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Oct 16

D-CPT Law: Domain-specific Continual Pre-Training Scaling Law for Large Language Models

Continual Pre-Training (CPT) on Large Language Models (LLMs) has been widely used to expand the model's fundamental understanding of specific downstream domains (e.g., math and code). For the CPT on domain-specific LLMs, one important question is how to choose the optimal mixture ratio between the general-corpus (e.g., Dolma, Slim-pajama) and the downstream domain-corpus. Existing methods usually adopt laborious human efforts by grid-searching on a set of mixture ratios, which require high GPU training consumption costs. Besides, we cannot guarantee the selected ratio is optimal for the specific domain. To address the limitations of existing methods, inspired by the Scaling Law for performance prediction, we propose to investigate the Scaling Law of the Domain-specific Continual Pre-Training (D-CPT Law) to decide the optimal mixture ratio with acceptable training costs for LLMs of different sizes. Specifically, by fitting the D-CPT Law, we can easily predict the general and downstream performance of arbitrary mixture ratios, model sizes, and dataset sizes using small-scale training costs on limited experiments. Moreover, we also extend our standard D-CPT Law on cross-domain settings and propose the Cross-Domain D-CPT Law to predict the D-CPT law of target domains, where very small training costs (about 1% of the normal training costs) are needed for the target domains. Comprehensive experimental results on six downstream domains demonstrate the effectiveness and generalizability of our proposed D-CPT Law and Cross-Domain D-CPT Law.

  • 16 authors
·
Jun 3, 2024

D-NLP at SemEval-2024 Task 2: Evaluating Clinical Inference Capabilities of Large Language Models

Large language models (LLMs) have garnered significant attention and widespread usage due to their impressive performance in various tasks. However, they are not without their own set of challenges, including issues such as hallucinations, factual inconsistencies, and limitations in numerical-quantitative reasoning. Evaluating LLMs in miscellaneous reasoning tasks remains an active area of research. Prior to the breakthrough of LLMs, Transformers had already proven successful in the medical domain, effectively employed for various natural language understanding (NLU) tasks. Following this trend, LLMs have also been trained and utilized in the medical domain, raising concerns regarding factual accuracy, adherence to safety protocols, and inherent limitations. In this paper, we focus on evaluating the natural language inference capabilities of popular open-source and closed-source LLMs using clinical trial reports as the dataset. We present the performance results of each LLM and further analyze their performance on a development set, particularly focusing on challenging instances that involve medical abbreviations and require numerical-quantitative reasoning. Gemini, our leading LLM, achieved a test set F1-score of 0.748, securing the ninth position on the task scoreboard. Our work is the first of its kind, offering a thorough examination of the inference capabilities of LLMs within the medical domain.

  • 1 authors
·
May 7, 2024

Explainable Parkinsons Disease Gait Recognition Using Multimodal RGB-D Fusion and Large Language Models

Accurate and interpretable gait analysis plays a crucial role in the early detection of Parkinsons disease (PD),yet most existing approaches remain limited by single-modality inputs, low robustness, and a lack of clinical transparency. This paper presents an explainable multimodal framework that integrates RGB and Depth (RGB-D) data to recognize Parkinsonian gait patterns under realistic conditions. The proposed system employs dual YOLOv11-based encoders for modality-specific feature extraction, followed by a Multi-Scale Local-Global Extraction (MLGE) module and a Cross-Spatial Neck Fusion mechanism to enhance spatial-temporal representation. This design captures both fine-grained limb motion (e.g., reduced arm swing) and overall gait dynamics (e.g., short stride or turning difficulty), even in challenging scenarios such as low lighting or occlusion caused by clothing. To ensure interpretability, a frozen Large Language Model (LLM) is incorporated to translate fused visual embeddings and structured metadata into clinically meaningful textual explanations. Experimental evaluations on multimodal gait datasets demonstrate that the proposed RGB-D fusion framework achieves higher recognition accuracy, improved robustness to environmental variations, and clear visual-linguistic reasoning compared with single-input baselines. By combining multimodal feature learning with language-based interpretability, this study bridges the gap between visual recognition and clinical understanding, offering a novel vision-language paradigm for reliable and explainable Parkinsons disease gait analysis. Code:https://github.com/manaralnaasan/RGB-D_parkinson-LLM

  • 3 authors
·
Dec 3, 2025

CodeT5+: Open Code Large Language Models for Code Understanding and Generation

Large language models (LLMs) pretrained on vast source code have achieved prominent progress in code intelligence. However, existing code LLMs have two main limitations in terms of architecture and pretraining tasks. First, they often adopt a specific architecture (encoder-only or decoder-only) or rely on a unified encoder-decoder network for different downstream tasks. The former paradigm is limited by inflexibility in applications while in the latter, the model is treated as a single system for all tasks, leading to suboptimal performance on a subset of tasks. Secondly, they often employ a limited set of pretraining objectives which might not be relevant to some downstream tasks and hence result in substantial performance degrade. To address these limitations, we propose ``CodeT5+'', a family of encoder-decoder LLMs for code in which component modules can be flexibly combined to suit a wide range of downstream code tasks. Such flexibility is enabled by our proposed mixture of pretraining objectives to mitigate the pretrain-finetune discrepancy. These objectives cover span denoising, contrastive learning, text-code matching, and causal LM pretraining tasks, on both unimodal and bimodal multilingual code corpora. Furthermore, we propose to initialize CodeT5+ with frozen off-the-shelf LLMs without training from scratch to efficiently scale up our models, and explore instruction-tuning to align with natural language instructions. We extensively evaluate CodeT5+ on over 20 code-related benchmarks in different settings, including zero-shot, finetuning, and instruction-tuning. We observe state-of-the-art (SoTA) model performance on various code-related tasks, such as code generation and completion, math programming, and text-to-code retrieval tasks. Particularly, our instruction-tuned CodeT5+ 16B achieves new SoTA results on HumanEval code generation task against other open code LLMs.

  • 6 authors
·
May 13, 2023 2

Controlling Large Language Model Agents with Entropic Activation Steering

The generality of pretrained large language models (LLMs) has prompted increasing interest in their use as in-context learning agents. To be successful, such agents must form beliefs about how to achieve their goals based on limited interaction with their environment, resulting in uncertainty about the best action to take at each step. In this paper, we study how LLM agents form and act on these beliefs by conducting experiments in controlled sequential decision-making tasks. To begin, we find that LLM agents are overconfident: They draw strong conclusions about what to do based on insufficient evidence, resulting in inadequately explorative behavior. We dig deeper into this phenomenon and show how it emerges from a collapse in the entropy of the action distribution implied by sampling from the LLM. We then demonstrate that existing token-level sampling techniques are by themselves insufficient to make the agent explore more. Motivated by this fact, we introduce Entropic Activation Steering (EAST), an activation steering method for in-context LLM agents. EAST computes a steering vector as an entropy-weighted combination of representations, and uses it to manipulate an LLM agent's uncertainty over actions by intervening on its activations during the forward pass. We show that EAST can reliably increase the entropy in an LLM agent's actions, causing more explorative behavior to emerge. Finally, EAST modifies the subjective uncertainty an LLM agent expresses, paving the way to interpreting and controlling how LLM agents represent uncertainty about their decisions.

  • 3 authors
·
May 31, 2024

PANNs: Large-Scale Pretrained Audio Neural Networks for Audio Pattern Recognition

Audio pattern recognition is an important research topic in the machine learning area, and includes several tasks such as audio tagging, acoustic scene classification, music classification, speech emotion classification and sound event detection. Recently, neural networks have been applied to tackle audio pattern recognition problems. However, previous systems are built on specific datasets with limited durations. Recently, in computer vision and natural language processing, systems pretrained on large-scale datasets have generalized well to several tasks. However, there is limited research on pretraining systems on large-scale datasets for audio pattern recognition. In this paper, we propose pretrained audio neural networks (PANNs) trained on the large-scale AudioSet dataset. These PANNs are transferred to other audio related tasks. We investigate the performance and computational complexity of PANNs modeled by a variety of convolutional neural networks. We propose an architecture called Wavegram-Logmel-CNN using both log-mel spectrogram and waveform as input feature. Our best PANN system achieves a state-of-the-art mean average precision (mAP) of 0.439 on AudioSet tagging, outperforming the best previous system of 0.392. We transfer PANNs to six audio pattern recognition tasks, and demonstrate state-of-the-art performance in several of those tasks. We have released the source code and pretrained models of PANNs: https://github.com/qiuqiangkong/audioset_tagging_cnn.

