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Linfeng Zhang

Publications and source records attributed to Linfeng Zhang.

At least 37 records · Page 2Linked to original sources

MolParser-Mobile: Ultrafast OCSR System for Large-Scale Chemical Literature Mining

Optical Chemical Structure Recognition (OCSR) is a fundamental component of chemical literature mining, enabling molecular database construction, reaction extraction, and AI-driven scientific discovery. Despite substantial progress in recognition accuracy with recent deep learning-based methods, inference throughput remains a critical bottleneck that limits web-scale deployment. To address this challenge, we propose MolParser-Mobile, an AutoML-optimized lightweight end-to-end OCSR framework. MolParser-Mobile contains only 9.98M parameters, while reaching a throughput of 1,520 molecules per second on a single NVIDIA RTX 4090D GPU. Despite its compact design, it maintains competitive and, on several benchmarks, superior recognition accuracy.

cs.CV↗

Accelerating Diffusion Transformers with Gaussian Process Rectified Feature Cache

Diffusion Transformers have become the dominant paradigm in generative AI, but their high computational costs severely hinder real-time applications. Prediction-based feature caching is widely used to accelerate diffusion transformers; however, as the number of steps increases, the deviation between its predictions and the reference full-compute trajectory gradually grows. An intuitive idea is to use an online regression model to dynamically correct this deviation, but it faces the issue of label data being unavailable during the acceleration process. This paper presents a statistical observation that the residuals between the features of full computation steps using caching methods and reference full-compute trajectory locally exhibit a zero-mean Gaussian distribution. By treating the features of full computation steps as noisy observations of reference features, the data acquisition problem is resolved. Based on this observation, a plug-and-play GP-Refiner correction framework is proposed. This method utilizes Gaussian Process Regression for correction and, leveraging the properties of GPR, introduces an uncertainty-adaptive computation strategy that triggers necessary full-computation calibration by monitoring the posterior variance in real time. Experiments demonstrate significant improvements across different models when combined with various state-of-the-art methods. Integrating the proposed framework with TaylorSeer reduces the computational load by 19.3% while improving PSNR by 0.9 dB and reducing LPIPS from 0.46 to 0.29. Code is available in https://github.com/Aredstone/GP-Refiner.

cs.CV↗

AudioKV: KV Cache Eviction in Efficient Large Audio Language Models

Large Audio-Language Models (LALMs) have set new benchmarks in speech processing, yet their deployment is hindered by the memory footprint of the Key-Value (KV) cache during long-context inference. While general KV cache compression techniques excel in LLMs, they often fail in the audio domain by overlooking the intrinsic temporal continuity of acoustic signals. To bridge this gap, we propose AudioKV, a novel framework that robustly prioritizes audio-critical attention heads through a hardware-friendly semantic-acoustic alignment mechanism. Specifically, we identify these modality-specialized heads by analyzing attention scores in ASR tasks and dynamically allocate KV cache budgets preferentially to them. Furthermore, we introduce Spectral Score Smoothing (SSS), an FFT-based global filtering strategy designed to suppress high-frequency noise and recover smooth global trends from importance scores, ensuring more balanced token selection with unprecedented precision. Extensive evaluations across multiple LALMs, including Qwen and Gemma series, demonstrate that AudioKV significantly outperforms baselines while enhancing computational efficiency. Notably, at a 40% compression ratio, AudioKV maintains near-full accuracy on Qwen3-Omni-30B with only a 0.45% drop, whereas traditional methods suffer from catastrophic performance degradation and repetition. Our code will be released after acceptance.

cs.SD↗

SpecXMaster Technical Report

Intelligent spectroscopy serves as a pivotal element in AI-driven closed-loop scientific discovery, functioning as the critical bridge between matter structure and artificial intelligence. However, conventional expert-dependent spectral interpretation encounters substantial hurdles, including susceptibility to human bias and error, dependence on limited specialized expertise, and variability across interpreters. To address these challenges, we propose SpecXMaster, an intelligent framework leveraging Agentic Reinforcement Learning (RL) for NMR molecular spectral interpretation. SpecXMaster enables automated extraction of multiplicity information from both 1H and 13C spectra directly from raw FID (free induction decay) data. This end-to-end pipeline enables fully automated interpretation of NMR spectra into chemical structures. It demonstrates superior performance across multiple public NMR interpretation benchmarks and has been refined through iterative evaluations by professional chemical spectroscopists. We believe that SpecXMaster, as a novel methodological paradigm for spectral interpretation, will have a profound impact on the organic chemistry community.

