression in low-grade imaging sensors, to empowering score-based generative models. The latter category of methods makes use of Tweedie's formula, which links the posterior mean in Gaussian denoising (\ie the minimum MSE denoiser) with the score of the data distribution. Here, we derive a fundamental relation between the higher-order central moments of the posterior distribution, and the higher-order derivatives of the posterior mean. We harness this result for uncertainty quantification of pre-trained denoisers. Particularly, we show how to efficiently compute the principal components of the posterior distribution for any desired region of an image, as well as to approximate the full marginal distribution along those (or any other) one-dimensional directions. Our method is fast and memory-efficient, as it does not explicitly compute or store the high-order moment tensors and it requires no training or fine tuning of the denoiser. Code and examples are available on the project webpage in https://hilamanor.github.io/GaussianDenoisingPosterior/ .

Certain forms of linguistic annotation, like part of speech and semantic tagging, can be automated with high accuracy. However, manual annotation is still necessary for complex pragmatic and discursive features that lack a direct mapping to lexical forms. This manual process is time-consuming and error-prone, limiting the scalability of function-to-form approaches in corpus linguistics. To address this, our study explores automating pragma-discursive corpus annotation using large language models (LLMs). We compare ChatGPT, the Bing chatbot, and a human coder in annotating apology components in English based on the local grammar framework. We find that the Bing chatbot outperformed ChatGPT, with accuracy approaching that of a human coder. These results suggest that AI can be successfully deployed to aid pragma-discursive corpus annotation, making the process more efficient and scalable. Keywords: linguistic annotation, function-to-form approaches, large language models, local grammar analysis, Bing chatbot, ChatGPT

Online Class-Incremental (OCI) learning has sparked new approaches to expand the previously trained model knowledge from sequentially arriving data streams with new classes. Unfortunately, OCI learning can suffer from catastrophic forgetting (CF) as the decision boundaries for old classes can become inaccurate when perturbated by new ones. Existing literature have applied the data augmentation (DA) to alleviate the model forgetting, while the role of DA in OCI has not been well understood so far. In this paper, we theoretically show that augmented samples with lower correlation to the original data are more effective in preventing forgetting. However, aggressive augmentation may also reduce the consistency between data and corresponding labels, which motivates us to exploit proper DA to boost the OCI performance and prevent the CF problem. We propose the Enhanced Mixup (EnMix) method that mixes the augmented samples and their labels simultaneously, which is shown to enhance the sample diversity while maintaining strong consistency with corresponding labels. Further, to solve the class imbalance problem, we design an Adaptive Mixup (AdpMix) method to calibrate the decision boundaries by mixing samples from both old and new classes and dynamically adjusting the label mixing ratio. Our approach is demonstrated to be effective on several benchmark datasets through extensive experiments, and it is shown to be compatible with other replay-based techniques.

In this research work we have proposed high-level ChildDiffusion framework capable of generating photorealistic child facial samples and further embedding several intelligent augmentations on child facial data using short text prompts, detailed textual guidance from LLMs, and further image to image transformation using text guidance control conditioning thus providing an opportunity to curate fully synthetic large scale child datasets. The framework is validated by rendering high-quality child faces representing ethnicity data, micro expressions, face pose variations, eye blinking effects, facial accessories, different hair colours and styles, aging, multiple and different child gender subjects in a single frame. Addressing privacy concerns regarding child data acquisition requires a comprehensive approach that involves legal, ethical, and technological considerations. Keeping this in view this framework can be adapted to synthesise child facial data which can be effectively used for numerous downstream machine learning tasks. The proposed method circumvents common issues encountered in generative AI tools, such as temporal inconsistency and limited control over the rendered outputs. As an exemplary use case we have open-sourced child ethnicity data consisting of 2.5k child facial samples of five different classes which includes African, Asian, White, South Asian/ Indian, and Hispanic races by deploying the model in production inference phase. The rendered data undergoes rigorous qualitative as well as quantitative tests to cross validate its efficacy and further fine-tuning Yolo architecture for detecting and classifying child ethnicity as an exemplary downstream machine learning task.