  • 6 authors
·
Dec 21, 2019

LeafNet: A Large-Scale Dataset and Comprehensive Benchmark for Foundational Vision-Language Understanding of Plant Diseases

Foundation models and vision-language pre-training have significantly advanced Vision-Language Models (VLMs), enabling multimodal processing of visual and linguistic data. However, their application in domain-specific agricultural tasks, such as plant pathology, remains limited due to the lack of large-scale, comprehensive multimodal image--text datasets and benchmarks. To address this gap, we introduce LeafNet, a comprehensive multimodal dataset, and LeafBench, a visual question-answering benchmark developed to systematically evaluate the capabilities of VLMs in understanding plant diseases. The dataset comprises 186,000 leaf digital images spanning 97 disease classes, paired with metadata, generating 13,950 question-answer pairs spanning six critical agricultural tasks. The questions assess various aspects of plant pathology understanding, including visual symptom recognition, taxonomic relationships, and diagnostic reasoning. Benchmarking 12 state-of-the-art VLMs on our LeafBench dataset, we reveal substantial disparity in their disease understanding capabilities. Our study shows performance varies markedly across tasks: binary healthy--diseased classification exceeds 90% accuracy, while fine-grained pathogen and species identification remains below 65%. Direct comparison between vision-only models and VLMs demonstrates the critical advantage of multimodal architectures: fine-tuned VLMs outperform traditional vision models, confirming that integrating linguistic representations significantly enhances diagnostic precision. These findings highlight critical gaps in current VLMs for plant pathology applications and underscore the need for LeafBench as a rigorous framework for methodological advancement and progress evaluation toward reliable AI-assisted plant disease diagnosis. Code is available at https://github.com/EnalisUs/LeafBench.

  • 3 authors
·
Feb 14

Fundamental physics with ESPRESSO: Precise limit on variations in the fine-structure constant towards the bright quasar HE 0515$-$4414

The strong intervening absorption system at redshift 1.15 towards the very bright quasar HE 0515-4414 is the most studied absorber for measuring possible cosmological variations in the fine-structure constant, α. We observed HE 0515-4414 for 16.1,h with the Very Large Telescope and present here the first constraint on relative variations in α with parts-per-million (ppm) precision from the new ESPRESSO spectrograph: Δα/α= 1.3 pm 1.3_{rm stat} pm 0.4_{rm sys},{rm ppm}. The statistical uncertainty (1σ) is similar to the ensemble precision of previous large samples of absorbers, and derives from the high S/N achieved (approx105 per 0.4,km,s^{-1} pixel). ESPRESSO's design, and calibration of our observations with its laser frequency comb, effectively removed wavelength calibration errors from our measurement. The high resolving power of our ESPRESSO spectrum (R=145000) enabled the identification of very narrow components within the absorption profile, allowing a more robust analysis of Δα/α. The evidence for the narrow components is corroborated by their correspondence with previously detected molecular hydrogen and neutral carbon. The main remaining systematic errors arise from ambiguities in the absorption profile modelling, effects from redispersing the individual quasar exposures, and convergence of the parameter estimation algorithm. All analyses of the spectrum, including systematic error estimates, were initially blinded to avoid human biases. We make our reduced ESPRESSO spectrum of HE 0515-4414 publicly available for further analysis. Combining our ESPRESSO result with 28 measurements, from other spectrographs, in which wavelength calibration errors have been mitigated, yields a weighted mean Δα/α= -0.5 pm 0.5_{rm stat} pm 0.4_{rm sys},ppm at redshifts 0.6-2.4.

  • 43 authors
·
Dec 9, 2021

ChemCrow: Augmenting large-language models with chemistry tools

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.

  • 4 authors
·
Apr 11, 2023

Plant Disease Detection through Multimodal Large Language Models and Convolutional Neural Networks

Automation in agriculture plays a vital role in addressing challenges related to crop monitoring and disease management, particularly through early detection systems. This study investigates the effectiveness of combining multimodal Large Language Models (LLMs), specifically GPT-4o, with Convolutional Neural Networks (CNNs) for automated plant disease classification using leaf imagery. Leveraging the PlantVillage dataset, we systematically evaluate model performance across zero-shot, few-shot, and progressive fine-tuning scenarios. A comparative analysis between GPT-4o and the widely used ResNet-50 model was conducted across three resolutions (100, 150, and 256 pixels) and two plant species (apple and corn). Results indicate that fine-tuned GPT-4o models achieved slightly better performance compared to the performance of ResNet-50, achieving up to 98.12% classification accuracy on apple leaf images, compared to 96.88% achieved by ResNet-50, with improved generalization and near-zero training loss. However, zero-shot performance of GPT-4o was significantly lower, underscoring the need for minimal training. Additional evaluations on cross-resolution and cross-plant generalization revealed the models' adaptability and limitations when applied to new domains. The findings highlight the promise of integrating multimodal LLMs into automated disease detection pipelines, enhancing the scalability and intelligence of precision agriculture systems while reducing the dependence on large, labeled datasets and high-resolution sensor infrastructure. Large Language Models, Vision Language Models, LLMs and CNNs, Disease Detection with Vision Language Models, VLMs

  • 5 authors
·
Apr 29, 2025 1

A Large Convolutional Neural Network for Clinical Target and Multi-organ Segmentation in Gynecologic Brachytherapy with Multi-stage Learning

Purpose: Accurate segmentation of clinical target volumes (CTV) and organs-at-risk is crucial for optimizing gynecologic brachytherapy (GYN-BT) treatment planning. However, anatomical variability, low soft-tissue contrast in CT imaging, and limited annotated datasets pose significant challenges. This study presents GynBTNet, a novel multi-stage learning framework designed to enhance segmentation performance through self-supervised pretraining and hierarchical fine-tuning strategies. Methods: GynBTNet employs a three-stage training strategy: (1) self-supervised pretraining on large-scale CT datasets using sparse submanifold convolution to capture robust anatomical representations, (2) supervised fine-tuning on a comprehensive multi-organ segmentation dataset to refine feature extraction, and (3) task-specific fine-tuning on a dedicated GYN-BT dataset to optimize segmentation performance for clinical applications. The model was evaluated against state-of-the-art methods using the Dice Similarity Coefficient (DSC), 95th percentile Hausdorff Distance (HD95), and Average Surface Distance (ASD). Results: Our GynBTNet achieved superior segmentation performance, significantly outperforming nnU-Net and Swin-UNETR. Notably, it yielded a DSC of 0.837 +/- 0.068 for CTV, 0.940 +/- 0.052 for the bladder, 0.842 +/- 0.070 for the rectum, and 0.871 +/- 0.047 for the uterus, with reduced HD95 and ASD compared to baseline models. Self-supervised pretraining led to consistent performance improvements, particularly for structures with complex boundaries. However, segmentation of the sigmoid colon remained challenging, likely due to anatomical ambiguities and inter-patient variability. Statistical significance analysis confirmed that GynBTNet's improvements were significant compared to baseline models.

  • 13 authors
·
Jun 1, 2025

A LoD of Gaussians: Unified Training and Rendering for Ultra-Large Scale Reconstruction with External Memory

Gaussian Splatting has emerged as a high-performance technique for novel view synthesis, enabling real-time rendering and high-quality reconstruction of small scenes. However, scaling to larger environments has so far relied on partitioning the scene into chunks -- a strategy that introduces artifacts at chunk boundaries, complicates training across varying scales, and is poorly suited to unstructured scenarios such as city-scale flyovers combined with street-level views. Moreover, rendering remains fundamentally limited by GPU memory, as all visible chunks must reside in VRAM simultaneously. We introduce A LoD of Gaussians, a framework for training and rendering ultra-large-scale Gaussian scenes on a single consumer-grade GPU -- without partitioning. Our method stores the full scene out-of-core (e.g., in CPU memory) and trains a Level-of-Detail (LoD) representation directly, dynamically streaming only the relevant Gaussians. A hybrid data structure combining Gaussian hierarchies with Sequential Point Trees enables efficient, view-dependent LoD selection, while a lightweight caching and view scheduling system exploits temporal coherence to support real-time streaming and rendering. Together, these innovations enable seamless multi-scale reconstruction and interactive visualization of complex scenes -- from broad aerial views to fine-grained ground-level details.

  • 7 authors
·
Feb 16

LMOD+: A Comprehensive Multimodal Dataset and Benchmark for Developing and Evaluating Multimodal Large Language Models in Ophthalmology

Vision-threatening eye diseases pose a major global health burden, with timely diagnosis limited by workforce shortages and restricted access to specialized care. While multimodal large language models (MLLMs) show promise for medical image interpretation, advancing MLLMs for ophthalmology is hindered by the lack of comprehensive benchmark datasets suitable for evaluating generative models. We present a large-scale multimodal ophthalmology benchmark comprising 32,633 instances with multi-granular annotations across 12 common ophthalmic conditions and 5 imaging modalities. The dataset integrates imaging, anatomical structures, demographics, and free-text annotations, supporting anatomical structure recognition, disease screening, disease staging, and demographic prediction for bias evaluation. This work extends our preliminary LMOD benchmark with three major enhancements: (1) nearly 50% dataset expansion with substantial enlargement of color fundus photography; (2) broadened task coverage including binary disease diagnosis, multi-class diagnosis, severity classification with international grading standards, and demographic prediction; and (3) systematic evaluation of 24 state-of-the-art MLLMs. Our evaluations reveal both promise and limitations. Top-performing models achieved ~58% accuracy in disease screening under zero-shot settings, and performance remained suboptimal for challenging tasks like disease staging. We will publicly release the dataset, curation pipeline, and leaderboard to potentially advance ophthalmic AI applications and reduce the global burden of vision-threatening diseases.