cs.LG↗

iCoder-27B: Recursive AI-Led Development of Frontier Industrial Coding Model

Recursive AI, the prospect of AI taking an increasingly complete role in building and improving AI, is a crown jewel of AI for AI. Although recursive self-development has become practical for small models, bounded tasks, and fixed time budgets, a more consequential realization of this ambition, i.e., developing a release-ready, frontier-competitive model, remains far more challenging. In this work, we ask how little human involvement is sufficient for an agent to develop a frontier model. We concentrate human input into a high-density, low-frequency interface: experts encode objectives, stage scaffolds, permission boundaries, and operating procedures as reusable research skills, while the agent instantiates these priors, selects experiments, diagnoses outcomes, and revises the training strategy. In the challenging domain of industrial coding, the agent evolves data and coordinates SFT, on-policy self-distillation, and reinforcement learning with verifiable rewards, ultimately producing iCoder, a 27B model for RTL design and GPU kernel optimization. Across seven benchmarks, iCoder leads RTLLM, outperforming GPT-5.5 and Claude-Opus-4.8; ranks second on CVDP and KernelBench L2, exceeding GPT-5.5 by 16 points; and ties Claude-Opus-4.8 for the best TritonBench result. Exploratory case studies further show iCoder's competitive iterative RTL and GPU-kernel optimization with substantially fewer tokens. These results chart an engineering path toward recursive self-improvement, in which humans distill the principles of model building, agents operationalize them through evidence-driven experimentation, and each generation of AI becomes a more capable architect of the next.

cs.AI↗

DPA4: Pushing the Accuracy-Cost Frontier of Interatomic Potentials with EMFA SO(2) Convolution

Machine-learning interatomic potentials now approach quantum-mechanical accuracy, but the most expressive equivariant architectures are costly to evaluate, and the leading ones depend on auxiliary denoising or direct-force pretraining. We introduce DPA4, an SE(3)-equivariant architecture spanning six size classes from 0.48 to 25 million parameters and reaching the accuracy of the strongest published models at several-fold to an order-of-magnitude higher inference throughput. Its convolution couples edge and node features across all angular degrees in an edge-local frame, and its Wigner bilinear nonlinearity is universal in its full form and, on an exact quadrature grid, equivariant to machine precision. On Matbench Discovery, DPA4 leads every ranked metric, and every variant evaluated lies on the accuracy--throughput Pareto frontier of the compliant leaderboard. DPA4-Pro attains the lowest energy error on OMat24 and lower total-energy and force errors than the strongest conservative baseline on the OMol25 composition-validation split. All variants are trained through the conservative energy-gradient path alone, made practical by a threefold-faster compiled implementation. DPA4 thus brings leaderboard-class accuracy within the routine compute budgets of molecular-dynamics and materials-screening workflows, for both inorganic crystals and organic molecules.

physics.chem-ph↗

Universal Machine-learning Molecular Dynamics at the Speed of Empirical Potentials

No interatomic potential has offered universality across chemistry, near-first-principles accuracy and the speed of empirical potentials at once. Here we introduce DPA4C, an equivariant potential whose architecture and compressed CUDA operators are co-designed under deployment constraints to pursue accuracy and efficiency together. Five variants spanning a 49-fold parameter range form the high-throughput end of the measured accuracy--throughput frontier. The largest variant approaches the accuracy of the MACE-Omat models at about two orders of magnitude higher measured throughput. The most compact reduces the energy, force and stress errors of the fastest existing universal MLIP by 61.4%, 48.1% and 34.3% at 1.92 times its saturated throughput. All five variants complete multimillion-atom simulations on a single GPU and run molecular dynamics for 2.048 billion atoms on 1,024 16-GB NVIDIA V100 GPUs at 83.3--91.2% weak-scaling efficiency. Compared with the MEAM empirical potential, DPA4C-Nano reaches 1.8 and 2.5 times the saturated throughput in single-GPU scans on the same V100 hardware for diamond carbon and FCC copper, respectively. DPA4C therefore brings quantum-trained universal accuracy into a regime of speed and system size previously associated with empirical potentials.

