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Jul 31

SMF: Template-free and Rig-free Animation Transfer using Kinetic Codes

Animation retargetting applies sparse motion description (e.g., keypoint sequences) to a character mesh to produce a semantically plausible and temporally coherent full-body mesh sequence. Existing approaches come with restrictions -- they require access to template-based shape priors or artist-designed deformation rigs, suffer from limited generalization to unseen motion and/or shapes, or exhibit motion jitter. We propose Self-supervised Motion Fields (SMF), a self-supervised framework that is trained with only sparse motion representations, without requiring dataset-specific annotations, templates, or rigs. At the heart of our method are Kinetic Codes, a novel autoencoder-based sparse motion encoding, that exposes a semantically rich latent space, simplifying large-scale training. Our architecture comprises dedicated spatial and temporal gradient predictors, which are jointly trained in an end-to-end fashion. The combined network, regularized by the Kinetic Codes' latent space, has good generalization across both unseen shapes and new motions. We evaluated our method on unseen motion sampled from AMASS, D4D, Mixamo, and raw monocular video for animation transfer on various characters with varying shapes and topology. We report a new SoTA on the AMASS dataset in the context of generalization to unseen motion. Code, weights, and supplementary are available on the project webpage at https://motionfields.github.io/

  • 3 authors
·
Apr 7, 2025

Can Spatiotemporal 3D CNNs Retrace the History of 2D CNNs and ImageNet?

The purpose of this study is to determine whether current video datasets have sufficient data for training very deep convolutional neural networks (CNNs) with spatio-temporal three-dimensional (3D) kernels. Recently, the performance levels of 3D CNNs in the field of action recognition have improved significantly. However, to date, conventional research has only explored relatively shallow 3D architectures. We examine the architectures of various 3D CNNs from relatively shallow to very deep ones on current video datasets. Based on the results of those experiments, the following conclusions could be obtained: (i) ResNet-18 training resulted in significant overfitting for UCF-101, HMDB-51, and ActivityNet but not for Kinetics. (ii) The Kinetics dataset has sufficient data for training of deep 3D CNNs, and enables training of up to 152 ResNets layers, interestingly similar to 2D ResNets on ImageNet. ResNeXt-101 achieved 78.4% average accuracy on the Kinetics test set. (iii) Kinetics pretrained simple 3D architectures outperforms complex 2D architectures, and the pretrained ResNeXt-101 achieved 94.5% and 70.2% on UCF-101 and HMDB-51, respectively. The use of 2D CNNs trained on ImageNet has produced significant progress in various tasks in image. We believe that using deep 3D CNNs together with Kinetics will retrace the successful history of 2D CNNs and ImageNet, and stimulate advances in computer vision for videos. The codes and pretrained models used in this study are publicly available. https://github.com/kenshohara/3D-ResNets-PyTorch

  • 3 authors
·
Nov 27, 2017

Physics-Informed Neural Compression of High-Dimensional Plasma Data

High-fidelity scientific simulations are now producing unprecedented amounts of data, creating a storage and analysis bottleneck. A single simulation can generate tremendous data volumes, often forcing researchers to discard valuable information. A prime example of this is plasma turbulence described by the gyrokinetic equations: nonlinear, multiscale, and 5D in phase space. It constitutes one of the most computationally demanding frontiers of modern science, with runs taking weeks and yielding tens of terabytes of data dumps. The increasing storage demands underscore the importance of compression. However, reconstructed snapshots do not necessarily preserve essential physical quantities. We present a spatiotemporal evaluation pipeline, accounting for structural phenomena and multi-scale transient fluctuations to assess the degree of physical fidelity. Indeed, we find that various compression techniques lack preservation of both spatial mode structure and temporal turbulence characteristics. Therefore, we explore Physics-Informed Neural Compression (PINC), which incorporates physics-informed losses tailored to gyrokinetics and enables extreme compressions ratios of over 70,000x. Entropy coding on top of PINC further pushes it to 120,000x. This direction provides a viable and scalable solution to the prohibitive storage demands of gyrokinetics, enabling post-hoc analyses that were previously infeasible.

  • 9 authors
·
Feb 4

Requential Coding: Pushing the Limits of Model Compression with Self-Generated Training Data

Compression is fundamental to intelligence. A model that can represent its training data as a short code has discovered regularities that enable generalization. Large neural networks may learn functions far simpler than their parameter counts suggest, but it is challenging to construct codes that realize this simplicity. Parameter-based methods such as quantization produce code lengths that scale with model size, insensitive to how much information the parameters store. Prequential coding bypasses this issue by compressing the training trajectory, but codes the exact data sequence regardless of how much the model learns, yielding large codes when the data has high entropy. We introduce requential coding, where a teacher model selects training samples drawn from the student's own distribution. The student's code records only these selections, which cost bits only where teacher and student disagree. The resulting code length is independent of parameter count and data entropy, and often orders of magnitude shorter than the prequential counterpart, with an advantage that grows with scale. This compression sheds light on phenomena inaccessible to prior compressors. Holding loss fixed, larger models and ensembles compress to much smaller sizes despite more parameters. Plugged into a PAC-Bayes bound, the requential code yields state-of-the-art generalization guarantees for billion-parameter LLMs, outperforming bounds built on aggressive post-training quantization even granted zero error. The bound tightens with scale in the compute-optimal regime, as models become increasingly compressible relative to dataset size. The same code predicts that models gradually overfit when trained for multiple epochs. It also isolates the learnable information in a dataset from its unpredictable, random content, revealing that lower-entropy text holds far more learnable structure than higher-entropy image data.

  • 5 authors
·
Jul 12

ChemKED: a human- and machine-readable data standard for chemical kinetics experiments

Fundamental experimental measurements of quantities such as ignition delay times, laminar flame speeds, and species profiles (among others) serve important roles in understanding fuel chemistry and validating chemical kinetic models. However, despite both the importance and abundance of such information in the literature, the community lacks a widely adopted standard format for this data. This impedes both sharing and wide use by the community. Here we introduce a new chemical kinetics experimental data format, ChemKED, and the related Python-based package for validating and working with ChemKED-formatted files called PyKED. We also review past and related efforts, and motivate the need for a new solution. ChemKED currently supports the representation of autoignition delay time measurements from shock tubes and rapid compression machines. ChemKED-formatted files contain all of the information needed to simulate experimental data points, including the uncertainty of the data. ChemKED is based on the YAML data serialization language, and is intended as a human- and machine-readable standard for easy creation and automated use. Development of ChemKED and PyKED occurs openly on GitHub under the BSD 3-clause license, and contributions from the community are welcome. Plans for future development include support for experimental data from laminar flame, jet stirred reactor, and speciation measurements.

  • 2 authors
·
Jun 6, 2017

Kinetics: Rethinking Test-Time Scaling Laws

We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-N, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential for realizing the full potential of test-time scaling because, unlike training, where parameter scaling saturates, test-time accuracy continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.