  • 16 authors
·
Mar 17

Keyword-driven Retrieval-Augmented Large Language Models for Cold-start User Recommendations

Recent advancements in Large Language Models (LLMs) have shown significant potential in enhancing recommender systems. However, addressing the cold-start recommendation problem, where users lack historical data, remains a considerable challenge. In this paper, we introduce KALM4Rec (Keyword-driven Retrieval-Augmented Large Language Models for Cold-start User Recommendations), a novel framework specifically designed to tackle this problem by requiring only a few input keywords from users in a practical scenario of cold-start user restaurant recommendations. KALM4Rec operates in two main stages: candidates retrieval and LLM-based candidates re-ranking. In the first stage, keyword-driven retrieval models are used to identify potential candidates, addressing LLMs' limitations in processing extensive tokens and reducing the risk of generating misleading information. In the second stage, we employ LLMs with various prompting strategies, including zero-shot and few-shot techniques, to re-rank these candidates by integrating multiple examples directly into the LLM prompts. Our evaluation, using a Yelp restaurant dataset with user reviews from three English-speaking cities, shows that our proposed framework significantly improves recommendation quality. Specifically, the integration of in-context instructions with LLMs for re-ranking markedly enhances the performance of the cold-start user recommender system.

  • 4 authors
·
May 29, 2024

Open-H-Embodiment: A Large-Scale Dataset for Enabling Foundation Models in Medical Robotics

Autonomous medical robots hold promise to improve patient outcomes, reduce provider workload, democratize access to care, and enable superhuman precision. However, autonomous medical robotics has been limited by a fundamental data problem: existing medical robotic datasets are small, single-embodiment, and rarely shared openly, restricting the development of foundation models that the field needs to advance. We introduce Open-H-Embodiment, the largest open dataset of medical robotic video with synchronized kinematics to date, spanning more than 49 institutions and multiple robotic platforms including the CMR Versius, Intuitive Surgical's da Vinci, da Vinci Research Kit (dVRK), Rob Surgical BiTrack, Virtual Incision's MIRA, Moon Surgical Maestro, and a variety of custom systems, spanning surgical manipulation, robotic ultrasound, and endoscopy procedures. We demonstrate the research enabled by this dataset through two foundation models. GR00T-H is the first open foundation vision-language-action model for medical robotics, which is the only evaluated model to achieve full end-to-end task completion on a structured suturing benchmark (25% of trials vs. 0% for all others) and achieves 64% average success across a 29-step ex vivo suturing sequence. We also train Cosmos-H-Surgical-Simulator, the first action-conditioned world model to enable multi-embodiment surgical simulation from a single checkpoint, spanning nine robotic platforms and supporting in silico policy evaluation and synthetic data generation for the medical domain. These results suggest that open, large-scale medical robot data collection can serve as critical infrastructure for the research community, enabling advances in robot learning, world modeling, and beyond.

  • 215 authors
·
Apr 28

OpenH-RF: A Large-Scale Ultrasound Raw Channel Dataset Initiative

Medical ultrasound is a widely accessible, real-time imaging modality, yet progress in data-driven ultrasound research is constrained by the scarcity of large, open collections of raw channel data. Existing public datasets are predominantly based on reconstructed images, while the smaller number of open raw channel datasets is generally specialized to individual reconstruction or imaging tasks, limiting the development of general-purpose methods and foundation models that operate directly on ultrasound signals. While interpretive tasks can be performed on reconstructed images, many of the key technical challenges in ultrasound imaging, such as aberration correction and reverberation reduction, require the raw channel data itself. We introduce OpenH-RF, a community-driven open dataset initiative comprising approximately 40 TB of medical ultrasound raw channel data in 19,332 acquisitions, contributed by 38 institutions across academia and industry, spanning in-vivo, phantom, and simulated data. Each dataset is annotated with a number of supported tasks, ranging from generalized reconstruction, speed-of-sound estimation, and aberration correction to blood flow imaging, motion estimation, quantitative ultrasound, and image interpretation. OpenH-RF provides a unified, self-contained data format that captures raw channel data together with the acquisition, probe, metadata, and reconstruction information required for reproducible processing across scanners and acquisition schemes. The corpus is publicly hosted under a permissive CC BY 4.0 license and can be streamed programmatically and selectively at scale. By bringing heterogeneous ultrasound data into a common representation, backed by modern data infrastructure, OpenH-RF lowers the barrier to working with raw channel data and aims to open medical ultrasound research to new communities. See https://open-h.github.io/OpenH-RF.

  • 186 authors
·
Oct 8

DeepSeek-V4.1-Flash: Pushing the Limits of KV Cache Compression

The widespread adoption of long-horizon agents has made model workloads increasingly input-heavy. Although prior work has substantially reduced the cost of long-context computation, prefill remains computationally expensive, and large KV caches continue to strain HBM and SSD capacity and data-transfer bandwidth. Together, these compute, storage, and bandwidth demands constitute the primary bottleneck to further lowering deployment costs. To address this challenge, we introduce DeepSeek-V4.1-Flash, a multimodal Mixture-of-Experts (MoE) model with 552B backbone parameters and support for contexts of up to one million tokens. With its Causal Encoder-Decoder (CED) architecture, the model activates 16B parameters per token during decode but only 8B parameters during prefill, substantially improving cost efficiency for agentic workloads. To push the limits of KV cache compression, DeepSeek-V4.1-Flash combines cross-layer KV cache reuse in Compressed Sparse Attention 2 (CSA2) with FP4 KV caching. These designs reduce its global KV cache footprint (always in HBM) to 890 bytes per token, roughly 1/4 of the corresponding footprint of DeepSeek-V4-Flash. Further, through a dedicated deployment optimization known as SWA Bounded Replay, DeepSeek-V4.1-Flash reduces its persistent KV cache footprint (always on SSD or in host memory) to roughly 1/8 of that of DeepSeek-V4-Flash. Despite its much smaller KV cache footprint, the model delivers substantially better performance than the baseline. In addition, we streamline the DeepSeek-V4 architecture and introduce several efficient architectural extensions. We pretrain DeepSeek-V4.1-Flash on a multimodal corpus comprising 45T tokens and conduct comprehensive post-training, yielding strong performance across diverse text-based and multimodal agentic scenarios. Model checkpoints are available at https://huggingface.co/deepseek-ai/DeepSeek-V4.1-Flash.

deepseek-ai DeepSeek
·
Sep 16 6

Synchrony and Oscillatory Dynamics for a 2-D PDE-ODE Model of Diffusion-Sensing with Small Signaling Compartments

We analyze a class of cell-bulk coupled PDE-ODE models, motivated by quorum and diffusion sensing phenomena in microbial systems, that characterize communication between localized spatially segregated dynamically active signaling compartments that have a permeable boundary. Each cell secretes a signaling chemical into the bulk region at a constant rate and receives a feedback of the bulk chemical from the entire collection of cells. This global feedback, which activates signaling pathways within the cells, modifies the intracellular dynamics according to the external environment. The cell secretion and global feedback are regulated by permeability parameters across the cell membrane. For arbitrary reaction-kinetics within each cell, the method of matched asymptotic expansions is used in the limit of small cell radius to construct steady-state solutions of the PDE-ODE model, and to derive a globally coupled nonlinear matrix eigenvalue problem (GCEP) that characterizes the linear stability properties of the steady-states. In the limit of large bulk diffusivity an asymptotic analysis of the PDE-ODE model leads to a limiting ODE system for the spatial average of the concentration in the bulk region that is coupled to the intracellular dynamics within the cells. Results from the linear stability theory and ODE dynamics are illustrated for Sel'kov reaction-kinetics, where the kinetic parameters are chosen so that each cell is quiescent when uncoupled from the bulk medium. For various specific spatial configurations of cells, the linear stability theory is used to construct phase diagrams in parameter space characterizing where a switch-like emergence of intracellular oscillations can occur through a Hopf bifurcation.

  • 2 authors
·
Jul 16, 2020

R&D-Agent-Quant: A Multi-Agent Framework for Data-Centric Factors and Model Joint Optimization

Financial markets pose fundamental challenges for asset return prediction due to their high dimensionality, non-stationarity, and persistent volatility. Despite advances in large language models and multi-agent systems, current quantitative research pipelines suffer from limited automation, weak interpretability, and fragmented coordination across key components such as factor mining and model innovation. In this paper, we propose R&D-Agent for Quantitative Finance, in short RD-Agent(Q), the first data-centric multi-agent framework designed to automate the full-stack research and development of quantitative strategies via coordinated factor-model co-optimization. RD-Agent(Q) decomposes the quant process into two iterative stages: a Research stage that dynamically sets goal-aligned prompts, formulates hypotheses based on domain priors, and maps them to concrete tasks, and a Development stage that employs a code-generation agent, Co-STEER, to implement task-specific code, which is then executed in real-market backtests. The two stages are connected through a feedback stage that thoroughly evaluates experimental outcomes and informs subsequent iterations, with a multi-armed bandit scheduler for adaptive direction selection. Empirically, RD-Agent(Q) achieves up to 2X higher annualized returns than classical factor libraries using 70% fewer factors, and outperforms state-of-the-art deep time-series models on real markets. Its joint factor-model optimization delivers a strong balance between predictive accuracy and strategy robustness. Our code is available at: https://github.com/microsoft/RD-Agent.