We introduce the FRactional-Order graph Neural Dynamical network (FROND), a new continuous graph neural network (GNN) framework. Unlike traditional continuous GNNs that rely on integer-order differential equations, FROND employs the Caputo fractional derivative to leverage the non-local properties of fractional calculus. This approach enables the capture of long-term dependencies in feature updates, moving beyond the Markovian update mechanisms in conventional integer-order models and offering enhanced capabilities in graph representation learning. We offer an interpretation of the node feature updating process in FROND from a non-Markovian random walk perspective when the feature updating is particularly governed by a diffusion process. We demonstrate analytically that oversmoothing can be mitigated in this setting. Experimentally, we validate the FROND framework by comparing the fractional adaptations of various established integer-order continuous GNNs, demonstrating their consistently improved performance and underscoring the framework's potential as an effective extension to enhance traditional continuous GNNs. The code is available at https://github.com/zknus/ICLR2024-FROND.

In the domain of data science, the predictive tasks of classification, regression, and imputation of missing values are commonly encountered challenges associated with tabular data. This research endeavors to apply Large Language Models (LLMs) towards addressing these predictive tasks. Despite their proficiency in comprehending natural language, LLMs fall short in dealing with structured tabular data. This limitation stems from their lacking exposure to the intricacies of tabular data during their foundational training. Our research aims to mitigate this gap by compiling a comprehensive corpus of tables annotated with instructions and executing large-scale training of Llama-2 on this enriched dataset. Furthermore, we investigate the practical application of applying the trained model to zero-shot prediction, few-shot prediction, and in-context learning scenarios. Through extensive experiments, our methodology has shown significant improvements over existing benchmarks. These advancements highlight the efficacy of tailoring LLM training to solve table-related problems in data science, thereby establishing a new benchmark in the utilization of LLMs for enhancing tabular intelligence.

We provide a framework for solving inverse problems with diffusion models learned from linearly corrupted data. Our method, Ambient Diffusion Posterior Sampling (A-DPS), leverages a generative model pre-trained on one type of corruption (e.g. image inpainting) to perform posterior sampling conditioned on measurements from a potentially different forward process (e.g. image blurring). We test the efficacy of our approach on standard natural image datasets (CelebA, FFHQ, and AFHQ) and we show that A-DPS can sometimes outperform models trained on clean data for several image restoration tasks in both speed and performance. We further extend the Ambient Diffusion framework to train MRI models with access only to Fourier subsampled multi-coil MRI measurements at various acceleration factors (R=2, 4, 6, 8). We again observe that models trained on highly subsampled data are better priors for solving inverse problems in the high acceleration regime than models trained on fully sampled data. We open-source our code and the trained Ambient Diffusion MRI models: https://github.com/utcsilab/ambient-diffusion-mri .

Recently, Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have shown promise in instruction following and 2D image understanding. While these models are powerful, they have not yet been developed to comprehend the more challenging 3D physical scenes, especially when it comes to the sparse outdoor LiDAR data. In this paper, we introduce LiDAR-LLM, which takes raw LiDAR data as input and harnesses the remarkable reasoning capabilities of LLMs to gain a comprehensive understanding of outdoor 3D scenes. The central insight of our LiDAR-LLM is the reformulation of 3D outdoor scene cognition as a language modeling problem, encompassing tasks such as 3D captioning, 3D grounding, 3D question answering, etc. Specifically, due to the scarcity of 3D LiDAR-text pairing data, we introduce a three-stage training strategy and generate relevant datasets, progressively aligning the 3D modality with the language embedding space of LLM. Furthermore, we design a View-Aware Transformer (VAT) to connect the 3D encoder with the LLM, which effectively bridges the modality gap and enhances the LLM's spatial orientation comprehension of visual features. Our experiments show that LiDAR-LLM possesses favorable capabilities to comprehend various instructions regarding 3D scenes and engage in complex spatial reasoning. LiDAR-LLM attains a 40.9 BLEU-1 on the 3D captioning task and achieves a 63.1\% classification accuracy and a 14.3\% BEV mIoU on the 3D grounding task. Web page: https://sites.google.com/view/lidar-llm

Bayesian filtering approximates the true underlying behavior of a time-varying system by inverting an explicit generative model to convert noisy measurements into state estimates. This process typically requires either storage, inversion, and multiplication of large matrices or Monte Carlo estimation, neither of which are practical in high-dimensional state spaces such as the weight spaces of artificial neural networks. Here, we frame the standard Bayesian filtering problem as optimization over a time-varying objective. Instead of maintaining matrices for the filtering equations or simulating particles, we specify an optimizer that defines the Bayesian filter implicitly. In the linear-Gaussian setting, we show that every Kalman filter has an equivalent formulation using K steps of gradient descent. In the nonlinear setting, our experiments demonstrate that our framework results in filters that are effective, robust, and scalable to high-dimensional systems, comparing well against the standard toolbox of Bayesian filtering solutions. We suggest that it is easier to fine-tune an optimizer than it is to specify the correct filtering equations, making our framework an attractive option for high-dimensional filtering problems.