  • 6 authors
·
Jun 5, 2025 1

Transformers Discover Molecular Structure Without Graph Priors

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs often induced by a fixed radius cutoff or k-nearest neighbor scheme. While this design aligns with the locality present in many molecular tasks, a hard-coded graph can limit expressivity due to the fixed receptive field and slows down inference with sparse graph operations. In this work, we investigate whether pure, unmodified Transformers trained directly on Cartesian coordinatesx2013without predefined graphs or physical priorsx2013can approximate molecular energies and forces. As a starting point for our analysis, we demonstrate how to train a Transformer to competitive energy and force mean absolute errors under a matched training compute budget, relative to a state-of-the-art equivariant GNN on the OMol25 dataset. We discover that the Transformer learns physically consistent patternsx2013such as attention weights that decay inversely with interatomic distancex2013and flexibly adapts them across different molecular environments due to the absence of hard-coded biases. The use of a standard Transformer also unlocks predictable improvements with respect to scaling training resources, consistent with empirical scaling laws observed in other domains. Our results demonstrate that many favorable properties of GNNs can emerge adaptively in Transformers, challenging the necessity of hard-coded graph inductive biases and pointing toward standardized, scalable architectures for molecular modeling.

Berkeley UC Berkeley
·
Oct 2, 2025 2

Learning fast, accurate, and stable closures of a kinetic theory of an active fluid

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

  • 3 authors
·
Aug 12, 2023

CoCoSoDa: Effective Contrastive Learning for Code Search

Code search aims to retrieve semantically relevant code snippets for a given natural language query. Recently, many approaches employing contrastive learning have shown promising results on code representation learning and greatly improved the performance of code search. However, there is still a lot of room for improvement in using contrastive learning for code search. In this paper, we propose CoCoSoDa to effectively utilize contrastive learning for code search via two key factors in contrastive learning: data augmentation and negative samples. Specifically, soft data augmentation is to dynamically masking or replacing some tokens with their types for input sequences to generate positive samples. Momentum mechanism is used to generate large and consistent representations of negative samples in a mini-batch through maintaining a queue and a momentum encoder. In addition, multimodal contrastive learning is used to pull together representations of code-query pairs and push apart the unpaired code snippets and queries. We conduct extensive experiments to evaluate the effectiveness of our approach on a large-scale dataset with six programming languages. Experimental results show that: (1) CoCoSoDa outperforms 14 baselines and especially exceeds CodeBERT, GraphCodeBERT, and UniXcoder by 13.3%, 10.5%, and 5.9% on average MRR scores, respectively. (2) The ablation studies show the effectiveness of each component of our approach. (3) We adapt our techniques to several different pre-trained models such as RoBERTa, CodeBERT, and GraphCodeBERT and observe a significant boost in their performance in code search. (4) Our model performs robustly under different hyper-parameters. Furthermore, we perform qualitative and quantitative analyses to explore reasons behind the good performance of our model.

  • 8 authors
·
Apr 7, 2022

Learning to Generate Object Interactions with Physics-Guided Video Diffusion

Recent models for video generation have achieved remarkable progress and are now deployed in film, social media production, and advertising. Beyond their creative potential, such models also hold promise as world simulators for robotics and embodied decision making. Despite strong advances, however, current approaches still struggle to generate physically plausible object interactions and lack physics-grounded control mechanisms. To address this limitation, we introduce KineMask, an approach for physics-guided video generation that enables realistic rigid body control, interactions, and effects. Given a single image and a specified object velocity, our method generates videos with inferred motions and future object interactions. We propose a two-stage training strategy that gradually removes future motion supervision via object masks. Using this strategy we train video diffusion models (VDMs) on synthetic scenes of simple interactions and demonstrate significant improvements of object interactions in real scenes. Furthermore, KineMask integrates low-level motion control with high-level textual conditioning via predictive scene descriptions, leading to effective support for synthesis of complex dynamical phenomena. Extensive experiments show that KineMask achieves strong improvements over recent models of comparable size. Ablation studies further highlight the complementary roles of low- and high-level conditioning in VDMs. Our code, model, and data will be made publicly available.

  • 5 authors
·
Oct 2, 2025

What Breaks When LLMs Code? Characterizing Operational Safety Failures of Agentic Code Assistants

Autonomous coding agents built on large language models (LLMs) are rapidly being integrated into development workflows, yet their operational safety properties remain poorly understood beyond evaluations of explicitly malicious inputs. In practice, high-impact failures arise during benign, goal-directed use through environment breakage, fabricated success reports, etc. that current benchmarks do not capture. What categories of operational safety failures actually occur when coding agents are used for everyday development tasks and what is their impact? We present an incident-driven empirical study grounded in two complementary evidence streams. We screen 68,816 papers from 22 premier venues, curating 185 safety-relevant studies, and mine 16,586 GitHub issues from widely deployed LLM-powered coding tools, manually confirming 547 genuine safety failures. Applying systematic open coding over both corpora, we derive a multi-dimensional safety taxonomy of 33 operational risk types organized across seven dimensions, and annotate each incident with contributing factors, task context, severity, and downstream impact. Our findings show that coding-agent failures are often severe, with 326 of 547 incidents rated high or critical. The dominant risks are constraint violations, destructive operations, authorization bypasses, and deception, and over 65% of incidents arise in bug fixing and setup or configuration, patterns largely missing from prior literature. These results have direct implications for SE tool designers and benchmark developers: guardrails must go beyond adversarial-prompt defenses to enforce environmental constraints, failure transparency, and safe-halt behaviors.

  • 2 authors
·
May 28

LOCO Codes Can Correct as Well: Error-Correction Constrained Coding for DNA Data Storage

As a medium for cold data storage, DNA stands out as it promises significant gains in storage capacity and lifetime. However, it comes with its own data processing challenges to overcome. Constrained codes over the DNA alphabet {A,T,G,C} have been used to design DNA sequences that are free of long homopolymers to increase stability, yet effective error detection and error correction are required to achieve reliability in data retrieval. Recently, we introduced lexicographically-ordered constrained (LOCO) codes, namely DNA LOCO (D-LOCO) codes, with error detection. In this paper, we equip our D-LOCO codes with error correction for substitution errors via syndrome-like decoding, designated as residue decoding. We only use D-LOCO codewords of indices divisible by a suitable redundancy metric R(m) > 0, where m is the code length, for error correction. We provide the community with a construction of constrained codes forbidding runs of length higher than fixed ell in {1,2,3} and GC-content in big [0.5-1{2K},0.5+1{2K}big ] that correct K segmented substitution errors, one per codeword. We call the proposed codes error-correction (EC) D-LOCO codes. We also give a list-decoding procedure with near-quadratic time-complexity in m to correct double-substitution errors within EC D-LOCO codewords, which has > 98.20% average success rate. The redundancy metric is projected to require 2log_2(m)+O(1)-bit allocation for a length-m codeword. Hence, our EC D-LOCO codes are projected to be capacity-approaching with respect to the error-free constrained system.

  • 2 authors
·
Apr 1, 2025

pyhgf: A neural network library for predictive coding

Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support embodied, adaptable, and energy-efficient autonomous agents. A central theory in this domain is predictive coding, which posits that learning and behaviour are driven by hierarchical probabilistic inferences about the causes of sensory inputs. Biological realism constrains these networks to rely on simple local computations in the form of precision-weighted predictions and prediction errors. This can make this framework highly efficient, but its implementation comes with unique challenges on the software development side. Embedding such models in standard neural network libraries often becomes limiting, as these libraries' compilation and differentiation backends can force a conceptual separation between optimization algorithms and the systems being optimized. This critically departs from other biological principles such as self-monitoring, self-organisation, cellular growth and functional plasticity. In this paper, we introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating and sampling dynamic networks for predictive coding. We improve over other frameworks by enclosing the network components as transparent, modular and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary computational complexities as beliefs propagation. But the transparency of core variables can also translate into inference processes that leverage self-organisation principles, and express structure learning, meta-learning or causal discovery as the consequence of network structural adaptation to surprising inputs. The code, tutorials and documentation are hosted at: https://github.com/ilabcode/pyhgf.

