arXiv subjects

Zun Wang

Publications and source records attributed to Zun Wang.

At least 37 records · Page 2Linked to original sources

arXiv2026

OS-Themis: A Scalable Critic Framework for Generalist GUI Rewards

Reinforcement Learning (RL) has the potential to improve the robustness of GUI agents in stochastic environments, yet training is highly sensitive to the quality of the reward function. Existing reward approaches struggle to achieve both scalability and performance. To address this, we propose OS-Themis, a scalable and accurate multi-agent critic framework. Unlike a single judge, OS-Themis decomposes trajectories into verifiable milestones to isolate critical evidence for decision making and employs a review mechanism to strictly audit the evidence chain before making the final verdict. To facilitate evaluation, we further introduce OmniGUIRewardBench (OGRBench), a holistic cross-platform benchmark for GUI outcome rewards, where all evaluated models achieve their best performance under OS-Themis. Extensive experiments on AndroidWorld show that OS-Themis yields a 10.3% improvement when used to support online RL training, and a 6.9% gain when used for trajectory validation and filtering in the self-training loop, highlighting its potential to drive agent evolution.

cs.AI↗

arXiv2026

Learning Goal-Oriented Vision-and-Language Navigation with Self-Improving Demonstrations at Scale

Goal-oriented vision-language navigation requires robust exploration capabilities for agents to navigate to specified goals in unknown environments without step-by-step instructions. Existing methods tend to exclusively utilize shortest-path trajectories, lacking effective exploration priors for training navigation agents. To address the above challenges, we present SID, a goal-oriented vision-and-language navigation learning approach with Self-Improving Demonstrations. Specifically, SID learns an initial agent on the shortest-path data sampled from environments and then leverages this agent to generate novel exploration trajectories. The novel rollouts provide demonstrations with stronger exploration strategies to train a better agent, which in turn produces higher-quality agent demonstrations for the next round of training. We show that this iterative self-improving pipeline readily scales to new environments, and the resulting demonstrations are highly transferable, elevating the performance ceiling across a variety of vision-and-language navigation tasks. Extensive experiments demonstrate that SID significantly boosts the exploration capabilities and generalization of navigation agents. The resulting agent achieves new state-of-the-art performance on goal-oriented vision-and-language navigation benchmarks, including REVERIE, SOON as well as strong transferability to object-goal navigation and VLN-CE. It notably achieves a 50.9% success rate on the unseen validation splits of SOON, surpassing prior leading approaches by a margin of 13.9%.

cs.CV↗

arXiv2026

Machine Learning for Electron-phonon Interactions From Finite Difference

First-principles investigations of electron-phonon interactions (EPIs) play a crucial role in understanding a wide range of phenomena in physics and materials science. Among various approaches, the finite difference method offers a direct route to capture higher-order EPIs and is compatible with diverse electronic structure solvers. However, its considerable computational cost limits its broader application. To overcome this bottleneck, we present a machine learning electron-phonon interaction (MLEPI) pipeline that predicts force constants and electronic Hamiltonians for modeling EPIs from finite difference calculations, improving efficiency by orders of magnitude without compromising accuracy. The performance of MLEPI is validated by studying the temperature dependence of the electronic band properties in bilayer graphene, where both first- and second order EPIs are treated on an equal footing. Using a heterogeneous edge network, the pipeline integrates both interlayer and intralayer interactions, making it particularly suitable for studying multilayer materials. With its inherent adaptability and ease of transfer to other applications, our methodology provides a robust tool with a very favorable accuracy/efficiency balance for investigating EPIs in large-scale material systems.

cond-mat.mtrl-sci↗

arXiv2026

RV$\times$TESS I: Modeling Asteroseismic Signals with Simultaneous Photometry and RVs