This paper delves into the pivotal role of prompt engineering in unleashing the capabilities of Large Language Models (LLMs). Prompt engineering is the process of structuring input text for LLMs and is a technique integral to optimizing the efficacy of LLMs. This survey elucidates foundational principles of prompt engineering, such as role-prompting, one-shot, and few-shot prompting, as well as more advanced methodologies such as the chain-of-thought and tree-of-thoughts prompting. The paper sheds light on how external assistance in the form of plugins can assist in this task, and reduce machine hallucination by retrieving external knowledge. We subsequently delineate prospective directions in prompt engineering research, emphasizing the need for a deeper understanding of structures and the role of agents in Artificial Intelligence-Generated Content (AIGC) tools. We discuss how to assess the efficacy of prompt methods from different perspectives and using different methods. Finally, we gather information about the application of prompt engineering in such fields as education and programming, showing its transformative potential. This comprehensive survey aims to serve as a friendly guide for anyone venturing through the big world of LLMs and prompt engineering.

Large language models (LLMs) are trained on massive internet corpora that often contain copyrighted content. This poses legal and ethical challenges for the developers and users of these models, as well as the original authors and publishers. In this paper, we propose a novel technique for unlearning a subset of the training data from a LLM, without having to retrain it from scratch. We evaluate our technique on the task of unlearning the Harry Potter books from the Llama2-7b model (a generative language model recently open-sourced by Meta). While the model took over 184K GPU-hours to pretrain, we show that in about 1 GPU hour of finetuning, we effectively erase the model's ability to generate or recall Harry Potter-related content, while its performance on common benchmarks (such as Winogrande, Hellaswag, arc, boolq and piqa) remains almost unaffected. We make our fine-tuned model publicly available on HuggingFace for community evaluation. To the best of our knowledge, this is the first paper to present an effective technique for unlearning in generative language models. Our technique consists of three main components: First, we use a reinforced model that is further trained on the target data to identify the tokens that are most related to the unlearning target, by comparing its logits with those of a baseline model. Second, we replace idiosyncratic expressions in the target data with generic counterparts, and leverage the model's own predictions to generate alternative labels for every token. These labels aim to approximate the next-token predictions of a model that has not been trained on the target data. Third, we finetune the model on these alternative labels, which effectively erases the original text from the model's memory whenever it is prompted with its context.

Spiking Neural Networks (SNNs) as one of the biology-inspired models have received much attention recently. It can significantly reduce energy consumption since they quantize the real-valued membrane potentials to 0/1 spikes to transmit information thus the multiplications of activations and weights can be replaced by additions when implemented on hardware. However, this quantization mechanism will inevitably introduce quantization error, thus causing catastrophic information loss. To address the quantization error problem, we propose a regularizing membrane potential loss (RMP-Loss) to adjust the distribution which is directly related to quantization error to a range close to the spikes. Our method is extremely simple to implement and straightforward to train an SNN. Furthermore, it is shown to consistently outperform previous state-of-the-art methods over different network architectures and datasets.

This research paper delves into the integration of OpenAI's ChatGPT into embodied agent systems, evaluating its influence on interactive decision-making benchmark. Drawing a parallel to the concept of people assuming roles according to their unique strengths, we introduce InterAct. In this approach, we feed ChatGPT with varied prompts, assigning it a numerous roles like a checker and a sorter, then integrating them with the original language model. Our research shows a remarkable success rate of 98% in AlfWorld, which consists of 6 different tasks in a simulated household environment, emphasizing the significance of proficient prompt engineering. The results highlight ChatGPT's competence in comprehending and performing intricate tasks effectively in real-world settings, thus paving the way for further advancements in task planning.