  • 7 authors
·
Oct 11, 2024

A medical coding language model trained on clinical narratives from a population-wide cohort of 1.8 million patients

Medical coding translates clinical documentation into standardized codes for billing, research, and public health, but manual coding is time-consuming and error-prone. Existing automation efforts rely on small datasets that poorly represent real-world patient heterogeneity. We trained a language model on 5.8 million electronic health records from 1.8 million patients across nearly all specialties in Eastern Denmark (2006--2016) to predict ICD-10 codes from clinical notes, medications, and laboratory results. Evaluated on 270,000 held-out patients, the model achieved a micro F1 of 71.8% and a top-10 recall of 95.5%. Performance varied by specialty (F1: 53--91%), with higher scores in specialties with well-defined diagnostic criteria. Codes appearing predominantly as secondary diagnoses had markedly lower F1 scores. For three such codes (suicide-related behaviors, weight disorders, and hypertension), the model identified thousands of uncoded cases, of which 76-86% were confirmed valid upon manual review, suggesting systematic under-coding rather than model error. These findings suggest under-coding of secondary diagnoses in Eastern Denmark during this period, with potential implications for epidemiological research, public health surveillance, and understanding of multimorbidity. Similar time constraints and reimbursement structures in other healthcare systems suggest this may not be isolated to this dataset. The model can automate coding for approximately 50% of cases and provide accurate suggestions for most others, and may offer a practical solution to help capture missed secondary conditions.

  • 6 authors
·
Mar 2

Stable Code Technical Report

We introduce Stable Code, the first in our new-generation of code language models series, which serves as a general-purpose base code language model targeting code completion, reasoning, math, and other software engineering-based tasks. Additionally, we introduce an instruction variant named Stable Code Instruct that allows conversing with the model in a natural chat interface for performing question-answering and instruction-based tasks. In this technical report, we detail the data and training procedure leading to both models. Their weights are available via Hugging Face for anyone to download and use at https://huggingface.co/stabilityai/stable-code-3b and https://huggingface.co/stabilityai/stable-code-instruct-3b. This report contains thorough evaluations of the models, including multilingual programming benchmarks, and the MT benchmark focusing on multi-turn dialogues. At the time of its release, Stable Code is the state-of-the-art open model under 3B parameters and even performs comparably to larger models of sizes 7 billion and 15 billion parameters on the popular Multi-PL benchmark. Stable Code Instruct also exhibits state-of-the-art performance on the MT-Bench coding tasks and on Multi-PL completion compared to other instruction tuned models. Given its appealing small size, we also provide throughput measurements on a number of edge devices. In addition, we open source several quantized checkpoints and provide their performance metrics compared to the original model.

  • 11 authors
·
Apr 1, 2024

TrackSSM: A General Motion Predictor by State-Space Model

Temporal motion modeling has always been a key component in multiple object tracking (MOT) which can ensure smooth trajectory movement and provide accurate positional information to enhance association precision. However, current motion models struggle to be both efficient and effective across different application scenarios. To this end, we propose TrackSSM inspired by the recently popular state space models (SSM), a unified encoder-decoder motion framework that uses data-dependent state space model to perform temporal motion of trajectories. Specifically, we propose Flow-SSM, a module that utilizes the position and motion information from historical trajectories to guide the temporal state transition of object bounding boxes. Based on Flow-SSM, we design a flow decoder. It is composed of a cascaded motion decoding module employing Flow-SSM, which can use the encoded flow information to complete the temporal position prediction of trajectories. Additionally, we propose a Step-by-Step Linear (S^2L) training strategy. By performing linear interpolation between the positions of the object in the previous frame and the current frame, we construct the pseudo labels of step-by-step linear training, ensuring that the trajectory flow information can better guide the object bounding box in completing temporal transitions. TrackSSM utilizes a simple Mamba-Block to build a motion encoder for historical trajectories, forming a temporal motion model with an encoder-decoder structure in conjunction with the flow decoder. TrackSSM is applicable to various tracking scenarios and achieves excellent tracking performance across multiple benchmarks, further extending the potential of SSM-like temporal motion models in multi-object tracking tasks. Code and models are publicly available at https://github.com/Xavier-Lin/TrackSSM.

  • 5 authors
·
Aug 31, 2024

Generative Human Motion Stylization in Latent Space

Human motion stylization aims to revise the style of an input motion while keeping its content unaltered. Unlike existing works that operate directly in pose space, we leverage the latent space of pretrained autoencoders as a more expressive and robust representation for motion extraction and infusion. Building upon this, we present a novel generative model that produces diverse stylization results of a single motion (latent) code. During training, a motion code is decomposed into two coding components: a deterministic content code, and a probabilistic style code adhering to a prior distribution; then a generator massages the random combination of content and style codes to reconstruct the corresponding motion codes. Our approach is versatile, allowing the learning of probabilistic style space from either style labeled or unlabeled motions, providing notable flexibility in stylization as well. In inference, users can opt to stylize a motion using style cues from a reference motion or a label. Even in the absence of explicit style input, our model facilitates novel re-stylization by sampling from the unconditional style prior distribution. Experimental results show that our proposed stylization models, despite their lightweight design, outperform the state-of-the-art in style reenactment, content preservation, and generalization across various applications and settings. Project Page: https://murrol.github.io/GenMoStyle

  • 7 authors
·
Jan 24, 2024

Code2Video: A Code-centric Paradigm for Educational Video Generation

While recent generative models advance pixel-space video synthesis, they remain limited in producing professional educational videos, which demand disciplinary knowledge, precise visual structures, and coherent transitions, limiting their applicability in educational scenarios. Intuitively, such requirements are better addressed through the manipulation of a renderable environment, which can be explicitly controlled via logical commands (e.g., code). In this work, we propose Code2Video, a code-centric agent framework for generating educational videos via executable Python code. The framework comprises three collaborative agents: (i) Planner, which structures lecture content into temporally coherent flows and prepares corresponding visual assets; (ii) Coder, which converts structured instructions into executable Python codes while incorporating scope-guided auto-fix to enhance efficiency; and (iii) Critic, which leverages vision-language models (VLM) with visual anchor prompts to refine spatial layout and ensure clarity. To support systematic evaluation, we build MMMC, a benchmark of professionally produced, discipline-specific educational videos. We evaluate MMMC across diverse dimensions, including VLM-as-a-Judge aesthetic scores, code efficiency, and particularly, TeachQuiz, a novel end-to-end metric that quantifies how well a VLM, after unlearning, can recover knowledge by watching the generated videos. Our results demonstrate the potential of Code2Video as a scalable, interpretable, and controllable approach, achieving 40% improvement over direct code generation and producing videos comparable to human-crafted tutorials. The code and datasets are available at https://github.com/showlab/Code2Video.

showlab Show Lab
·
Oct 1, 2025 4

MDAgent2: Large Language Model for Code Generation and Knowledge Q&A in Molecular Dynamics

Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-consuming tasks. Although LLMs show promise in code generation and domain-specific question answering, their performance in MD scenarios is limited by scarce domain data, the high deployment cost of state-of-the-art LLMs, and low code executability. Building upon our prior MDAgent, we present MDAgent2, the first end-to-end framework capable of performing both knowledge Q&A and code generation within the MD domain. We construct a domain-specific data-construction pipeline that yields three high-quality datasets spanning MD knowledge, question answering, and code generation. Based on these datasets, we adopt a three stage post-training strategy--continued pre-training (CPT), supervised fine-tuning (SFT), and reinforcement learning (RL)--to train two domain-adapted models, MD-Instruct and MD-Code. Furthermore, we introduce MD-GRPO, a closed-loop RL method that leverages simulation outcomes as reward signals and recycles low-reward trajectories for continual refinement. We further build MDAgent2-RUNTIME, a deployable multi-agent system that integrates code generation, execution, evaluation, and self-correction. Together with MD-EvalBench proposed in this work, the first benchmark for LAMMPS code generation and question answering, our models and system achieve performance surpassing several strong baselines.This work systematically demonstrates the adaptability and generalization capability of large language models in industrial simulation tasks, laying a methodological foundation for automatic code generation in AI for Science and industrial-scale simulations. URL: https://github.com/FredericVAN/PKU_MDAgent2

Towards Accurate Image Coding: Improved Autoregressive Image Generation with Dynamic Vector Quantization

Existing vector quantization (VQ) based autoregressive models follow a two-stage generation paradigm that first learns a codebook to encode images as discrete codes, and then completes generation based on the learned codebook. However, they encode fixed-size image regions into fixed-length codes and ignore their naturally different information densities, which results in insufficiency in important regions and redundancy in unimportant ones, and finally degrades the generation quality and speed. Moreover, the fixed-length coding leads to an unnatural raster-scan autoregressive generation. To address the problem, we propose a novel two-stage framework: (1) Dynamic-Quantization VAE (DQ-VAE) which encodes image regions into variable-length codes based on their information densities for an accurate and compact code representation. (2) DQ-Transformer which thereby generates images autoregressively from coarse-grained (smooth regions with fewer codes) to fine-grained (details regions with more codes) by modeling the position and content of codes in each granularity alternately, through a novel stacked-transformer architecture and shared-content, non-shared position input layers designs. Comprehensive experiments on various generation tasks validate our superiorities in both effectiveness and efficiency. Code will be released at https://github.com/CrossmodalGroup/DynamicVectorQuantization.

  • 4 authors
·
May 19, 2023

ENPIRE: Agentic Robot Policy Self-Improvement in the Real World

Achieving dexterous robotic manipulation in the real world heavily relies on human supervision and algorithm engineering, which becomes a central bottleneck in the pursuit of general physical intelligence. Although emerging coding agents can generate code to automate algorithm search, their successes remain largely confined in digital environments. We conjecture that the missing abstraction to automate robotics research is a repeatable feedback loop for real-world policy improvement: reset the scene, execute a policy, verify the outcome, and refine the next iteration. To bridge this gap, we introduce ENPIRE, a harness framework for coding agents that instantiates this physical feedback routine with four core modules: an Environment module (EN) for automatic reset and verification, a Policy Improvement module (PI) that launches policy refinement, a Rollout module (R) to evaluate policies with one or multiple physical robots operating in parallel, and an Evolution module (E) in which coding agents analyze logs, consult literature, improve training infrastructure and algorithm code to address failure modes. This closed-loop system transforms real-world manipulation learning into a controllable optimization procedure, minimizing human effort while allowing fair ablations across training recipe and agent variants. Powered by ENPIRE, frontier coding agents can autonomously train a policy to achieve a 99% success rate on challenging, dexterous manipulation tasks, such as organizing a pin box, fastening a zip tie, and tool use, a process that further accelerates when we dispatch an agent team on a robot fleet. Our results suggest a practical and scalable path toward deploying coding agents to autonomously advancing robotics in the physical world.

nvidia NVIDIA
·
Jun 17 2

VisualPatchWorld: Code World Models as Latent Structured Representations for Planning

Different research lines use the term world model in different ways, yet they share a common aim: to capture how the world evolves under action in a form that supports perception, simulation, and planning. Two prominent realizations are neural predictors that learn dynamics in continuous vector spaces, and hand-built physics engines that expose explicit state and physical laws. Neural predictors scale from data but leave the form of the dynamics implicit; physics engines are inspectable and editable but difficult to construct at scale. We introduce VisualPatchWorld (VPW), which represents world dynamics as code. VPW first selects a qualitative dynamical form with short active probes, then fits that form's free parameters from recorded state-action traces by minimizing multi-step prediction error. The resulting programs can be rolled forward like a simulator, inspected in source form, and used inside model-predictive control; image-derived scene graphs can supply the live state at replan time. Across comparisons with prior code-based world models, VPW attains 69.0% mean planning success and exceeds the strongest code baseline by 23.5 points. The largest gains arise when choosing the correct qualitative dynamics is essential. Under the same planner, the induced models approach ground-truth engine success on navigation and grasp-rich control; a residual gap remains for contact-rich pushing, and checking a shortlist of promising plans in the engine closes most of that gap. These results establish a practical route toward automatically constructed code world models that are useful for planning. Code is available at https://github.com/HKBU-KnowComp/VisualPatchWorld/.

Disentangling Spatial and Temporal Learning for Efficient Image-to-Video Transfer Learning

Recently, large-scale pre-trained language-image models like CLIP have shown extraordinary capabilities for understanding spatial contents, but naively transferring such models to video recognition still suffers from unsatisfactory temporal modeling capabilities. Existing methods insert tunable structures into or in parallel with the pre-trained model, which either requires back-propagation through the whole pre-trained model and is thus resource-demanding, or is limited by the temporal reasoning capability of the pre-trained structure. In this work, we present DiST, which disentangles the learning of spatial and temporal aspects of videos. Specifically, DiST uses a dual-encoder structure, where a pre-trained foundation model acts as the spatial encoder, and a lightweight network is introduced as the temporal encoder. An integration branch is inserted between the encoders to fuse spatio-temporal information. The disentangled spatial and temporal learning in DiST is highly efficient because it avoids the back-propagation of massive pre-trained parameters. Meanwhile, we empirically show that disentangled learning with an extra network for integration benefits both spatial and temporal understanding. Extensive experiments on five benchmarks show that DiST delivers better performance than existing state-of-the-art methods by convincing gaps. When pre-training on the large-scale Kinetics-710, we achieve 89.7% on Kinetics-400 with a frozen ViT-L model, which verifies the scalability of DiST. Codes and models can be found in https://github.com/alibaba-mmai-research/DiST.