  • 7 authors
·
May 21, 2025

Kernel Density Estimators in Large Dimensions

This paper studies Kernel density estimation for a high-dimensional distribution rho(x). Traditional approaches have focused on the limit of large number of data points n and fixed dimension d. We analyze instead the regime where both the number n of data points y_i and their dimensionality d grow with a fixed ratio alpha=(log n)/d. Our study reveals three distinct statistical regimes for the kernel-based estimate of the density hat rho_h^{D}(x)=1{n h^d}sum_{i=1}^n Kleft(x-y_i{h}right), depending on the bandwidth h: a classical regime for large bandwidth where the Central Limit Theorem (CLT) holds, which is akin to the one found in traditional approaches. Below a certain value of the bandwidth, h_{CLT}(alpha), we find that the CLT breaks down. The statistics of hat rho_h^{D}(x) for a fixed x drawn from rho(x) is given by a heavy-tailed distribution (an alpha-stable distribution). In particular below a value h_G(alpha), we find that hat rho_h^{D}(x) is governed by extreme value statistics: only a few points in the database matter and give the dominant contribution to the density estimator. We provide a detailed analysis for high-dimensional multivariate Gaussian data. We show that the optimal bandwidth threshold based on Kullback-Leibler divergence lies in the new statistical regime identified in this paper. Our findings reveal limitations of classical approaches, show the relevance of these new statistical regimes, and offer new insights for Kernel density estimation in high-dimensional settings.

  • 2 authors
·
Aug 11, 2024

SHIELD: A Diverse Clinical Note Dataset and Distilled Small Language Models for Enterprise-Scale De-identification

De-identification of clinical text is a prerequisite for the secondary use of electronic health records. Existing public benchmarks such as the i2b2 2006 and 2014 corpora are over a decade old and lack the semantic and demographic diversity of modern clinical narratives. Large Language Models (LLMs) reach state-of-the-art zero-shot extraction, but their use at enterprise scale is limited by computational cost and by hospital data governance that restricts sending Protected Health Information (PHI) to cloud APIs. We introduce SHIELD (Synthetic Human-annotated Identifier-replaced Entries for Learning and De-identification), a diverse clinical note dataset of 1,381 notes with 10,229 gold-standard PHI spans across 9 categories, built with set-cover diversity sampling across demographic and document-type strata and human-in-the-loop adjudication. We evaluate four LLMs (two proprietary, two open-weight) to establish a performance ceiling on SHIELD, then show that a teacher-student distillation framework transfers these capabilities into locally deployable Small Language Models. Our best distilled model reaches micro-averaged span-level precision of 0.89 and recall of 0.88 while running on standard workstation hardware. It trails its cloud teacher on per-category recall (0.90 vs. 0.81 macro-averaged) but remains competitive given its lower cost and on-premise deployability. Cross-dataset evaluation shows that diversity-trained models generalize well on universal structured PHI categories, while institution-specific entities remain hard to transfer in both directions, which suggests pairing broad-coverage models with specialized models for high-volume, semi-structured note types. We publicly release the SHIELD dataset and the distilled DeBERTa v3 model to provide an accurate, cost-effective de-identification pipeline deployable entirely behind institutional firewalls.

  • 4 authors
·
Jun 30

Medusa: Simple LLM Inference Acceleration Framework with Multiple Decoding Heads

The inference process in Large Language Models (LLMs) is often limited due to the absence of parallelism in the auto-regressive decoding process, resulting in most operations being restricted by the memory bandwidth of accelerators. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa introduces only minimal overhead in terms of single-step latency while substantially reducing the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.

  • 7 authors
·
Jan 19, 2024 3

GenUP: Generative User Profilers as In-Context Learners for Next POI Recommender Systems

Traditional POI recommendation systems often lack transparency, interpretability, and scrutability due to their reliance on dense vector-based user embeddings. Furthermore, the cold-start problem -- where systems have insufficient data for new users -- limits their ability to generate accurate recommendations. Existing methods often address this by leveraging similar trajectories from other users, but this approach can be computationally expensive and increases the context length for LLM-based methods, making them difficult to scale. To address these limitations, we propose a method that generates natural language (NL) user profiles from large-scale, location-based social network (LBSN) check-ins, utilizing robust personality assessments and behavioral theories. These NL profiles capture user preferences, routines, and behaviors, improving POI prediction accuracy while offering enhanced transparency. By incorporating NL profiles as system prompts to LLMs, our approach reduces reliance on extensive historical data, while remaining flexible, easily updated, and computationally efficient. Our method is not only competitive with other LLM-based and complex agentic frameworks but is also more scalable for real-world scenarios and on-device POI recommendations. Results demonstrate that our approach consistently outperforms baseline methods, offering a more interpretable and resource-efficient solution for POI recommendation systems. Our source code is available at: https://github.com/w11wo/GenUP.

  • 3 authors
·
Oct 27, 2024

Experimental Implementation of the Quantum Volunteer's Dilemma on NISQ Hardware: Noise Analysis and Digital-Twin Validation

We present an experimental implementation of the multiplayer Quantum Volunteer's Dilemma on noisy intermediate-scale quantum (NISQ) hardware, executed on the ibm_kingston backend via Qiskit Runtime. The game is evaluated for N = 2 to 9 players under four transpiler optimization levels, with 20 independent repetitions per configuration and 2048 shots per circuit, including post-processing readout error correction via mthree. Target-state fidelity decays with system size but remains above 70% (corrected) through N = 9. With readout correction, the global average payoff reproduces the quantum theoretical benchmark exactly for N <= 6 and exceeds the classical Nash equilibrium across the full tested range. Optimization level 2 is selected as the reference configuration after gate count analysis reveals that levels 2 and 3 produce identical transpiled circuits, with level 2 achieving superior fidelity stability. A Hamming distance analysis of raw measurement counts shows that single-qubit errors dominate at small N, with multi-qubit contributions growing beyond N = 6. A calibration-based digital twin captures global payoff trends but exhibits a linear fidelity decay profile that diverges from the hardware behavior at large N, exposing the limits of first-order independent per-qubit noise models. These results demonstrate that aggregate quantum advantage in multiplayer games is robust to NISQ noise conditions across the full tested range, while the practical observability of state-level advantage is constrained to N <= 8 under post-processed readout correction.

  • 7 authors
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May 28

Supervised learning with quantum enhanced feature spaces

Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern recognition, with support vector machines (SVMs) being the most well-known method for classification problems. However, there are limitations to the successful solution to such problems when the feature space becomes large, and the kernel functions become computationally expensive to estimate. A core element to computational speed-ups afforded by quantum algorithms is the exploitation of an exponentially large quantum state space through controllable entanglement and interference. Here, we propose and experimentally implement two novel methods on a superconducting processor. Both methods represent the feature space of a classification problem by a quantum state, taking advantage of the large dimensionality of quantum Hilbert space to obtain an enhanced solution. One method, the quantum variational classifier builds on [1,2] and operates through using a variational quantum circuit to classify a training set in direct analogy to conventional SVMs. In the second, a quantum kernel estimator, we estimate the kernel function and optimize the classifier directly. The two methods present a new class of tools for exploring the applications of noisy intermediate scale quantum computers [3] to machine learning.

  • 7 authors
·
Apr 30, 2018

Beyond the Imitation Game: Quantifying and extrapolating the capabilities of language models

Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 442 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

  • 445 authors
·
Jun 9, 2022 1

How Does Generative Retrieval Scale to Millions of Passages?

Popularized by the Differentiable Search Index, the emerging paradigm of generative retrieval re-frames the classic information retrieval problem into a sequence-to-sequence modeling task, forgoing external indices and encoding an entire document corpus within a single Transformer. Although many different approaches have been proposed to improve the effectiveness of generative retrieval, they have only been evaluated on document corpora on the order of 100k in size. We conduct the first empirical study of generative retrieval techniques across various corpus scales, ultimately scaling up to the entire MS MARCO passage ranking task with a corpus of 8.8M passages and evaluating model sizes up to 11B parameters. We uncover several findings about scaling generative retrieval to millions of passages; notably, the central importance of using synthetic queries as document representations during indexing, the ineffectiveness of existing proposed architecture modifications when accounting for compute cost, and the limits of naively scaling model parameters with respect to retrieval performance. While we find that generative retrieval is competitive with state-of-the-art dual encoders on small corpora, scaling to millions of passages remains an important and unsolved challenge. We believe these findings will be valuable for the community to clarify the current state of generative retrieval, highlight the unique challenges, and inspire new research directions.