Cross-lingual semantic parsing transfers parsing capability from a high-resource language (e.g., English) to low-resource languages with scarce training data. Previous work has primarily considered silver-standard data augmentation or zero-shot methods, however, exploiting few-shot gold data is comparatively unexplored. We propose a new approach to cross-lingual semantic parsing by explicitly minimizing cross-lingual divergence between probabilistic latent variables using Optimal Transport. We demonstrate how this direct guidance improves parsing from natural languages using fewer examples and less training. We evaluate our method on two datasets, MTOP and MultiATIS++SQL, establishing state-of-the-art results under a few-shot cross-lingual regime. Ablation studies further reveal that our method improves performance even without parallel input translations. In addition, we show that our model better captures cross-lingual structure in the latent space to improve semantic representation similarity.

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

Bayesian approaches for learning deep neural networks (BNN) have been received much attention and successfully applied to various applications. Particularly, BNNs have the merit of having better generalization ability as well as better uncertainty quantification. For the success of BNN, search an appropriate architecture of the neural networks is an important task, and various algorithms to find good sparse neural networks have been proposed. In this paper, we propose a new node-sparse BNN model which has good theoretical properties and is computationally feasible. We prove that the posterior concentration rate to the true model is near minimax optimal and adaptive to the smoothness of the true model. In particular the adaptiveness is the first of its kind for node-sparse BNNs. In addition, we develop a novel MCMC algorithm which makes the Bayesian inference of the node-sparse BNN model feasible in practice.

This paper presents a new methodology to alleviate the fundamental trade-off between accuracy and latency in spiking neural networks (SNNs). The approach involves decoding confidence information over time from the SNN outputs and using it to develop a decision-making agent that can dynamically determine when to terminate each inference. The proposed method, Dynamic Confidence, provides several significant benefits to SNNs. 1. It can effectively optimize latency dynamically at runtime, setting it apart from many existing low-latency SNN algorithms. Our experiments on CIFAR-10 and ImageNet datasets have demonstrated an average 40% speedup across eight different settings after applying Dynamic Confidence. 2. The decision-making agent in Dynamic Confidence is straightforward to construct and highly robust in parameter space, making it extremely easy to implement. 3. The proposed method enables visualizing the potential of any given SNN, which sets a target for current SNNs to approach. For instance, if an SNN can terminate at the most appropriate time point for each input sample, a ResNet-50 SNN can achieve an accuracy as high as 82.47% on ImageNet within just 4.71 time steps on average. Unlocking the potential of SNNs needs a highly-reliable decision-making agent to be constructed and fed with a high-quality estimation of ground truth. In this regard, Dynamic Confidence represents a meaningful step toward realizing the potential of SNNs.

Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands. On the downside, they need to be trained for each individual system. In recent years, a vast number of MLPs has been trained from scratch because learning additional data typically requires to train again on all data to not forget previously acquired knowledge. Additionally, most common structural descriptors of MLPs cannot represent efficiently a large number of different chemical elements. In this work, we tackle these problems by introducing element-embracing atom-centered symmetry functions (eeACSFs) which combine structural properties and element information from the periodic table. These eeACSFs are a key for our development of a lifelong machine learning potential (lMLP). Uncertainty quantification can be exploited to transgress a fixed, pre-trained MLP to arrive at a continuously adapting lMLP, because a predefined level of accuracy can be ensured. To extend the applicability of an lMLP to new systems, we apply continual learning strategies to enable autonomous and on-the-fly training on a continuous stream of new data. For the training of deep neural networks, we propose the continual resilient (CoRe) optimizer and incremental learning strategies relying on rehearsal of data, regularization of parameters, and the architecture of the model.

This study focuses on the generation of Persian named entity datasets through the application of machine translation on English datasets. The generated datasets were evaluated by experimenting with one monolingual and one multilingual transformer model. Notably, the CoNLL 2003 dataset has achieved the highest F1 score of 85.11%. In contrast, the WNUT 2017 dataset yielded the lowest F1 score of 40.02%. The results of this study highlight the potential of machine translation in creating high-quality named entity recognition datasets for low-resource languages like Persian. The study compares the performance of these generated datasets with English named entity recognition systems and provides insights into the effectiveness of machine translation for this task. Additionally, this approach could be used to augment data in low-resource language or create noisy data to make named entity systems more robust and improve them.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Parameter inference, i.e. inferring the posterior distribution of the parameters of a statistical model given some data, is a central problem to many scientific disciplines. Generative models can be used as an alternative to Markov Chain Monte Carlo methods for conducting posterior inference, both in likelihood-based and simulation-based problems. However, assessing the accuracy of posteriors encoded in generative models is not straightforward. In this paper, we introduce `Tests of Accuracy with Random Points' (TARP) coverage testing as a method to estimate coverage probabilities of generative posterior estimators. Our method differs from previously-existing coverage-based methods, which require posterior evaluations. We prove that our approach is necessary and sufficient to show that a posterior estimator is accurate. We demonstrate the method on a variety of synthetic examples, and show that TARP can be used to test the results of posterior inference analyses in high-dimensional spaces. We also show that our method can detect inaccurate inferences in cases where existing methods fail.