physics.chem-ph↗

LinCa: Accelerating Diffusion Models via Learnable Decomposed Feature Caching

Diffusion models have achieved remarkable success in image and video generation, yet the high computational cost of iterative sampling remains a critical bottleneck for practical deployment. Feature caching has emerged as a promising acceleration paradigm by reusing or predicting intermediate features across timesteps. However, existing training-free methods apply uniform prediction strategies that cannot adapt to the heterogeneous feature dynamics, causing significant quality degradation under high acceleration ratios. We propose LinCa, a feature caching framework based on learnable invertible networks. LinCa decomposes cached features into sub-components with distinct continuity properties via a lightweight invertible network and applies differentiated prediction orders matched to each component. The strict invertibility guarantees lossless reconstruction back to the original feature space, forming a unified Decompose-Predict-Reconstruct pipeline. By training separate predictors for different models and timestep segments, LinCa adapts to heterogeneous feature dynamics. Experiments on FLUX, Qwen-Image, and HunyuanVideo demonstrate that LinCa, with less than 0.2% additional parameters, significantly outperforms existing methods and maintains near-lossless quality at 5-7x speedup. Code: https://github.com/QHR69/LinCa

cs.CV↗

AViTS: Adaptive Spatiotemporal Token Selection for Efficient Dynamic-Resolution Generation

Diffusion Transformers (DiTs) achieve high-quality generation but are costly due to iterative sampling. Dynamic-resolution sampling reduces early-stage cost by denoising at low resolution; however, uniformly upsampling all latent tokens at resolution transitions incurs redundant computation and may degrade fine-detail consistency. Existing partial upsampling strategies typically rely on local latent structure cues or single-step statistics, making it difficult to jointly capture token-text semantic relevance and token-wise representation dynamics across diffusion steps. We propose AViTS, an adaptive spatiotemporal token selection framework for dynamic-resolution DiTs. AViTS models spatial importance via latent-text attention and temporal importance via token-level feature variation across diffusion timesteps, and fuses them to enable spatiotemporal importance-aware selective upsampling: it prioritizes resolution refinement for critical tokens while deferring less important ones, thereby reducing redundant high-resolution computation and improving the quality-efficiency trade-off. AViTS achieves up to 6.34x on FLUX and nearly 9x FLOPs reduction on Qwen-Image-Edit and FLUX.1-Kontext-dev, orthogonal to distillation, quantization, and feature caching, and reaching 14.76x with distilled models. Code: https://github.com/QHR69/AViTS

cs.CV↗

Unlocking the Potential of Image Editing via Concept Scaling and Dense Supervision

Existing image editing frameworks predominantly follow the training paradigm of text-to-image diffusion models. However, extending this paradigm to image editing highlights two inherent discrepancies, specifically, the insufficient attention to edit concept granularity and the training inefficiency caused by sparse supervision signals. To address these issues, we establish a comprehensive hierarchical taxonomy featuring over 1,000 fine-grained edit concepts and build ConceptEdit-12M, a massive dataset of 12 million high-quality editing pairs via an improved synthesis framework. This library-driven approach effectively rectifies the distribution collapse of generated data while ensuring high data fidelity. Furthermore, we propose a dense supervision training strategy that synthesizes multiple non-interfering concepts into single image pairs. By providing richer learning signals, this strategy significantly enhances both training efficiency and overall model performance. Training results validate our strategy, significantly outperforming prior works. Finally, we present ConceptEdit-Bench, a granular evaluation suite designed to diagnose model capabilities across a vast array of real-world scenarios.

cs.CV↗

Mixture of experts architectures for machine learning interatomic potentials

Machine Learning Interatomic Potentials (MLIPs) enable accurate large-scale atomistic simulations, yet improving their expressive capacity efficiently remains challenging. Here we systematically investigate Mixture-of-Experts (MoE) and Mixture-of-Linear-Experts (MoLE) architectures within the DPA3 framework for MLIPs and analyze the effects of routing strategies and expert designs. We show that sparse activation combined with shared experts yields substantial performance gains, and that nonlinear MoE formulations outperform MoLE when shared experts are present, underscoring the importance of nonlinear expert specialization. Furthermore, element-wise routing consistently surpasses configuration-level routing, while global MoE routing often leads to numerical instability. The resulting element-wise MoE model consistently outperforms all DPA3-based baselines across the OMol25, OMat24, and OC20M benchmarks. Analysis of routing patterns reveals chemically interpretable expert specialization aligned with periodic-table trends, indicating that the model effectively captures element-specific chemical characteristics for precise interatomic modeling.