  • 7 authors
·
Sep 14, 2023

An efficient Asymptotic-Preserving scheme for the Boltzmann mixture with disparate mass

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

  • 3 authors
·
Nov 20, 2024

Benchmarking Scientific Understanding and Reasoning for Video Generation using VideoScience-Bench

The next frontier for video generation lies in developing models capable of zero-shot reasoning, where understanding real-world scientific laws is crucial for accurate physical outcome modeling under diverse conditions. However, existing video benchmarks are physical commonsense-based, offering limited insight into video models' scientific reasoning capability. We introduce VideoScience-Bench, a benchmark designed to evaluate undergraduate-level scientific understanding in video models. Each prompt encodes a composite scientific scenario that requires understanding and reasoning across multiple scientific concepts to generate the correct phenomenon. The benchmark comprises 200 carefully curated prompts spanning 14 topics and 103 concepts in physics and chemistry. We conduct expert-annotated evaluations across seven state-of-the-art video models in T2V and I2V settings along five dimensions: Prompt Consistency, Phenomenon Congruency, Correct Dynamism, Immutability, and Spatio-Temporal Continuity. Using a VLM-as-a-Judge to assess video generations, we observe strong correlation with human assessments. To the best of our knowledge, VideoScience-Bench is the first benchmark to evaluate video models not only as generators but also as reasoners, requiring their generations to demonstrate scientific understanding consistent with expected physical and chemical phenomena. Our data and evaluation code are available at: https://github.com/hao-ai-lab/VideoScience{github.com/hao-ai-lab/VideoScience}.

  • 10 authors
·
Dec 2, 2025 2

Beyond Quantity: Trajectory Diversity Scaling for Code Agents

As code large language models (LLMs) evolve into tool-interactive agents via the Model Context Protocol (MCP), their generalization is increasingly limited by low-quality synthetic data and the diminishing returns of quantity scaling. Moreover, quantity-centric scaling exhibits an early bottleneck that underutilizes trajectory data. We propose TDScaling, a Trajectory Diversity Scaling-based data synthesis framework for code agents that scales performance through diversity rather than raw volume. Under a fixed training budget, increasing trajectory diversity yields larger gains than adding more trajectories, improving the performance-cost trade-off for agent training. TDScaling integrates four innovations: (1) a Business Cluster mechanism that captures real-service logical dependencies; (2) a blueprint-driven multi-agent paradigm that enforces trajectory coherence; (3) an adaptive evolution mechanism that steers synthesis toward long-tail scenarios using Domain Entropy, Reasoning Mode Entropy, and Cumulative Action Complexity to prevent mode collapse; and (4) a sandboxed code tool that mitigates catastrophic forgetting of intrinsic coding capabilities. Experiments on general tool-use benchmarks (BFCL, tau^2-Bench) and code agent tasks (RebenchT, CodeCI, BIRD) demonstrate a win-win outcome: TDScaling improves both tool-use generalization and inherent coding proficiency. We plan to release the full codebase and the synthesized dataset (including 30,000+ tool clusters) upon publication.

  • 19 authors
·
Feb 3

Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular systems. However, while classical diffusion sampling usually recovers the training distribution, the corresponding energy-based interpretation of the learned score is often inconsistent with this distribution, even for low-dimensional toy systems. We trace this inconsistency to inaccuracies of the learned score at very small diffusion timesteps, where the model must capture the correct evolution of the data distribution. In this regime, diffusion models fail to satisfy the Fokker--Planck equation, which governs the evolution of the score. We interpret this deviation as one source of the observed inconsistencies and propose an energy-based diffusion model with a Fokker--Planck-derived regularization term to enforce consistency. We demonstrate our approach by sampling and simulating multiple biomolecular systems, including fast-folding proteins, and by introducing a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and achieves improved consistency and efficient sampling. Our code, model weights, and self-contained JAX and PyTorch notebooks are available at https://github.com/noegroup/ScoreMD.

  • 5 authors
·
Jun 20, 2025

Information Theory and Statistical Mechanics Revisited

The statistical mechanics of Gibbs is a juxtaposition of subjective, probabilistic ideas on the one hand and objective, mechanical ideas on the other. In this paper, we follow the path set out by Jaynes, including elements added subsequently to that original work, to explore the consequences of the purely statistical point of view. We show how standard methods in the equilibrium theory could have been derived simply from a description of the available problem information. In addition, our presentation leads to novel insights into questions associated with symmetry and non-equilibrium statistical mechanics. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a quantity related to the thermodynamic entropy production is found by considering information loss in non-equilibrium processes. Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complexity by successively adding information to create progressively more complex descriptions of a physical system. Our result is that such statistical mechanical descriptions can be used to create transparent, computable, experimentally-relevant models that may be informed by more detailed atomistic simulations. We also derive a theory for the kinetic behavior of this system, identifying the nonequilibrium `process' free energy functional. The Gibbs relation for this functional is a fluctuation-dissipation theorem applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient driving forces. Based on this work, it is clear that statistical mechanics is a general tool for constructing the relationships between constraints on system information.

  • 3 authors
·
May 27, 2011

Autoregressive Boltzmann Generators

Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generators (BGs), which allow rapid generation of uncorrelated equilibrium samples by combining a generative model with exact likelihoods and an importance sampling correction. However, modern BGs predominantly rely on normalizing flows (NFs), which either suffer from limited expressivity due to strict invertibility constraints (discrete time) or computationally expensive likelihoods (continuous time). In this paper, we propose Autoregressive Boltzmann Generators (ArBG) -- a novel autoregressive modelling framework -- that overcomes these limitations by departing from the flow-based BG paradigm. ArBG circumvents the topological constraints of flows and enables sequential inference-time interventions, while offering enhanced scalability by leveraging architectures effective in Large Language Models. We empirically demonstrate that ArBG leads to significant improvements over flow-based models across all benchmarks, but particularly in larger peptide systems such as the 10-residue Chignolin. Furthermore, we introduce Robin, a 132 million parameter transferable model trained with the ArBG framework which improves over the previous state-of-the-art, reducing the zero-shot energy error, E-W_2, on 8-residue systems by over 60%. The code can be found at the following link: https://github.com/danyalrehman/autobg.

  • 5 authors
·
Jun 24

Latent Dynamics Graph Convolutional Networks for model order reduction of parameterized time-dependent PDEs

Graph Neural Networks (GNNs) are emerging as powerful tools for nonlinear Model Order Reduction (MOR) of time-dependent parameterized Partial Differential Equations (PDEs). However, existing methodologies struggle to combine geometric inductive biases with interpretable latent behavior, overlooking dynamics-driven features or disregarding spatial information. In this work, we address this gap by introducing Latent Dynamics Graph Convolutional Network (LD-GCN), a purely data-driven, encoder-free architecture that learns a global, low-dimensional representation of dynamical systems conditioned on external inputs and parameters. The temporal evolution is modeled in the latent space and advanced through time-stepping, allowing for time-extrapolation, and the trajectories are consistently decoded onto geometrically parameterized domains using a GNN. Our framework enhances interpretability by enabling the analysis of the reduced dynamics and supporting zero-shot prediction through latent interpolation. The methodology is mathematically validated via a universal approximation theorem for encoder-free architectures, and numerically tested on complex computational mechanics problems involving physical and geometric parameters, including the detection of bifurcating phenomena for Navier-Stokes equations. Code availability: https://github.com/lorenzotomada/ld-gcn-rom

  • 3 authors
·
Jan 15

MapCoder-Lite: Distilling Multi-Agent Coding into a Single Small LLM

Large language models (LLMs) have advanced code generation from single-function tasks to competitive-programming problems, but existing multi-agent solutions either rely on costly large-scale (>30B) models or collapse when downsized to small open-source models. We present MapCoder-Lite, a framework for distilling the complex reasoning of large, multi-agent coding systems into a single 7B model. Our contribution is a novel, three-pillar methodology that synergistically generates, refines, and encodes multi-agent knowledge: (i) pass-based trajectory distillation from strong LLMs fixes format fragility in retrieval and reduces failures in debugging, (ii) supervisor-guided correction with global feedback strengthens planning and coding agents, and (iii) agent-wise LoRA fine-tuning delivers memory-efficient specialisation. Comprehensive evaluation on xCodeEval, APPS, and CodeContests shows that MapCoder-Lite more than doubles xCodeEval accuracy (from 13.2% to 28.3%), eliminates all format failures, while reducing GPU memory and token-generation time by 4x compared to a 32B model. It also achieves over 10% gains on simpler coding benchmarks, demonstrating broad improvements beyond competitive programming. These results demonstrate that careful agent-wise fine-tuning unleashes high-quality multi-agent coding on a small language model. Our code is publicly available at https://github.com/aiha-lab/MapCoder-Lite.