Detecting small planets via the radial velocity method remains challenged by signals induced by stellar variability, versus the effects of the planet(s). Here, we explore using Gaussian Process (GP) regression with Transiting Exoplanet Survey Satellite (TESS) photometry in modeling radial velocities (RVs) to help to mitigate stellar jitter from oscillations and granulation for exoplanet detection. We applied GP regression to simultaneous TESS photometric and RV data of HD 5562, a G-type subgiant ($M_\star=1.09M_{\odot}$, $R_\star=1.88R_{\odot}$) with a V magnitude of 7.17, using photometry to inform the priors for RV fitting. The RV data is obtained by the Magellan Planet Finder Spectrograph (PFS). The photometry-informed GP regression reduced the RV scatter of HD~5562 from 2.03 to 0.51 m/s. We performed injection and recovery tests to evaluate the potential of GPs for discovering small exoplanets around evolved stars, which demonstrate that the GP provides comparable noise reduction to the binning method. We also found that the necessity of photometric data depends on the quality of the RV dataset. For long baseline and high-cadence RV observations, GP regression can effectively mitigate stellar jitter without photometric data. However, for intermittent RV observations, incorporating photometric data improves GP fitting and enhances detection capabilities.

astro-ph.EP↗

arXiv2026

OS-Symphony: A Holistic Framework for Robust and Generalist Computer-Using Agent

While Vision-Language Models (VLMs) have significantly advanced Computer-Using Agents (CUAs), current frameworks struggle with robustness in long-horizon workflows and generalization in novel domains. These limitations stem from a lack of granular control over historical visual context curation and the absence of visual-aware tutorial retrieval. To bridge these gaps, we introduce OS-Symphony, a holistic framework that comprises an Orchestrator coordinating two key innovations for robust automation: (1) a Reflection-Memory Agent that utilizes milestone-driven long-term memory to enable trajectory-level self-correction, effectively mitigating visual context loss in long-horizon tasks; (2) Versatile Tool Agents featuring a Multimodal Searcher that adopts a SeeAct paradigm to navigate a browser-based sandbox to synthesize live, visually aligned tutorials, thereby resolving fidelity issues in unseen scenarios. Experimental results demonstrate that OS-Symphony delivers substantial performance gains across varying model scales, establishing new state-of-the-art results on three online benchmarks, notably achieving 65.84% on OSWorld.

cs.MA↗

arXiv2025

OS-Oracle: A Comprehensive Framework for Cross-Platform GUI Critic Models

With VLM-powered computer-using agents (CUAs) becoming increasingly capable at graphical user interface (GUI) navigation and manipulation, reliable step-level decision-making has emerged as a key bottleneck for real-world deployment. In long-horizon workflows, errors accumulate quickly and irreversible actions can cause unintended consequences, motivating critic models that assess each action before execution. While critic models offer a promising solution, their effectiveness is hindered by the lack of diverse, high-quality GUI feedback data and public critic benchmarks for step-level evaluation in computer use. To bridge these gaps, we introduce OS-Oracle that makes three core contributions: (1) a scalable data pipeline for synthesizing cross-platform GUI critic data; (2) a two-stage training paradigm combining supervised fine-tuning (SFT) and consistency-preserving group relative policy optimization (CP-GRPO); (3) OS-Critic Bench, a holistic benchmark for evaluating critic model performance across Mobile, Web, and Desktop platforms. Leveraging this framework, we curate a high-quality dataset containing 310k critic samples. The resulting critic model, OS-Oracle-7B, achieves state-of-the-art performance among open-source VLMs on OS-Critic Bench, and surpasses proprietary models on the mobile domain. Furthermore, when serving as a pre-critic, OS-Oracle-7B improves the performance of native GUI agents such as UI-TARS-1.5-7B in OSWorld and AndroidWorld environments. The code is open-sourced at https://github.com/numbmelon/OS-Oracle.

cs.AI↗

arXiv2025

Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling.