physics.chem-ph↗

Rethinking Token-wise Feature Caching: Accelerating Diffusion Transformers with Dual Feature Caching

Diffusion Transformers (DiT) have become the dominant methods in image and video generation yet still suffer substantial computational costs. As an effective approach for DiT acceleration, feature caching methods are designed to cache the features of DiT in previous timesteps and reuse them in the next timesteps, allowing us to skip the computation in the next timesteps. Among them, token-wise feature caching has been introduced to perform different caching ratios for different tokens in DiTs, aiming to skip the computation for unimportant tokens while still computing the important ones. In this paper, we propose to carefully check the effectiveness in token-wise feature caching with the following two questions: (1) Is it really necessary to compute the so-called "important" tokens in each step? (2) Are so-called important tokens really important? Surprisingly, this paper gives some counter-intuition answers, demonstrating that consistently computing the selected ``important tokens'' in all steps is not necessary. The selection of the so-called ``important tokens'' is often ineffective, and even sometimes shows inferior performance than random selection. Based on these observations, this paper introduces dual feature caching referred to as DuCa, which performs aggressive caching strategy and conservative caching strategy iteratively and selects the tokens for computing randomly. Extensive experimental results demonstrate the effectiveness of our method in DiT, PixArt, FLUX, and OpenSora, demonstrating significant improvements than the previous token-wise feature caching.

cs.LG↗

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

Advances in LLM reasoning and tool use have enabled agentic science, yet frontier theoretical and computational physics remains challenging because research requires deep domain expertise, long-horizon reasoning, and reliable numerical computation. We introduce PRL-Bench, a research-reproduction benchmark adapted from 100 Physical Review Letters papers across major areas of modern physics. PRL-Bench distills realistic research workflows into traceable tasks with explicit intermediate artifacts and diverse evaluation rubrics; each task is estimated by domain experts to require more than six hours for a specialized PhD student to reproduce independently. Evaluations show that existing agents remain unreliable on extended research workflows. We therefore present PhysMaster, a scientific agent combining adaptive MCTS-based multi-trajectory exploration with hierarchical memory to improve long-horizon robustness and knowledge accumulation. PhysMaster achieves the highest overall PRL-Bench score of 51.08, outperforming Codex, OpenHands, OpenClaw, and ReAct, and yields relative improvements of 14.13 percent to 93.38 percent across backbone models. Error analysis shows that PhysMaster substantially reduces failures from incomplete long-horizon execution, while remaining bottlenecks lie in physics knowledge and analytical reasoning. Together, PRL-Bench and PhysMaster provide a rigorous benchmark and effective system for advancing autonomous AI research in frontier physics.

cs.AI↗

Where and How to Prune: An Empirical Study of Visual Token Pruning for GUI Agent Navigation

In recent years, GUI agents have demonstrated strong potential in navigation tasks. However, preserving complete historical screenshots introduces substantial computational overhead. This paper investigates how token pruning, a plug-and-play inference acceleration technique, can be effectively applied to GUI agent navigation scenarios. Firstly, we address the question of where pruning should occur. We identify a system-level redundancy overlooked by existing methods: as the same screenshot is repeatedly fed into the model across different steps, its ViT encoding is redundantly recomputed each time. We show that its ViT-encoded embeddings can be fully cached and reused across steps, substantially reducing FLOPs while preserving model performance. This finding suggests that inference acceleration efforts should focus on the subsequent Large Language Model (LLM). Building on this, we further address the question of how to prune within the LLM, and distill two key insights: (i) from a semantic perspective, the token budget should be balanced between foreground and background regions; (ii) from a spatial perspective, the spatial uniformity of retained tokens should be maintained to preserve the model's global spatial perception. These findings provide practical guidance for the design of inference acceleration and token pruning for GUI agent navigation.

cs.CV↗

ToolVision: Learning When and How to Use Visual Tools with Capability-Aligned Supervision