  • 3 authors
·
Sep 22, 2025

DisPose: Disentangling Pose Guidance for Controllable Human Image Animation

Controllable human image animation aims to generate videos from reference images using driving videos. Due to the limited control signals provided by sparse guidance (e.g., skeleton pose), recent works have attempted to introduce additional dense conditions (e.g., depth map) to ensure motion alignment. However, such strict dense guidance impairs the quality of the generated video when the body shape of the reference character differs significantly from that of the driving video. In this paper, we present DisPose to mine more generalizable and effective control signals without additional dense input, which disentangles the sparse skeleton pose in human image animation into motion field guidance and keypoint correspondence. Specifically, we generate a dense motion field from a sparse motion field and the reference image, which provides region-level dense guidance while maintaining the generalization of the sparse pose control. We also extract diffusion features corresponding to pose keypoints from the reference image, and then these point features are transferred to the target pose to provide distinct identity information. To seamlessly integrate into existing models, we propose a plug-and-play hybrid ControlNet that improves the quality and consistency of generated videos while freezing the existing model parameters. Extensive qualitative and quantitative experiments demonstrate the superiority of DisPose compared to current methods. Code: https://github.com/lihxxx/DisPose{https://github.com/lihxxx/DisPose}.

  • 7 authors
·
Dec 12, 2024 2

AgentHazard: A Benchmark for Evaluating Harmful Behavior in Computer-Use Agents

Computer-use agents extend language models from text generation to persistent action over tools, files, and execution environments. Unlike chat systems, they maintain state across interactions and translate intermediate outputs into concrete actions. This creates a distinct safety challenge in that harmful behavior may emerge through sequences of individually plausible steps, including intermediate actions that appear locally acceptable but collectively lead to unauthorized actions. We present AgentHazard, a benchmark for evaluating harmful behavior in computer-use agents. AgentHazard contains 2,653 instances spanning diverse risk categories and attack strategies. Each instance pairs a harmful objective with a sequence of operational steps that are locally legitimate but jointly induce unsafe behavior. The benchmark evaluates whether agents can recognize and interrupt harm arising from accumulated context, repeated tool use, intermediate actions, and dependencies across steps. We evaluate AgentHazard on Claude Code, OpenClaw, and IFlow using mostly open or openly deployable models from the Qwen3, Kimi, GLM, and DeepSeek families. Our experimental results indicate that current systems remain highly vulnerable. In particular, when powered by Qwen3-Coder, Claude Code exhibits an attack success rate of 73.63\%, suggesting that model alignment alone does not reliably guarantee the safety of autonomous agents.

  • 9 authors
·
Apr 2 1

On Kinetic Optimal Probability Paths for Generative Models

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

  • 5 authors
·
Jun 11, 2023

SERA: Soft-Verified Efficient Repository Agents

Open-weight coding agents should hold a fundamental advantage over closed-source systems: they can be specialized to private codebases, encoding repository-specific information directly in their weights. Yet the cost and complexity of training has kept this advantage theoretical. We show it is now practical. We present Soft-Verified Efficient Repository Agents (SERA), an efficient method for training coding agents that enables the rapid and cheap creation of agents specialized to private codebases. Using only supervised finetuning (SFT), SERA achieves state-of-the-art results among fully open-source (open data, method, code) models while matching the performance of frontier open-weight models like Devstral-Small-2. Creating SERA models is 26x cheaper than reinforcement learning and 57x cheaper than previous synthetic data methods to reach equivalent performance. Our method, Soft Verified Generation (SVG), generates thousands of trajectories from a single code repository. Combined with cost-efficiency, this enables specialization to private codebases. Beyond repository specialization, we apply SVG to a larger corpus of codebases, generating over 200,000 synthetic trajectories. We use this dataset to provide detailed analysis of scaling laws, ablations, and confounding factors for training coding agents. Overall, we believe our work will greatly accelerate research on open coding agents and showcase the advantage of open-source models that can specialize to private codebases. We release SERA as the first model in Ai2's Open Coding Agents series, along with all our code, data, and Claude Code integration to support the research community.

ai21labs AI21
·
Jan 28 2

Neural networks behave as hash encoders: An empirical study

The input space of a neural network with ReLU-like activations is partitioned into multiple linear regions, each corresponding to a specific activation pattern of the included ReLU-like activations. We demonstrate that this partition exhibits the following encoding properties across a variety of deep learning models: (1) {\it determinism}: almost every linear region contains at most one training example. We can therefore represent almost every training example by a unique activation pattern, which is parameterized by a {\it neural code}; and (2) {\it categorization}: according to the neural code, simple algorithms, such as K-Means, K-NN, and logistic regression, can achieve fairly good performance on both training and test data. These encoding properties surprisingly suggest that {\it normal neural networks well-trained for classification behave as hash encoders without any extra efforts.} In addition, the encoding properties exhibit variability in different scenarios. {Further experiments demonstrate that {\it model size}, {\it training time}, {\it training sample size}, {\it regularization}, and {\it label noise} contribute in shaping the encoding properties, while the impacts of the first three are dominant.} We then define an {\it activation hash phase chart} to represent the space expanded by {model size}, training time, training sample size, and the encoding properties, which is divided into three canonical regions: {\it under-expressive regime}, {\it critically-expressive regime}, and {\it sufficiently-expressive regime}. The source code package is available at https://github.com/LeavesLei/activation-code.

  • 4 authors
·
Jan 14, 2021

Discovering highly efficient low-weight quantum error-correcting codes with reinforcement learning

The realization of scalable fault-tolerant quantum computing is expected to hinge on quantum error-correcting codes. In the quest for more efficient quantum fault tolerance, a critical code parameter is the weight of measurements that extract information about errors to enable error correction: as higher measurement weights require higher implementation costs and introduce more errors, it is important in code design to optimize measurement weight. This underlies the surging interest in quantum low-density parity-check (qLDPC) codes, the study of which has primarily focused on the asymptotic (large-code-limit) properties. In this work, we introduce a versatile and computationally efficient approach to stabilizer code weight reduction based on reinforcement learning (RL), which produces new low-weight codes that substantially outperform the state of the art in practically relevant parameter regimes, extending significantly beyond previously accessible small distances. For example, our approach demonstrates savings in physical qubit overhead compared to existing results by 1 to 2 orders of magnitude for weight 6 codes and brings the overhead into a feasible range for near-future experiments. We also investigate the interplay between code parameters using our RL framework, offering new insights into the potential efficiency and power of practically viable coding strategies. Overall, our results demonstrate how RL can effectively advance the crucial yet challenging problem of quantum code discovery and thereby facilitate a faster path to the practical implementation of fault-tolerant quantum technologies.