  • 8 authors
·
May 19, 2023

Who Validates the Validators? Aligning LLM-Assisted Evaluation of LLM Outputs with Human Preferences

Due to the cumbersome nature of human evaluation and limitations of code-based evaluation, Large Language Models (LLMs) are increasingly being used to assist humans in evaluating LLM outputs. Yet LLM-generated evaluators simply inherit all the problems of the LLMs they evaluate, requiring further human validation. We present a mixed-initiative approach to ``validate the validators'' -- aligning LLM-generated evaluation functions (be it prompts or code) with human requirements. Our interface, EvalGen, provides automated assistance to users in generating evaluation criteria and implementing assertions. While generating candidate implementations (Python functions, LLM grader prompts), EvalGen asks humans to grade a subset of LLM outputs; this feedback is used to select implementations that better align with user grades. A qualitative study finds overall support for EvalGen but underscores the subjectivity and iterative process of alignment. In particular, we identify a phenomenon we dub criteria drift: users need criteria to grade outputs, but grading outputs helps users define criteria. What is more, some criteria appears dependent on the specific LLM outputs observed (rather than independent criteria that can be defined a priori), raising serious questions for approaches that assume the independence of evaluation from observation of model outputs. We present our interface and implementation details, a comparison of our algorithm with a baseline approach, and implications for the design of future LLM evaluation assistants.

  • 5 authors
·
Apr 18, 2024

Enter the Mind Palace: Reasoning and Planning for Long-term Active Embodied Question Answering

As robots become increasingly capable of operating over extended periods -- spanning days, weeks, and even months -- they are expected to accumulate knowledge of their environments and leverage this experience to assist humans more effectively. This paper studies the problem of Long-term Active Embodied Question Answering (LA-EQA), a new task in which a robot must both recall past experiences and actively explore its environment to answer complex, temporally-grounded questions. Unlike traditional EQA settings, which typically focus either on understanding the present environment alone or on recalling a single past observation, LA-EQA challenges an agent to reason over past, present, and possible future states, deciding when to explore, when to consult its memory, and when to stop gathering observations and provide a final answer. Standard EQA approaches based on large models struggle in this setting due to limited context windows, absence of persistent memory, and an inability to combine memory recall with active exploration. To address this, we propose a structured memory system for robots, inspired by the mind palace method from cognitive science. Our method encodes episodic experiences as scene-graph-based world instances, forming a reasoning and planning algorithm that enables targeted memory retrieval and guided navigation. To balance the exploration-recall trade-off, we introduce value-of-information-based stopping criteria that determines when the agent has gathered sufficient information. We evaluate our method on real-world experiments and introduce a new benchmark that spans popular simulation environments and actual industrial sites. Our approach significantly outperforms state-of-the-art baselines, yielding substantial gains in both answer accuracy and exploration efficiency.

  • 13 authors
·
Jul 17, 2025

EvoPruneDeepTL: An Evolutionary Pruning Model for Transfer Learning based Deep Neural Networks

In recent years, Deep Learning models have shown a great performance in complex optimization problems. They generally require large training datasets, which is a limitation in most practical cases. Transfer learning allows importing the first layers of a pre-trained architecture and connecting them to fully-connected layers to adapt them to a new problem. Consequently, the configuration of the these layers becomes crucial for the performance of the model. Unfortunately, the optimization of these models is usually a computationally demanding task. One strategy to optimize Deep Learning models is the pruning scheme. Pruning methods are focused on reducing the complexity of the network, assuming an expected performance penalty of the model once pruned. However, the pruning could potentially be used to improve the performance, using an optimization algorithm to identify and eventually remove unnecessary connections among neurons. This work proposes EvoPruneDeepTL, an evolutionary pruning model for Transfer Learning based Deep Neural Networks which replaces the last fully-connected layers with sparse layers optimized by a genetic algorithm. Depending on its solution encoding strategy, our proposed model can either perform optimized pruning or feature selection over the densely connected part of the neural network. We carry out different experiments with several datasets to assess the benefits of our proposal. Results show the contribution of EvoPruneDeepTL and feature selection to the overall computational efficiency of the network as a result of the optimization process. In particular, the accuracy is improved, reducing at the same time the number of active neurons in the final layers.

  • 5 authors
·
Feb 8, 2022

ZARA: Zero-shot Motion Time-Series Analysis via Knowledge and Retrieval Driven LLM Agents

Motion sensor time-series are central to human activity recognition (HAR), with applications in health, sports, and smart devices. However, existing methods are trained for fixed activity sets and require costly retraining when new behaviours or sensor setups appear. Recent attempts to use large language models (LLMs) for HAR, typically by converting signals into text or images, suffer from limited accuracy and lack verifiable interpretability. We propose ZARA, the first agent-based framework for zero-shot, explainable HAR directly from raw motion time-series. ZARA integrates an automatically derived pair-wise feature knowledge base that captures discriminative statistics for every activity pair, a multi-sensor retrieval module that surfaces relevant evidence, and a hierarchical agent pipeline that guides the LLM to iteratively select features, draw on this evidence, and produce both activity predictions and natural-language explanations. ZARA enables flexible and interpretable HAR without any fine-tuning or task-specific classifiers. Extensive experiments on 8 HAR benchmarks show that ZARA achieves SOTA zero-shot performance, delivering clear reasoning while exceeding the strongest baselines by 2.53x in macro F1. Ablation studies further confirm the necessity of each module, marking ZARA as a promising step toward trustworthy, plug-and-play motion time-series analysis. Our codes are available at https://github.com/zechenli03/ZARA.

  • 4 authors
·
Aug 5, 2025 2

VLANet: Video-Language Alignment Network for Weakly-Supervised Video Moment Retrieval

Video Moment Retrieval (VMR) is a task to localize the temporal moment in untrimmed video specified by natural language query. For VMR, several methods that require full supervision for training have been proposed. Unfortunately, acquiring a large number of training videos with labeled temporal boundaries for each query is a labor-intensive process. This paper explores methods for performing VMR in a weakly-supervised manner (wVMR): training is performed without temporal moment labels but only with the text query that describes a segment of the video. Existing methods on wVMR generate multi-scale proposals and apply query-guided attention mechanisms to highlight the most relevant proposal. To leverage the weak supervision, contrastive learning is used which predicts higher scores for the correct video-query pairs than for the incorrect pairs. It has been observed that a large number of candidate proposals, coarse query representation, and one-way attention mechanism lead to blurry attention maps which limit the localization performance. To handle this issue, Video-Language Alignment Network (VLANet) is proposed that learns sharper attention by pruning out spurious candidate proposals and applying a multi-directional attention mechanism with fine-grained query representation. The Surrogate Proposal Selection module selects a proposal based on the proximity to the query in the joint embedding space, and thus substantially reduces candidate proposals which leads to lower computation load and sharper attention. Next, the Cascaded Cross-modal Attention module considers dense feature interactions and multi-directional attention flow to learn the multi-modal alignment. VLANet is trained end-to-end using contrastive loss which enforces semantically similar videos and queries to gather. The experiments show that the method achieves state-of-the-art performance on Charades-STA and DiDeMo datasets.

  • 6 authors
·
Aug 24, 2020

PRISM: A Multi-Modal Generative Foundation Model for Slide-Level Histopathology

Foundation models in computational pathology promise to unlock the development of new clinical decision support systems and models for precision medicine. However, there is a mismatch between most clinical analysis, which is defined at the level of one or more whole slide images, and foundation models to date, which process the thousands of image tiles contained in a whole slide image separately. The requirement to train a network to aggregate information across a large number of tiles in multiple whole slide images limits these models' impact. In this work, we present a slide-level foundation model for H&E-stained histopathology, PRISM, that builds on Virchow tile embeddings and leverages clinical report text for pre-training. Using the tile embeddings, PRISM produces slide-level embeddings with the ability to generate clinical reports, resulting in several modes of use. Using text prompts, PRISM achieves zero-shot cancer detection and sub-typing performance approaching and surpassing that of a supervised aggregator model. Using the slide embeddings with linear classifiers, PRISM surpasses supervised aggregator models. Furthermore, we demonstrate that fine-tuning of the PRISM slide encoder yields label-efficient training for biomarker prediction, a task that typically suffers from low availability of training data; an aggregator initialized with PRISM and trained on as little as 10% of the training data can outperform a supervised baseline that uses all of the data.