cs.CL↗

arXiv2025

Planning with Sketch-Guided Verification for Physics-Aware Video Generation

Recent video generation approaches increasingly rely on planning intermediate control signals such as object trajectories to improve temporal coherence and motion fidelity. However, these methods mostly employ single-shot plans that are typically limited to simple motions, or iterative refinement which requires multiple calls to the video generator, incuring high computational cost. To overcome these limitations, we propose SketchVerify, a training-free, sketch-verification-based planning framework that improves motion planning quality with more dynamically coherent trajectories (i.e., physically plausible and instruction-consistent motions) prior to full video generation by introducing a test-time sampling and verification loop. Given a prompt and a reference image, our method predicts multiple candidate motion plans and ranks them using a vision-language verifier that jointly evaluates semantic alignment with the instruction and physical plausibility. To efficiently score candidate motion plans, we render each trajectory as a lightweight video sketch by compositing objects over a static background, which bypasses the need for expensive, repeated diffusion-based synthesis while achieving comparable performance. We iteratively refine the motion plan until a satisfactory one is identified, which is then passed to the trajectory-conditioned generator for final synthesis. Experiments on WorldModelBench and PhyWorldBench demonstrate that our method significantly improves motion quality, physical realism, and long-term consistency compared to competitive baselines while being substantially more efficient. Our ablation study further shows that scaling up the number of trajectory candidates consistently enhances overall performance.

cs.CV↗

arXiv2025

DreamRunner: Fine-Grained Compositional Story-to-Video Generation with Retrieval-Augmented Motion Adaptation

Storytelling video generation (SVG) aims to produce coherent and visually rich multi-scene videos that follow a structured narrative. Existing methods primarily employ LLM for high-level planning to decompose a story into scene-level descriptions, which are then independently generated and stitched together. However, these approaches struggle with generating high-quality videos aligned with the complex single-scene description, as visualizing such complex description involves coherent composition of multiple characters and events, complex motion synthesis and multi-character customization. To address these challenges, we propose DREAMRUNNER, a novel story-to-video generation method: First, we structure the input script using a large language model (LLM) to facilitate both coarse-grained scene planning as well as fine-grained object-level layout planning. Next, DREAMRUNNER presents retrieval-augmented test-time adaptation to capture target motion priors for objects in each scene, supporting diverse motion customization based on retrieved videos, thus facilitating the generation of new videos with complex, scripted motions. Lastly, we propose a novel spatial-temporal region-based 3D attention and prior injection module SR3AI for fine-grained object-motion binding and frame-by-frame spatial-temporal semantic control. We compare DREAMRUNNER with various SVG baselines, demonstrating state-of-the-art performance in character consistency, text alignment, and smooth transitions. Additionally, DREAMRUNNER exhibits strong fine-grained condition-following ability in compositional text-to-video generation, significantly outperforming baselines on T2V-ComBench. Finally, we validate DREAMRUNNER's robust ability to generate multi-object interactions with qualitative examples.

cs.CV↗

arXiv2025

E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products

Equivariant Graph Neural Networks (EGNNs) have demonstrated significant success in modeling microscale systems, including those in chemistry, biology and materials science. However, EGNNs face substantial computational challenges due to the high cost of constructing edge features via spherical tensor products, making them impractical for large-scale systems. To address this limitation, we introduce E2Former, an equivariant and efficient transformer architecture that incorporates the Wigner $6j$ convolution (Wigner $6j$ Conv). By shifting the computational burden from edges to nodes, the Wigner $6j$ Conv reduces the complexity from $O(|\mathcal{E}|)$ to $ O(| \mathcal{V}|)$ while preserving both the model's expressive power and rotational equivariance. We show that this approach achieves a 7x-30x speedup compared to conventional $\mathrm{SO}(3)$ convolutions. Furthermore, our empirical results demonstrate that the derived E2Former mitigates the computational challenges of existing approaches without compromising the ability to capture detailed geometric information. This development could suggest a promising direction for scalable and efficient molecular modeling.