  • 2 authors
·
Feb 20, 2025 4

123D: Unifying Multi-Modal Autonomous Driving Data at Scale

The pursuit of autonomous driving has produced one of the richest sensor data collections in all of robotics. However, its scale and diversity remain largely untapped. Each dataset adopts different 2D and 3D modalities, such as cameras, lidar, ego states, annotations, traffic lights, and HD maps, with different rates and synchronization schemes. They come in fragmented formats requiring complex dependencies that cannot natively coexist in the same development environment. Further, major inconsistencies in annotation conventions prevent training or measuring generalization across multiple datasets. We present 123D, an open-source framework that unifies such multi-modal driving data through a single API. To handle synchronization, we store each modality as an independent timestamped event stream with no prescribed rate, enabling synchronous or asynchronous access across arbitrary datasets. Using 123D, we consolidate eight real-world driving datasets spanning 3,300 hours and 90,000 kilometers, together with a synthetic dataset with configurable collection scripts, and provide tools for data analysis and visualization. We conduct a systematic study comparing annotation statistics and assessing each dataset's pose and calibration accuracy. Further, we showcase two applications 123D enables: cross-dataset 3D object detection transfer and reinforcement learning for planning, and offer recommendations for future directions. Code and documentation are available at https://github.com/kesai-labs/py123d.

kesai-labs KE:SAI
·
May 7

CodeS: Towards Building Open-source Language Models for Text-to-SQL

Language models have shown promising performance on the task of translating natural language questions into SQL queries (Text-to-SQL). However, most of the state-of-the-art (SOTA) approaches rely on powerful yet closed-source large language models (LLMs), such as ChatGPT and GPT-4, which may have the limitations of unclear model architectures, data privacy risks, and expensive inference overheads. To address the limitations, we introduce CodeS, a series of pre-trained language models with parameters ranging from 1B to 15B, specifically designed for the text-to-SQL task. CodeS is a fully open-source language model, which achieves superior accuracy with much smaller parameter sizes. This paper studies the research challenges in building CodeS. To enhance the SQL generation abilities of CodeS, we adopt an incremental pre-training approach using a specifically curated SQL-centric corpus. Based on this, we address the challenges of schema linking and rapid domain adaptation through strategic prompt construction and a bi-directional data augmentation technique. We conduct comprehensive evaluations on multiple datasets, including the widely used Spider benchmark, the newly released BIRD benchmark, robustness-diagnostic benchmarks such as Spider-DK, Spider-Syn, Spider-Realistic, and Dr.Spider, as well as two real-world datasets created for financial and academic applications. The experimental results show that our CodeS achieves new SOTA accuracy and robustness on nearly all challenging text-to-SQL benchmarks.

  • 10 authors
·
Feb 26, 2024

Granite Code Models: A Family of Open Foundation Models for Code Intelligence

Large Language Models (LLMs) trained on code are revolutionizing the software development process. Increasingly, code LLMs are being integrated into software development environments to improve the productivity of human programmers, and LLM-based agents are beginning to show promise for handling complex tasks autonomously. Realizing the full potential of code LLMs requires a wide range of capabilities, including code generation, fixing bugs, explaining and documenting code, maintaining repositories, and more. In this work, we introduce the Granite series of decoder-only code models for code generative tasks, trained with code written in 116 programming languages. The Granite Code models family consists of models ranging in size from 3 to 34 billion parameters, suitable for applications ranging from complex application modernization tasks to on-device memory-constrained use cases. Evaluation on a comprehensive set of tasks demonstrates that Granite Code models consistently reaches state-of-the-art performance among available open-source code LLMs. The Granite Code model family was optimized for enterprise software development workflows and performs well across a range of coding tasks (e.g. code generation, fixing and explanation), making it a versatile all around code model. We release all our Granite Code models under an Apache 2.0 license for both research and commercial use.

  • 46 authors
·
May 7, 2024 1

OpenCoder: The Open Cookbook for Top-Tier Code Large Language Models

Large language models (LLMs) for code have become indispensable in various domains, including code generation, reasoning tasks and agent systems.While open-access code LLMs are increasingly approaching the performance levels of proprietary models, high-quality code LLMs suitable for rigorous scientific investigation, particularly those with reproducible data processing pipelines and transparent training protocols, remain limited. The scarcity is due to various challenges, including resource constraints, ethical considerations, and the competitive advantages of keeping models advanced. To address the gap, we introduce OpenCoder, a top-tier code LLM that not only achieves performance comparable to leading models but also serves as an ``open cookbook'' for the research community. Unlike most prior efforts, we release not only model weights and inference code, but also the reproducible training data, complete data processing pipeline, rigorous experimental ablation results, and detailed training protocols for open scientific research. Through this comprehensive release, we identify the key ingredients for building a top-tier code LLM: (1) code optimized heuristic rules for data cleaning and methods for data deduplication, (2) recall of text corpus related to code and (3) high-quality synthetic data in both annealing and supervised fine-tuning stages. By offering this level of openness, we aim to broaden access to all aspects of a top-tier code LLM, with OpenCoder serving as both a powerful model and an open foundation to accelerate research, and enable reproducible advancements in code AI.

  • 19 authors
·
Nov 7, 2024 6

KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) holds the promise to compute ground state molecular properties at minimal cost. However, it has been held back by our inability to compute the kinetic energy as a functional of the electron density only. We here set out to learn the kinetic energy functional from ground truth provided by the more expensive Kohn-Sham density functional theory. Such learning is confronted with two key challenges: Giving the model sufficient expressivity and spatial context while limiting the memory footprint to afford computations on a GPU; and creating a sufficiently broad distribution of training data to enable iterative density optimization even when starting from a poor initial guess. In response, we introduce KineticNet, an equivariant deep neural network architecture based on point convolutions adapted to the prediction of quantities on molecular quadrature grids. Important contributions include convolution filters with sufficient spatial resolution in the vicinity of the nuclear cusp, an atom-centric sparse but expressive architecture that relays information across multiple bond lengths; and a new strategy to generate varied training data by finding ground state densities in the face of perturbations by a random external potential. KineticNet achieves, for the first time, chemical accuracy of the learned functionals across input densities and geometries of tiny molecules. For two electron systems, we additionally demonstrate OF-DFT density optimization with chemical accuracy.

  • 5 authors
·
May 8, 2023

WaveCoder: Widespread And Versatile Enhanced Instruction Tuning with Refined Data Generation

Recent work demonstrates that, after being fine-tuned on a high-quality instruction dataset, the resulting model can obtain impressive capabilities to address a wide range of tasks. However, existing methods for instruction data generation often produce duplicate data and are not controllable enough on data quality. In this paper, we extend the generalization of instruction tuning by classifying the instruction data to 4 code-related tasks and propose a LLM-based Generator-Discriminator data process framework to generate diverse, high-quality instruction data from open source code. Hence, we introduce CodeOcean, a dataset comprising 20,000 instruction instances across 4 universal code-related tasks,which is aimed at augmenting the effectiveness of instruction tuning and improving the generalization ability of fine-tuned model. Subsequently, we present WaveCoder, a fine-tuned Code LLM with Widespread And Versatile Enhanced instruction tuning. This model is specifically designed for enhancing instruction tuning of Code Language Models (LLMs). Our experiments demonstrate that Wavecoder models outperform other open-source models in terms of generalization ability across different code-related tasks at the same level of fine-tuning scale. Moreover, Wavecoder exhibits high efficiency in previous code generation tasks. This paper thus offers a significant contribution to the field of instruction data generation and fine-tuning models, providing new insights and tools for enhancing performance in code-related tasks.