  • 22 authors
·
May 16, 2024

CyberForge: Verified Vulnerability Injection at Repository Level for Cybersecurity Agent Training

Despite recent advances, frontier large language model (LLM) agents remain limited in discovering and patching complex vulnerabilities in real-world software. Generally available agents can already aid attackers, who only need to find one exploitable weakness, while defenders must continuously identify and patch all vulnerabilities across fast-growing codebases. Stronger defensive agents would help close this gap, yet the scarcity of security training data with reproducible build and execution environments remains a bottleneck. We present CyberForge, a framework that synthesizes executable, repository-level security training data by injecting vulnerabilities into real C/C++ projects. It validates each instance dynamically: the injected build must pass the project's unit tests, and generated proof-of-vulnerability (PoV) must trigger on the injected build and not on the clean one. CyberForge is not limited by the availability of disclosed vulnerabilities, therefore it can scale in comparison to data augmentation techniques which rely on historic CVE data. The resulting corpus holds 1034 validated vulnerabilities across 80 projects and 63 weakness categories, with edit locality similar to real CVE patches under a real-versus-real noise floor. Fine-tuning on trajectories collected over this corpus improves SEC-bench patch repair by +3.3 to +14.7 points, in all six configurations of three model scales and two teachers, with the 31B student reaching its GPT-5.4-mini teacher, 72.7% against 74.0%. These gains generalize out of distribution to PatchEval, a corpus containing other programming languages, where every configuration also improves and the 31B student passes its teacher.

  • 7 authors
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Aug 5

Holistic Evaluation of Language Models

Language models (LMs) are becoming the foundation for almost all major language technologies, but their capabilities, limitations, and risks are not well understood. We present Holistic Evaluation of Language Models (HELM) to improve the transparency of language models. First, we taxonomize the vast space of potential scenarios (i.e. use cases) and metrics (i.e. desiderata) that are of interest for LMs. Then we select a broad subset based on coverage and feasibility, noting what's missing or underrepresented (e.g. question answering for neglected English dialects, metrics for trustworthiness). Second, we adopt a multi-metric approach: We measure 7 metrics (accuracy, calibration, robustness, fairness, bias, toxicity, and efficiency) for each of 16 core scenarios when possible (87.5% of the time). This ensures metrics beyond accuracy don't fall to the wayside, and that trade-offs are clearly exposed. We also perform 7 targeted evaluations, based on 26 targeted scenarios, to analyze specific aspects (e.g. reasoning, disinformation). Third, we conduct a large-scale evaluation of 30 prominent language models (spanning open, limited-access, and closed models) on all 42 scenarios, 21 of which were not previously used in mainstream LM evaluation. Prior to HELM, models on average were evaluated on just 17.9% of the core HELM scenarios, with some prominent models not sharing a single scenario in common. We improve this to 96.0%: now all 30 models have been densely benchmarked on the same core scenarios and metrics under standardized conditions. Our evaluation surfaces 25 top-level findings. For full transparency, we release all raw model prompts and completions publicly for further analysis, as well as a general modular toolkit. We intend for HELM to be a living benchmark for the community, continuously updated with new scenarios, metrics, and models.

  • 50 authors
·
Nov 16, 2022

Let's Go Shopping (LGS) -- Web-Scale Image-Text Dataset for Visual Concept Understanding

Vision and vision-language applications of neural networks, such as image classification and captioning, rely on large-scale annotated datasets that require non-trivial data-collecting processes. This time-consuming endeavor hinders the emergence of large-scale datasets, limiting researchers and practitioners to a small number of choices. Therefore, we seek more efficient ways to collect and annotate images. Previous initiatives have gathered captions from HTML alt-texts and crawled social media postings, but these data sources suffer from noise, sparsity, or subjectivity. For this reason, we turn to commercial shopping websites whose data meet three criteria: cleanliness, informativeness, and fluency. We introduce the Let's Go Shopping (LGS) dataset, a large-scale public dataset with 15 million image-caption pairs from publicly available e-commerce websites. When compared with existing general-domain datasets, the LGS images focus on the foreground object and have less complex backgrounds. Our experiments on LGS show that the classifiers trained on existing benchmark datasets do not readily generalize to e-commerce data, while specific self-supervised visual feature extractors can better generalize. Furthermore, LGS's high-quality e-commerce-focused images and bimodal nature make it advantageous for vision-language bi-modal tasks: LGS enables image-captioning models to generate richer captions and helps text-to-image generation models achieve e-commerce style transfer.

  • 13 authors
·
Jan 9, 2024 4

USF-MAE: Ultrasound Self-Supervised Foundation Model with Masked Autoencoding

Ultrasound imaging is one of the most widely used diagnostic modalities, offering real-time, radiation-free assessment across diverse clinical domains. However, interpretation of ultrasound images remains challenging due to high noise levels, operator dependence, and limited field of view, resulting in substantial inter-observer variability. Current Deep Learning approaches are hindered by the scarcity of large labeled datasets and the domain gap between general and sonographic images, which limits the transferability of models pretrained on non-medical data. To address these challenges, we introduce the Ultrasound Self-Supervised Foundation Model with Masked Autoencoding (USF-MAE), the first large-scale self-supervised MAE framework pretrained exclusively on ultrasound data. The model was pre-trained on 370,000 2D and 3D ultrasound images curated from 46 open-source datasets, collectively termed OpenUS-46, spanning over twenty anatomical regions. This curated dataset has been made publicly available to facilitate further research and reproducibility. Using a Vision Transformer encoder-decoder architecture, USF-MAE reconstructs masked image patches, enabling it to learn rich, modality-specific representations directly from unlabeled data. The pretrained encoder was fine-tuned on three public downstream classification benchmarks: BUS-BRA (breast cancer), MMOTU-2D (ovarian tumors), and GIST514-DB (gastrointestinal stromal tumors). Across all tasks, USF-MAE consistently outperformed conventional CNN and ViT baselines, achieving F1-scores of 81.6%, 79.6%, and 82.4%, respectively. Despite not using labels during pretraining, USF-MAE approached the performance of the supervised foundation model UltraSam on breast cancer classification and surpassed it on the other tasks, demonstrating strong cross-anatomical generalization.

  • 6 authors
·
Nov 6, 2025

mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Molecules

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

  • 14 authors
·
May 18, 2025

Towards Brain MRI Foundation Models for the Clinic: Findings from the FOMO25 Challenge

Clinical deployment of automated brain MRI analysis faces a fundamental challenge: clinical data is heterogeneous and noisy, and high-quality labels are prohibitively costly to obtain. Self-supervised learning (SSL) can address this by leveraging the vast amounts of unlabeled data produced in clinical workflows to train robust foundation models that adapt out-of-domain with minimal supervision. However, the development of foundation models for brain MRI has been limited by small pretraining datasets and in-domain benchmarking focused on high-quality, research-grade data. To address this gap, we organized the FOMO25 challenge as a satellite event at MICCAI 2025. FOMO25 provided participants with a large pretraining dataset, FOMO60K, and evaluated models on data sourced directly from clinical workflows in few-shot and out-of-domain settings. Tasks covered infarct classification, meningioma segmentation, and brain age regression, and considered both models trained on FOMO60K (method track) and any data (open track). Nineteen foundation models from sixteen teams were evaluated using a standardized containerized pipeline. Results show that (a) self-supervised pretraining improves generalization on clinical data under domain shift, with the strongest models trained out-of-domain surpassing supervised baselines trained in-domain. (b) No single pretraining objective benefits all tasks: MAE favors segmentation, hybrid reconstruction-contrastive objectives favor classification, and (c) strong performance was achieved by small pretrained models, and improvements from scaling model size and training duration did not yield reliable benefits.

David vs. Goliath: A comparative study of different-sized LLMs for code generation in the domain of automotive scenario generation

Scenario simulation is central to testing autonomous driving systems. Scenic, a domain-specific language (DSL) for CARLA, enables precise and reproducible scenarios, but NL-to-Scenic generation with large language models (LLMs) suffers from scarce data, limited reproducibility, and inconsistent metrics. We introduce NL2Scenic, an open dataset and framework with 146 NL/Scenic pairs, a difficulty-stratified 30-case test split, an Example Retriever, and 14 prompting variants (ZS, FS, CoT, SP, MoT). We evaluate 13 models: four proprietary (GPT-4o, GPT-5, Claude-Sonnet-4, Gemini-2.5-pro) and nine open-source code models (Qwen2.5Coder 0.5B-32B; CodeLlama 7B/13B/34B), using text metrics (BLEU, ChrF, EDIT-SIM, CrystalBLEU) and execution metrics (compilation and generation), and compare them with an expert study (n=11). EDIT-SIM correlates best with human judgments; we also propose EDIT-COMP (F1 of EDIT-SIM and compilation) as a robust dataset-level proxy that improves ranking fidelity. GPT-4o performs best overall, while Qwen2.5Coder-14B reaches about 88 percent of its expert score on local hardware. Retrieval-augmented prompting, Few-Shot with Example Retriever (FSER), consistently boosts smaller models, and scaling shows diminishing returns beyond mid-size, with Qwen2.5Coder outperforming CodeLlama at comparable scales. NL2Scenic and EDIT-COMP offer a standardized, reproducible basis for evaluating Scenic code generation and indicate that mid-size open-source models are practical, cost-effective options for autonomous-driving scenario programming.