Thinking with images allows a multimodal model to compensate for limited perception by invoking visual tools through code. Yet the prevailing SFT-then-RL recipe creates a different supervision misalignment at each stage. SFT is expected to teach how to use tools, but trajectories from stronger teachers may succeed through perceptual capabilities that a smaller student cannot reliably reproduce or exploit, causing the student to imitate tool-call patterns without learning how to make them useful. RL is expected to teach when to use tools, but outcome-only rewards make fallible tool execution a liability and suppress tool use, whereas a blanket bonus for every correct tool-using trajectory encourages valid but ineffective operations. To address these two misalignments, we introduce ToolVision. During SFT, a multi-agent pipeline explores candidate trajectories, and a committee including student-scale models scores stepwise evidence gain to rank and prune the search branches. Only successfully executed trajectories with correct final answers are retained for SFT. Before RL, ToolVision compares the learner's performance with and without tools, then rewards successful tool use only on questions where tools provide a clear benefit. Both signals are constructed automatically from public task data without additional human annotations of tool use or necessity. ToolVision-8B improves over its base on all seven main benchmarks, surpasses Thyme-7B, CodeVision-8B, and CodeDance-7B on all three high-resolution benchmarks, and outperforms Qwen3-VL-32B-Thinking on V* and HRBench 8K. We will publicly release the datasets and source code.

cs.CV↗

Look Ahead Before You Distill: Future Trajectory Validation of Teacher Guidance for Agentic On-Policy Distillation

On-policy distillation (OPD) provides teacher supervision on states visited by the student, reducing the distribution gap between training and inference. However, in multi-turn agentic tasks, student deviations may accumulate over time, gradually moving the trajectory away from states where teacher guidance remains effective. Our quantitative analysis further shows that high-disagreement states offer promising opportunities for teacher guidance, but determining whether such guidance is beneficial requires examining its effect on subsequent student trajectories. We propose FutureBridge-OPD (FTB), which executes a short teacher bridge at a high disagreement state and uses the resulting student continuation to assess whether the bridge increases the density of positive distillation signals relative to the teacher. On ALFWorld, WebShop, and ScienceWorld, under the main Qwen3-32B teacher to Qwen3-1.7B student setting, FTB outperforms vanilla OPD and TCOD by an average of 16.6 and 7.6 points, respectively, and remains effective across student scales and teacher settings. Our code is publicly available at https://github.com/ChenChiShui/FutureBridge-OPD.

cs.CL↗

STEP-OPD: Rethinking Output Targets and Internal Dynamics in On-Policy Distillation for Diffusion Models

On-policy distillation (OPD) has become an effective approach for consolidating multiple task-specialized image generation models into a single student. However, existing OPD methods optimize the student mainly to match the teacher's output velocity, making the teacher the upper limit of the optimization objective. While output-level supervision alone leaves the student's blockwise representation evolution underconstrained, which weakens the transfer of capabilities that must be progressively developed across layers. We propose STEP-OPD, an on-policy distillation framework for image generation that extends the student's learning target beyond the teacher and introduces explicit constraints on its internal representation evolution. Instead of treating the teacher as the final target, we use the velocity difference between each task-specific teacher and the shared base model as a direction for further learning and add a scaled version of this difference to the teacher velocity. In addition, we align the direction and magnitude of representation changes between the student and teacher, enabling the student to learn how representations are progressively transformed across network blocks. Experiments on compositional alignment, text rendering, and human preference show that our method consistently improves Standard OPD methods. In particular, it increases the GenEval score of DiffusionOPD from 0.927 to 0.961, while also improving OCR and all preference-based metrics. The resulting unified student surpasses the corresponding single-task teachers across all three capability groups, showing that output extrapolation enables beyond-teacher learning. And representation change alignment provides complementary guidance for the student's internal transformations.

cs.CV↗

EgoGenesis: Egocentric World-Action Modeling with Online Anchored Projective Memory and Action-3D RoPE

Egocentric video offers rich manipulation experience for embodied AI, yet collecting diverse egocentric data across scenes, objects, motions, and embodiments remains costly. We present \method, an egocentric world-action simulator that synthesizes controllable, high-quality manipulation videos to expand scarce real-world training data. \method{} builds on a pretrained video generation prior and introduces two geometry-aware conditioning mechanisms. Online Anchored Projective Memory (OAPM) preserves a first-frame 3D scene anchor while periodically refreshing a recent state during autoregressive generation. Action-3D Rotary Position Embedding (A3D-RoPE) encodes end-effector motion with camera-aware 3D rotary coordinates, injecting action geometry into skeleton-to-video cross-attention for precise control. Together, these components improve visual fidelity, geometric stability, and action alignment in long egocentric rollouts. Moreover, augmenting 400 real trajectories with 400 \method-generated trajectories improves out-of-distribution real-robot success from 77\% to 84\% on single-arm tasks and from 53\% to 70\% on dual-arm tasks, demonstrating that the synthesized data substantially improve downstream WAM generalization.

cs.CV↗