  • 8 authors
·
Dec 20, 2023 5

A Third-Order Gaussian Process Trajectory Representation Framework with Closed-Form Kinematics for Continuous-Time Motion Estimation

In this paper, we propose a third-order, i.e., white-noise-on-jerk, Gaussian Process (GP) Trajectory Representation (TR) framework for continuous-time (CT) motion estimation (ME) tasks. Our framework features a unified trajectory representation that encapsulates the kinematic models of both SO(3)timesR^3 and SE(3) pose representations. This encapsulation strategy allows users to use the same implementation of measurement-based factors for either choice of pose representation, which facilitates experimentation and comparison to achieve the best model for the ME task. In addition, unique to our framework, we derive the kinematic models with the closed-form temporal derivatives of the local variable of SO(3) and SE(3), which so far has only been approximated based on the Taylor expansion in the literature. Our experiments show that these kinematic models can improve the estimation accuracy in high-speed scenarios. All analytical Jacobians of the interpolated states with respect to the support states of the trajectory representation, as well as the motion prior factors, are also provided for accelerated Gauss-Newton (GN) optimization. Our experiments demonstrate the efficacy and efficiency of the framework in various motion estimation tasks such as localization, calibration, and odometry, facilitating fast prototyping for ME researchers. We release the source code for the benefit of the community. Our project is available at https://github.com/brytsknguyen/gptr.

  • 8 authors
·
Oct 30, 2024

Quantizing Large Language Models for Code Generation: A Differentiated Replication

Large Language Models (LLMs) have shown an impressive capability in code generation and, specifically, to automatically implement requirements described in natural language. The LLM effectiveness generally increases with its size: The higher the number of LLM's trainable parameters the better its ability to implement code. However, when it comes to deploying LLM-based code generators, larger LLMs pose significant challenges related to their memory (and, consequently, carbon) footprint. A previous work by Wei et al. proposed to leverage quantization techniques to reduce the memory footprint of LLM-based code generators without substantially degrading their effectiveness. In short, they studied LLMs featuring up to 16B parameters, quantizing their precision from floating point 32 bits down to int 8 bits and showing their limited impact on code generation performance. Given the fast pace at which LLM capabilities and quantization techniques are evolving, in this work we present a differentiated replication of the work by Wei et al. in which we consider (i) on the one side, more recent and larger code-related LLMs, of up to 34B parameters; (ii) the latest advancements in model quantization techniques, which allow pushing the compression to the extreme quantization level of 2 bits per model parameter and; (iii) different types of calibration datasets to guide the quantization process, including code-specific ones. Our empirical evaluation reveals that the new frontier for LLM quantization is 4-bit precision, resulting in an average memory footprint reduction of 70% compared to the original model without observing any significant decrease in performance. Additionally, when the quantization becomes even more extreme (3 and 2 bits), a code-specific calibration dataset helps to limit the loss of performance.

  • 5 authors
·
Mar 10, 2025 2

TM2D: Bimodality Driven 3D Dance Generation via Music-Text Integration

We propose a novel task for generating 3D dance movements that simultaneously incorporate both text and music modalities. Unlike existing works that generate dance movements using a single modality such as music, our goal is to produce richer dance movements guided by the instructive information provided by the text. However, the lack of paired motion data with both music and text modalities limits the ability to generate dance movements that integrate both. To alleviate this challenge, we propose to utilize a 3D human motion VQ-VAE to project the motions of the two datasets into a latent space consisting of quantized vectors, which effectively mix the motion tokens from the two datasets with different distributions for training. Additionally, we propose a cross-modal transformer to integrate text instructions into motion generation architecture for generating 3D dance movements without degrading the performance of music-conditioned dance generation. To better evaluate the quality of the generated motion, we introduce two novel metrics, namely Motion Prediction Distance (MPD) and Freezing Score, to measure the coherence and freezing percentage of the generated motion. Extensive experiments show that our approach can generate realistic and coherent dance movements conditioned on both text and music while maintaining comparable performance with the two single modalities. Code will be available at: https://garfield-kh.github.io/TM2D/.

  • 7 authors
·
Apr 5, 2023

Learning dynamic representations of the functional connectome in neurobiological networks

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

  • 5 authors
·
Feb 21, 2024

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

SafeMo: Linguistically Grounded Unlearning for Trustworthy Text-to-Motion Generation

Text-to-motion (T2M) generation with diffusion backbones achieves strong realism and alignment. Safety concerns in T2M methods have been raised in recent years; existing methods replace discrete VQ-VAE codebook entries to steer the model away from unsafe behaviors. However, discrete codebook replacement-based methods have two critical flaws: firstly, replacing codebook entries which are reused by benign prompts leads to drifts on everyday tasks, degrading the model's benign performance; secondly, discrete token-based methods introduce quantization and smoothness loss, resulting in artifacts and jerky transitions. Moreover, existing text-to-motion datasets naturally contain unsafe intents and corresponding motions, making them unsuitable for safety-driven machine learning. To address these challenges, we propose SafeMo, a trustworthy motion generative framework integrating Minimal Motion Unlearning (MMU), a two-stage machine unlearning strategy, enabling safe human motion generation in continuous space, preserving continuous kinematics without codebook loss and delivering strong safety-utility trade-offs compared to current baselines. Additionally, we present the first safe text-to-motion dataset SafeMoVAE-29K integrating rewritten safe text prompts and continuous refined motion for trustworthy human motion unlearning. Built upon DiP, SafeMo efficiently generates safe human motions with natural transitions. Experiments demonstrate effective unlearning performance of SafeMo by showing strengthened forgetting on unsafe prompts, reaching 2.5x and 14.4x higher forget-set FID on HumanML3D and Motion-X respectively, compared to the previous SOTA human motion unlearning method LCR, with benign performance on safe prompts being better or comparable. Code: https://github.com/AIGeeksGroup/SafeMo. Website: https://aigeeksgroup.github.io/SafeMo.

  • 4 authors
·
Jan 2

UniXcoder: Unified Cross-Modal Pre-training for Code Representation

Pre-trained models for programming languages have recently demonstrated great success on code intelligence. To support both code-related understanding and generation tasks, recent works attempt to pre-train unified encoder-decoder models. However, such encoder-decoder framework is sub-optimal for auto-regressive tasks, especially code completion that requires a decoder-only manner for efficient inference. In this paper, we present UniXcoder, a unified cross-modal pre-trained model for programming language. The model utilizes mask attention matrices with prefix adapters to control the behavior of the model and leverages cross-modal contents like AST and code comment to enhance code representation. To encode AST that is represented as a tree in parallel, we propose a one-to-one mapping method to transform AST in a sequence structure that retains all structural information from the tree. Furthermore, we propose to utilize multi-modal contents to learn representation of code fragment with contrastive learning, and then align representations among programming languages using a cross-modal generation task. We evaluate UniXcoder on five code-related tasks over nine datasets. To further evaluate the performance of code fragment representation, we also construct a dataset for a new task, called zero-shot code-to-code search. Results show that our model achieves state-of-the-art performance on most tasks and analysis reveals that comment and AST can both enhance UniXcoder.

  • 6 authors
·
Mar 7, 2022