  • 6 authors
·
Oct 14, 2025

Suppressing the sample variance of DESI-like galaxy clustering with fast simulations

Ongoing and upcoming galaxy redshift surveys, such as the Dark Energy Spectroscopic Instrument (DESI) survey, will observe vast regions of sky and a wide range of redshifts. In order to model the observations and address various systematic uncertainties, N-body simulations are routinely adopted, however, the number of large simulations with sufficiently high mass resolution is usually limited by available computing time. Therefore, achieving a simulation volume with the effective statistical errors significantly smaller than those of the observations becomes prohibitively expensive. In this study, we apply the Convergence Acceleration by Regression and Pooling (CARPool) method to mitigate the sample variance of the DESI-like galaxy clustering in the AbacusSummit simulations, with the assistance of the quasi-N-body simulations FastPM. Based on the halo occupation distribution (HOD) models, we construct different FastPM galaxy catalogs, including the luminous red galaxies (LRGs), emission line galaxies (ELGs), and quasars, with their number densities and two-point clustering statistics well matched to those of AbacusSummit. We also employ the same initial conditions between AbacusSummit and FastPM to achieve high cross-correlation, as it is useful in effectively suppressing the variance. Our method of reducing noise in clustering is equivalent to performing a simulation with volume larger by a factor of 5 and 4 for LRGs and ELGs, respectively. We also mitigate the standard deviation of the LRG bispectrum with the triangular configurations k_2=2k_1=0.2 h/Mpc by a factor of 1.6. With smaller sample variance on galaxy clustering, we are able to constrain the baryon acoustic oscillations (BAO) scale parameters to higher precision. The CARPool method will be beneficial to better constrain the theoretical systematics of BAO, redshift space distortions (RSD) and primordial non-Gaussianity (NG).

  • 47 authors
·
Apr 3, 2024

On the Surprising Effectiveness of Large Learning Rates under Standard Width Scaling

Scaling limits, such as infinite-width limits, serve as promising theoretical tools to study large-scale models. However, it is widely believed that existing infinite-width theory does not faithfully explain the behavior of practical networks, especially those trained in standard parameterization (SP) meaning He initialization with a global learning rate. For instance, existing theory for SP predicts instability at large learning rates and vanishing feature learning at stable ones. In practice, however, optimal learning rates decay slower than theoretically predicted and networks exhibit both stable training and non-trivial feature learning, even at very large widths. Here, we show that this discrepancy is not fully explained by finite-width phenomena. Instead, we find a resolution through a finer-grained analysis of the regime previously considered unstable and therefore uninteresting. In particular, we show that, under cross-entropy (CE) loss, the unstable regime comprises two distinct sub-regimes: a catastrophically unstable regime and a more benign controlled divergence regime, where logits diverge but gradients and activations remain stable. Moreover, under large learning rates at the edge of the controlled divergence regime, there exists a well-defined infinite width limit where features continue to evolve in all the hidden layers. In experiments across optimizers, architectures, and data modalities, we validate that neural networks operate in this controlled divergence regime under CE loss but not under MSE loss. Our empirical evidence suggests that width-scaling considerations are surprisingly useful for predicting empirically maximal stable learning rate exponents which provide useful guidance on optimal learning rate exponents. Finally, our analysis clarifies the effectiveness and limitations of recently proposed layerwise learning rate scaling for standard initialization.

  • 4 authors
·
Oct 24, 2025

Quantum error correction below the surface code threshold

Quantum error correction provides a path to reach practical quantum computing by combining multiple physical qubits into a logical qubit, where the logical error rate is suppressed exponentially as more qubits are added. However, this exponential suppression only occurs if the physical error rate is below a critical threshold. In this work, we present two surface code memories operating below this threshold: a distance-7 code and a distance-5 code integrated with a real-time decoder. The logical error rate of our larger quantum memory is suppressed by a factor of Λ = 2.14 pm 0.02 when increasing the code distance by two, culminating in a 101-qubit distance-7 code with 0.143% pm 0.003% error per cycle of error correction. This logical memory is also beyond break-even, exceeding its best physical qubit's lifetime by a factor of 2.4 pm 0.3. We maintain below-threshold performance when decoding in real time, achieving an average decoder latency of 63 μs at distance-5 up to a million cycles, with a cycle time of 1.1 μs. To probe the limits of our error-correction performance, we run repetition codes up to distance-29 and find that logical performance is limited by rare correlated error events occurring approximately once every hour, or 3 times 10^9 cycles. Our results present device performance that, if scaled, could realize the operational requirements of large scale fault-tolerant quantum algorithms.

  • 249 authors
·
Aug 23, 2024

Explaining Neural Scaling Laws

The population loss of trained deep neural networks often follows precise power-law scaling relations with either the size of the training dataset or the number of parameters in the network. We propose a theory that explains the origins of and connects these scaling laws. We identify variance-limited and resolution-limited scaling behavior for both dataset and model size, for a total of four scaling regimes. The variance-limited scaling follows simply from the existence of a well-behaved infinite data or infinite width limit, while the resolution-limited regime can be explained by positing that models are effectively resolving a smooth data manifold. In the large width limit, this can be equivalently obtained from the spectrum of certain kernels, and we present evidence that large width and large dataset resolution-limited scaling exponents are related by a duality. We exhibit all four scaling regimes in the controlled setting of large random feature and pretrained models and test the predictions empirically on a range of standard architectures and datasets. We also observe several empirical relationships between datasets and scaling exponents under modifications of task and architecture aspect ratio. Our work provides a taxonomy for classifying different scaling regimes, underscores that there can be different mechanisms driving improvements in loss, and lends insight into the microscopic origins of and relationships between scaling exponents.

  • 5 authors
·
Feb 12, 2021

Inflationary Attractors Predictions for Static Neutron Stars in the Mass-Gap Region

In this work we study static neutron stars in the context of several inflationary models which are popular in cosmology. These inflationary models are non-minimally coupled scalar theories which yield a viable inflationary phenomenology in both Jordan and Einstein frames. By considering the constraints from inflationary theories, which basically determine the values of the potential strength, usually considered as a free parameter in astrophysical neutron star works, we construct and solve the Tolman-Oppenheimer-Volkoff equations using a solid python-3 LSODA integrator. For our study we consider several popular inflationary models, such as the universal attractors, the R^p attractors (three distinct model values), the induced inflation, the quadratic inflation, the Higgs inflation and the a-attractors (two distinct model values) and for the following popular equations of state the WFF1, the SLy, the APR, the MS1, the AP3, the AP4, the ENG, the MPA1 and the MS1b. We construct the M-R diagram and we confront the resulting theory with theoretical and observational constraints. As we demonstrate, remarkably, all the neutron stars produced by all the inflationary models we considered are compatible with all the constraints for the MPA1 equation of state. It is notable that for this particular equation of state, the maximum masses of the neutron stars are in the mass-gap region with M>2.5M_{odot}, but lower than the 3 solar masses causal limit. We also make the observation that as the NICER constraints are pushed towards larger radii, as for example in the case of the black widow pulsar PSR J0952-0607, it seems that equations of state that produce neutron stars with maximum masses in the mass gap region, with M>2.5M_{odot}, but lower than the 3 solar masses causal limit, are favored and are compatible with the modified NICER constraints.

  • 2 authors
·
May 9, 2023

Bayes-optimal learning of an extensive-width neural network from quadratically many samples

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

  • 5 authors
·
Aug 7, 2024

A theory of representation learning gives a deep generalisation of kernel methods

The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.

  • 6 authors
·
Aug 30, 2021

Linear statistics for Coulomb gases: higher order cumulants

We consider N classical particles interacting via the Coulomb potential in spatial dimension d and in the presence of an external trap, at equilibrium at inverse temperature beta. In the large N limit, the particles are confined within a droplet of finite size. We study smooth linear statistics, i.e. the fluctuations of sums of the form {cal L}_N = sum_{i=1}^N f({bf x}_i), where {bf x}_i's are the positions of the particles and where f({bf x}_i) is a sufficiently regular function. There exists at present standard results for the first and second moments of {cal L}_N in the large N limit, as well as associated Central Limit Theorems in general dimension and for a wide class of confining potentials. Here we obtain explicit expressions for the higher order cumulants of {cal L}_N at large N, when the function f({bf x})=f(|{bf x}|) and the confining potential are both rotationnally invariant. A remarkable feature of our results is that these higher cumulants depend only on the value of f'(|{bf x}|) and its higher order derivatives evaluated exactly at the boundary of the droplet, which in this case is a d-dimensional sphere. In the particular two-dimensional case d=2 at the special value beta=2, a connection to the Ginibre ensemble allows us to derive these results in an alternative way using the tools of determinantal point processes. Finally we also obtain the large deviation form of the full probability distribution function of {cal L}_N.

  • 4 authors
·
Oct 25, 2023

Numerical Approximation Capacity of Neural Networks with Bounded Parameters: Do Limits Exist, and How Can They Be Measured?