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

Detection and recognition of a licence plate is important when automating weighbridge services. While many large databases are available for Latin and Chinese alphanumeric license plates, data for Indian License Plates is inadequate. In particular, databases of Indian commercial truck license plates are inadequate, despite the fact that commercial vehicle license plate recognition plays a profound role in terms of logistics management and weighbridge automation. Moreover, models to recognise license plates are not effectively able to generalise to such data due to its challenging nature, and due to the abundant frequency of handwritten license plates, leading to the usage of diverse font styles. Thus, a database and effective models to recognise and detect such license plates are crucial. This paper provides a database on commercial truck license plates, and using state-of-the-art models in real-time object Detection: You Only Look Once Version 7, and SceneText Recognition: Permuted Autoregressive Sequence Models, our method outperforms the other cited references where the maximum accuracy obtained was less than 90%, while we have achieved 95.82% accuracy in our algorithm implementation on the presented challenging license plate dataset. Index Terms- Automatic License Plate Recognition, character recognition, license plate detection, vision transformer.

Innovation is a major driver of economic and social development, and information about many kinds of innovation is embedded in semi-structured data from patents and patent applications. Although the impact and novelty of innovations expressed in patent data are difficult to measure through traditional means, ML offers a promising set of techniques for evaluating novelty, summarizing contributions, and embedding semantics. In this paper, we introduce the Harvard USPTO Patent Dataset (HUPD), a large-scale, well-structured, and multi-purpose corpus of English-language patent applications filed to the United States Patent and Trademark Office (USPTO) between 2004 and 2018. With more than 4.5 million patent documents, HUPD is two to three times larger than comparable corpora. Unlike previously proposed patent datasets in NLP, HUPD contains the inventor-submitted versions of patent applications--not the final versions of granted patents--thereby allowing us to study patentability at the time of filing using NLP methods for the first time. It is also novel in its inclusion of rich structured metadata alongside the text of patent filings: By providing each application's metadata along with all of its text fields, the dataset enables researchers to perform new sets of NLP tasks that leverage variation in structured covariates. As a case study on the types of research HUPD makes possible, we introduce a new task to the NLP community--namely, binary classification of patent decisions. We additionally show the structured metadata provided in the dataset enables us to conduct explicit studies of concept shifts for this task. Finally, we demonstrate how HUPD can be used for three additional tasks: multi-class classification of patent subject areas, language modeling, and summarization.

In this research. we analyze the potential of Feature Density (HD) as a way to comparatively estimate machine learning (ML) classifier performance prior to training. The goal of the study is to aid in solving the problem of resource-intensive training of ML models which is becoming a serious issue due to continuously increasing dataset sizes and the ever rising popularity of Deep Neural Networks (DNN). The issue of constantly increasing demands for more powerful computational resources is also affecting the environment, as training large-scale ML models are causing alarmingly-growing amounts of CO2, emissions. Our approach 1s to optimize the resource-intensive training of ML models for Natural Language Processing to reduce the number of required experiments iterations. We expand on previous attempts on improving classifier training efficiency with FD while also providing an insight to the effectiveness of various linguistically-backed feature preprocessing methods for dialog classification, specifically cyberbullying detection.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

Recent advances in differentially private deep learning have demonstrated that application of differential privacy, specifically the DP-SGD algorithm, has a disparate impact on different sub-groups in the population, which leads to a significantly high drop-in model utility for sub-populations that are under-represented (minorities), compared to well-represented ones. In this work, we aim to compare PATE, another mechanism for training deep learning models using differential privacy, with DP-SGD in terms of fairness. We show that PATE does have a disparate impact too, however, it is much less severe than DP-SGD. We draw insights from this observation on what might be promising directions in achieving better fairness-privacy trade-offs.

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.