cs.LG↗

arXiv2025

SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles

Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale nature poses significant modeling challenges. Conventional force fields often lack the accuracy and transferability required to capture the intricate interactions governing polymer behavior. Conversely, quantum-chemical methods are computationally prohibitive for the large systems and long timescales required to simulate relevant polymer phenomena. Here, we overcome these limitations with a machine learning force field (MLFF) approach. We demonstrate that macroscopic properties for a broad range of polymers can be predicted ab initio, without fitting to experimental data. Specifically, we develop a fast and scalable MLFF to accurately predict polymer densities, outperforming established classical force fields. Our MLFF also captures second-order phase transitions, enabling the prediction of glass transition temperatures. To accelerate progress in this domain, we introduce a benchmark of experimental bulk properties for 130 polymers and an accompanying quantum-chemical dataset. This work lays the foundation for a fully in silico design pipeline for next-generation polymeric materials.

physics.chem-ph↗

arXiv2025

Vision-and-Language Navigation with Analogical Textual Descriptions in LLMs

Integrating large language models (LLMs) into embodied AI models is becoming increasingly prevalent. However, existing zero-shot LLM-based Vision-and-Language Navigation (VLN) agents either encode images as textual scene descriptions, potentially oversimplifying visual details, or process raw image inputs, which can fail to capture abstract semantics required for high-level reasoning. In this paper, we improve the navigation agent's contextual understanding by incorporating textual descriptions from multiple perspectives that facilitate analogical reasoning across images. By leveraging text-based analogical reasoning, the agent enhances its global scene understanding and spatial reasoning, leading to more accurate action decisions. We evaluate our approach on the R2R dataset, where our experiments demonstrate significant improvements in navigation performance.

cs.AI↗

arXiv2025

UniGenX: a unified generative foundation model that couples sequence, structure and function to accelerate scientific design across proteins, molecules and materials

Function in natural systems arises from one-dimensional sequences forming three-dimensional structures with specific properties. However, current generative models suffer from critical limitations: training objectives seldom target function directly, discrete sequences and continuous coordinates are optimized in isolation, and conformational ensembles are under-modeled. We present UniGenX, a unified generative foundation model that addresses these gaps by co-generating sequences and coordinates under direct functional and property objectives across proteins, molecules, and materials. UniGenX represents heterogeneous inputs as a mixed stream of symbolic and numeric tokens, where a decoder-only autoregressive transformer provides global context and a conditional diffusion head generates numeric fields steered by task-specific tokens. Besides the new high SOTAs on structure prediction tasks, the model demonstrates state-of-the-art or competitive performance for the function-aware generation across domains: in materials, it achieves "conflicted" multi-property conditional generation, yielding 436 crystal candidates meeting triple constraints, including 11 with novel compositions; in chemistry, it sets new benchmarks on five property targets and conformer ensemble generation on GEOM; and in biology, it improves success in modeling protein induced fit (RMSD < 2 Å) by over 23-fold and enhances EC-conditioned enzyme design. Ablation studies and cross-domain transfer substantiate the benefits of joint discrete-continuous training, establishing UniGenX as a significant advance from prediction to controllable, function-aware generation.