The Universal Approximation Theorem posits that neural networks can theoretically possess unlimited approximation capacity with a suitable activation function and a freely chosen or trained set of parameters. However, a more practical scenario arises when these neural parameters, especially the nonlinear weights and biases, are bounded. This leads us to question: Does the approximation capacity of a neural network remain universal, or does it have a limit when the parameters are practically bounded? And if it has a limit, how can it be measured? Our theoretical study indicates that while universal approximation is theoretically feasible, in practical numerical scenarios, Deep Neural Networks (DNNs) with any analytic activation functions (such as Tanh and Sigmoid) can only be approximated by a finite-dimensional vector space under a bounded nonlinear parameter space (NP space), whether in a continuous or discrete sense. Based on this study, we introduce the concepts of ε outer measure and Numerical Span Dimension (NSdim) to quantify the approximation capacity limit of a family of networks both theoretically and practically. Furthermore, drawing on our new theoretical study and adopting a fresh perspective, we strive to understand the relationship between back-propagation neural networks and random parameter networks (such as the Extreme Learning Machine (ELM)) with both finite and infinite width. We also aim to provide fresh insights into regularization, the trade-off between width and depth, parameter space, width redundancy, condensation, and other related important issues.

  • 3 authors
·
Sep 25, 2024

Is Dimensionality a Barrier for Retrieval Models?

Why does the low dimensionality of representations, typically dapprox 1000, not prevent modern embedding-based retrieval models from scaling to billions, or even trillions, of data points? To answer this question, we study maximal-margin embeddings in the following retrieval model, classically studied in communication complexity [PS86] and more recently in embedding-based retrieval [WBNL26]. Let Ain {0,1}^{Ntimes n} be a matrix indicating whether each of N queries is relevant to each of n documents. We are interested in the largest margin m>0, denoted by m^{rd}(d, A), for which there exist unit norm embeddings of the queries and documents {U_j}_{j = 1}^N, {V_i}_{i = 1}^n with the following property. langle U_j, V_irangle ge m whenever A_{ji} = 1 and langle U_j, V_irangle le -m otherwise. A large margin is a key proxy for representation quality: it controls both robustness to perturbations and compositional generalization across queries. Our main theorem establishes that the best possible margin without a restriction on the dimension, m^{rd}(+infty, A), can be nearly achieved in dimension d = O(m^{rd}(+infty, A)^{-2}log n) which improves a theorem of [BDES02]. Together with a matching lower bound in Theorem 1.5, we conclude that when Ain {0,1}^{n{k}times n} is the matrix containing all possible k-sparse rows once, dimension d = O(klog (n/k)) is necessary and sufficient for the maximal possible margin m^{rd}(+infty, A) = Θ(k^{-1/2}) in this setting. This fully resolves the setup of [WBNL26]. We also give several constructions for large margins when d = o(klog (n/k)). Finally, we empirically test the InfoNCE and sigmoid losses for producing large margin embeddings and demonstrate a clear advantage of the sigmoid loss.

  • 4 authors
·
May 21

Parabolic-elliptic and indirect-direct simplifications in chemotaxis systems driven by indirect signalling

Singular limits for the following indirect signalling chemotaxis system align* \left\{ array{lllllll} \partial_t n = \Delta n - \nabla \cdot (n \nabla c ) & in \Omega\times(0,\infty) , \varepsilon \partial_t c = \Delta c - c + w & in \Omega\times(0,\infty), \varepsilon \partial_t w = \tau \Delta w - w + n & in \Omega\times (0,\infty), \partial_\nu n = \partial_\nu c = \partial_\nu w = 0, &on \partial\Omega\times (0,\infty) %(n,c,w)_{t=0} = (n_0,c_0,w_0) & on \Omega, array \right. align* are investigated. More precisely, we study parabolic-elliptic simplification, or PES, varepsilonto 0^+ with fixed tau>0 up to the critical dimension N=4, and indirect-direct simplification, or IDS, (varepsilon,tau)to (0^+,0^+) up to the critical dimension N=2. These are relevant in biological situations where the signalling process is on a much faster time scale compared to the species diffusion and all interactions. Showing singular limits in critical dimensions is challenging. To deal with the PES, we carefully combine the entropy function, an Adam-type inequality, the regularisation of slow evolution, and an energy equation method to obtain strong convergence in representative spaces. For the IDS, a bootstrap argument concerning the L^p-energy function is devised, which allows us to obtain suitable uniform bounds for the singular limits. Moreover, in both scenarios, we also present the convergence rates, where the effect of the initial layer and the convergence to the critical manifold are also revealed.

  • 4 authors
·
Aug 2, 2025

Feature Learning in Infinite-Width Neural Networks

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

  • 2 authors
·
Nov 29, 2020

Neural Network Approximations of PDEs Beyond Linearity: A Representational Perspective

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

  • 4 authors
·
Oct 21, 2022

Hierarchical Melnikov Realization: Logarithmic Factor Improvement to Hilbert Number Lower Bounds

The second part of Hilbert's 16th problem is one of the most fundamental open problems in the qualitative theory of ordinary differential equations and dynamical systems. A central unresolved question is whether the Hilbert number H(d) is finite for arbitrary polynomial degree d. (A very recent manuscript from OpenAI asserts the finiteness of H(d); see the remark at the end of this paper.) In the absence of a general upper bound theory, most existing work constructs explicit perturbed polynomial systems to obtain improved lower bounds for H(d), while rigorous upper bound estimates remain largely unavailable. This paper focuses on improving the quantitative lower bound for polynomial systems through a systematic Hierarchical Melnikov Realization framework. We construct perturbed dynamics based on an anisotropic Chebyshev Hamiltonian, where hierarchically selected perturbation coefficients generate simple zeros of the first-order Melnikov function simultaneously across multiple disjoint period annuli. Two distinct 3-adic filtrations supply the necessary logarithmic correction factors, and a Borel--Gauss analysis establishes the required local rank condition under sufficiently strong anisotropy. As the main result of this work, we prove that H(d)=Ωbigl(d^2ln^2 dbigr), which improves the previously known lower bound by a factor of ln d. The full construction of limit cycles and the resulting dynamical bounds are formally certified using Lean 4 formal verification.

  • 2 authors
·
Oct 7

High-dimensional dynamics of generalization error in neural networks

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation.

  • 2 authors
·
Oct 10, 2017

From Logistic Regression to the Perceptron Algorithm: Exploring Gradient Descent with Large Step Sizes

We focus on the classification problem with a separable dataset, one of the most important and classical problems from machine learning. The standard approach to this task is logistic regression with gradient descent (LR+GD). Recent studies have observed that LR+GD can find a solution with arbitrarily large step sizes, defying conventional optimization theory. Our work investigates this phenomenon and makes three interconnected key observations about LR+GD with large step sizes. First, we find a remarkably simple explanation of why LR+GD with large step sizes solves the classification problem: LR+GD reduces to a batch version of the celebrated perceptron algorithm when the step size gamma to infty. Second, we observe that larger step sizes lead LR+GD to higher logistic losses when it tends to the perceptron algorithm, but larger step sizes also lead to faster convergence to a solution for the classification problem, meaning that logistic loss is an unreliable metric of the proximity to a solution. Surprisingly, high loss values can actually indicate faster convergence. Third, since the convergence rate in terms of loss function values of LR+GD is unreliable, we examine the iteration complexity required by LR+GD with large step sizes to solve the classification problem and prove that this complexity is suboptimal. To address this, we propose a new method, Normalized LR+GD - based on the connection between LR+GD and the perceptron algorithm - with much better theoretical guarantees.

  • 1 authors
·
Dec 11, 2024

Global solutions to the two-dimensional compressible MHD equations with density-dependent bulk viscosity

We study the two-dimensional periodic resistive compressible magnetohydrodynamic equations with constant shear viscosity and magnetic diffusivity, bulk viscosity ρ^β, and pressure ρ^γ. For every β>1 and γ>1, we construct global finite-energy renormalized weak solutions from strictly positive bounded W^{1,q} densities, q>2, and arbitrary H^1 velocity and magnetic data. The construction combines approximation-independent finite density moments, generalized effective-flux identities, and a joint logarithmic renormalization of the density and its entropy defect. An augmented relative energy containing the β-power density potential yields weak--strong uniqueness against positive H^2 strong solutions for the same full pressure range. We also establish global strong existence for a large-background family when γ>max{5-2β,β+1}. Writing m=intρ_0, the density perturbation is bounded in the scaled norm m^{(γ-3)/2}|ρ_0-m|_{H^2}, while the fixed H^2 velocity and magnetic norms need not be small. For sufficiently large m, frequency-dependent acoustic dissipation, staged vorticity weights, and a separate initial-layer flux estimate close a simultaneous bootstrap. The admissible pressure exponents have infimum 7/3, with the endpoint excluded. For β>2 the relevant damping rate is the minimum of the viscous and pressure-relaxation rates; keeping both rates extends the argument without an upper restriction on β. The strong theorem has no upper restriction on γ under this scaled density hypothesis; for fixed additive density perturbations it applies in the stated lower range up to γ=3.

  • 3 authors
·
Oct 3