In this paper we address the challenge of extracting scientific references from patents. We approach the problem as a sequence labelling task and investigate the merits of BERT models to the extraction of these long sequences. References in patents to scientific literature are relevant to study the connection between science and industry. Most prior work only uses the front-page citations for this analysis, which are provided in the metadata of patent archives. In this paper we build on prior work using Conditional Random Fields (CRF) and Flair for reference extraction. We improve the quality of the training data and train three BERT-based models on the labelled data (BERT, bioBERT, sciBERT). We find that the improved training data leads to a large improvement in the quality of the trained models. In addition, the BERT models beat CRF and Flair, with recall scores around 97% obtained with cross validation. With the best model we label a large collection of 33 thousand patents, extract the citations, and match them to publications in the Web of Science database. We extract 50% more references than with the old training data and methods: 735 thousand references in total. With these patent-publication links, follow-up research will further analyze which types of scientific work lead to inventions.

Modeling the hand-object (HO) interaction not only requires estimation of the HO pose, but also pays attention to the contact due to their interaction. Significant progress has been made in estimating hand and object separately with deep learning methods, simultaneous HO pose estimation and contact modeling has not yet been fully explored. In this paper, we present an explicit contact representation namely Contact Potential Field (CPF), and a learning-fitting hybrid framework namely MIHO to Modeling the Interaction of Hand and Object. In CPF, we treat each contacting HO vertex pair as a spring-mass system. Hence the whole system forms a potential field with minimal elastic energy at the grasp position. Extensive experiments on the two commonly used benchmarks have demonstrated that our method can achieve state-of-the-art in several reconstruction metrics, and allow us to produce more physically plausible HO pose even when the ground-truth exhibits severe interpenetration or disjointedness. Our code is available at https://github.com/lixiny/CPF.

Monitoring population-level changes in diet could be useful for education and for implementing interventions to improve health. Research has shown that data from social media sources can be used for monitoring dietary behavior. We propose a scrape-by-location methodology to create food image datasets from Instagram posts. We used it to collect 3.56 million images over a period of 20 days in March 2019. We also propose a scrape-by-keywords methodology and used it to scrape ~30,000 images and their captions of 38 Kenyan food types. We publish two datasets of 104,000 and 8,174 image/caption pairs, respectively. With the first dataset, Kenya104K, we train a Kenyan Food Classifier, called KenyanFC, to distinguish Kenyan food from non-food images posted in Kenya. We used the second dataset, KenyanFood13, to train a classifier KenyanFTR, short for Kenyan Food Type Recognizer, to recognize 13 popular food types in Kenya. The KenyanFTR is a multimodal deep neural network that can identify 13 types of Kenyan foods using both images and their corresponding captions. Experiments show that the average top-1 accuracy of KenyanFC is 99% over 10,400 tested Instagram images and of KenyanFTR is 81% over 8,174 tested data points. Ablation studies show that three of the 13 food types are particularly difficult to categorize based on image content only and that adding analysis of captions to the image analysis yields a classifier that is 9 percent points more accurate than a classifier that relies only on images. Our food trend analysis revealed that cakes and roasted meats were the most popular foods in photographs on Instagram in Kenya in March 2019.

In the reduced basis method, the evaluation of the a posteriori estimator can become very sensitive to round-off errors. In this note, the origin of the loss of accuracy is revealed, and a solution to this problem is proposed and illustrated on a simple example.

Large language models, despite extensive alignment with human values and ethical principles, remain vulnerable to sophisticated jailbreak attacks that exploit their reasoning abilities. Existing safety measures often detect overt malicious intent but fail to address subtle, reasoning-driven vulnerabilities. In this work, we introduce POATE (Polar Opposite query generation, Adversarial Template construction, and Elaboration), a novel jailbreak technique that harnesses contrastive reasoning to provoke unethical responses. POATE crafts semantically opposing intents and integrates them with adversarial templates, steering models toward harmful outputs with remarkable subtlety. We conduct extensive evaluation across six diverse language model families of varying parameter sizes to demonstrate the robustness of the attack, achieving significantly higher attack success rates (~44%) compared to existing methods. To counter this, we propose Intent-Aware CoT and Reverse Thinking CoT, which decompose queries to detect malicious intent and reason in reverse to evaluate and reject harmful responses. These methods enhance reasoning robustness and strengthen the model's defense against adversarial exploits.