cs.LG↗

arXiv2025

A Novel Mutation Based Method for Detecting FPGA Logic Synthesis Tool Bugs

FPGA (Field-Programmable Gate Array) logic synthesis tools are key components in the EDA (Electronic Design Automation) toolchain. They convert hardware designs written in description languages such as Verilog into gate-level representations for FPGAs. However, defects in these tools may lead to unexpected behaviors and pose security risks. Therefore, it is crucial to harden these tools through testing. Although several methods have been proposed to automatically test FPGA logic synthesis tools, the challenge remains of insufficient semantic and logical complexity in test programs. In this paper, we propose VERMEI, a new method for testing FPGA logic synthesis tools. VERMEI consists of three modules: preprocessing, equivalent mutation, and bug identification. The preprocessing module identifies zombie logic (inactive code with no impact on the circuit output) in seed programs through simulation and coverage analysis. The equivalent mutation module generates equivalent variants of seed programs by pruning or inserting logic fragments in zombie areas. It uses Bayesian sampling to extract logic fragments from historical Verilog designs, making the generated variants have complex control flows and structures. The bug identification module, based on differential testing, compares the synthesized outputs of seed and variant programs to identify bugs. Experiments on Yosys, Vivado, and Quartus demonstrate that VERMEI outperforms the state-of-the-art methods. Within five months, VERMEI reported 15 bugs to vendors, 9 of which were confirmed as new.

cs.SE↗

arXiv2025

Potential Score Matching: Debiasing Molecular Structure Sampling with Potential Energy Guidance

The ensemble average of physical properties of molecules is closely related to the distribution of molecular conformations, and sampling such distributions is a fundamental challenge in physics and chemistry. Traditional methods like molecular dynamics (MD) simulations and Markov chain Monte Carlo (MCMC) sampling are commonly used but can be time-consuming and costly. Recently, diffusion models have emerged as efficient alternatives by learning the distribution of training data. Obtaining an unbiased target distribution is still an expensive task, primarily because it requires satisfying ergodicity. To tackle these challenges, we propose Potential Score Matching (PSM), an approach that utilizes the potential energy gradient to guide generative models. PSM does not require exact energy functions and can debias sample distributions even when trained on limited and biased data. Our method outperforms existing state-of-the-art (SOTA) models on the Lennard-Jones (LJ) potential, a commonly used toy model. Furthermore, we extend the evaluation of PSM to high-dimensional problems using the MD17 and MD22 datasets. The results demonstrate that molecular distributions generated by PSM more closely approximate the Boltzmann distribution compared to traditional diffusion models.

cs.LG↗

arXiv2025

Nature Language Model: Deciphering the Language of Nature for Scientific Discovery

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, RNA and even cells. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) top performance across different domains, matching or surpassing state-of-the-art specialist models. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

cs.AI↗

arXiv2025

Trust Region Preference Approximation: A simple and stable reinforcement learning algorithm for LLM reasoning

Recently, Large Language Models (LLMs) have rapidly evolved, approaching Artificial General Intelligence (AGI) while benefiting from large-scale reinforcement learning to enhance Human Alignment (HA) and Reasoning. Recent reward-based optimization algorithms, such as Proximal Policy Optimization (PPO) and Group Relative Policy Optimization (GRPO) have achieved significant performance on reasoning tasks, whereas preference-based optimization algorithms such as Direct Preference Optimization (DPO) significantly improve the performance of LLMs on human alignment. However, despite the strong performance of reward-based optimization methods in alignment tasks , they remain vulnerable to reward hacking. Furthermore, preference-based algorithms (such as Online DPO) haven't yet matched the performance of reward-based optimization algorithms (like PPO) on reasoning tasks, making their exploration in this specific area still a worthwhile pursuit. Motivated by these challenges, we propose the Trust Region Preference Approximation (TRPA) algorithm, which integrates rule-based optimization with preference-based optimization for reasoning tasks. As a preference-based algorithm, TRPA naturally eliminates the reward hacking issue. TRPA constructs preference levels using predefined rules, forms corresponding preference pairs, and leverages a novel optimization algorithm for RL training with a theoretical monotonic improvement guarantee. Experimental results demonstrate that TRPA not only achieves competitive performance on reasoning tasks but also exhibits robust stability. The code of this paper are released and updating on https://github.com/XueruiSu/Trust-Region-Preference-Approximation.git.

cs.LG↗

arXiv2025

Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost--driven by high-order tensor product (TP) operations--restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce SPHNet, an efficient and scalable equivariant network, that incorporates adaptive SParsity into Hamiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact. Our code can be found at https://github.com/microsoft/SPHNet.

cs.LG↗