arXiv subjects

Chong Liu

Publications and source records attributed to Chong Liu.

At least 37 records · Page 2Linked to original sources

arXiv2026

Accelerating PDE Surrogates via RL-Guided Mesh Optimization

Deep surrogate models for parametric partial differential equations (PDEs) can deliver high-fidelity approximations but remain prohibitively data-hungry: training often requires thousands of fine-grid simulations, each incurring substantial computational cost. To address this challenge, we introduce RLMesh, an end-to-end framework for efficient surrogate training under limited simulation budget. The key idea is to use reinforcement learning (RL) to adaptively allocate mesh grid points non-uniformly within each simulation domain, focusing numerical resolution in regions most critical for accurate PDE solutions. A lightweight proxy model further accelerates RL training by providing efficient reward estimates without full surrogate retraining. Experiments on PDE benchmarks demonstrate that RLMesh achieves competitive accuracy to baselines but with substantially fewer simulation queries. These results show that solver-level spatial adaptivity can dramatically improve the efficiency of surrogate training pipelines, enabling practical deployment of learning-based PDE surrogates across a wide range of problems.

cs.LG↗

arXiv2026

Multi-Objective Coverage via Constraint Active Search

In this paper, we formulate the new multi-objective coverage (MOC) problem where our goal is to identify a small set of representative samples whose predicted outcomes broadly cover the feasible multi-objective space. This problem is of great importance in many critical real-world applications, e.g., drug discovery and materials design, as this representative set can be evaluated much faster than the whole feasible set, thus significantly accelerating the scientific discovery process. Existing works cannot be directly applied as they either focus on sample space coverage or multi-objective optimization that targets the Pareto front. However, chemically diverse samples often yield identical objective profiles, and safety constraints are usually defined on the objectives. To solve this MOC problem, we propose a novel search algorithm, MOC-CAS, which employs an upper confidence bound-based acquisition function to select optimistic samples guided by Gaussian process posterior predictions. For enabling efficient optimization, we develop a smoothed relaxation of the hard feasibility test and derive an approximate optimizer. Compared to the competitive baselines, we show that our MOC-CAS empirically achieves superior performances across large-scale protein-target datasets for SARS-CoV-2 and cancer, each assessed on five objectives derived from SMILES-based features.

cs.LG↗

arXiv2026

SVII-3D: Advancing Roadside Infrastructure Inventory with Decimeter-level 3D Localization and Comprehension from Sparse Street Imagery

The automated creation of digital twins and precise asset inventories is a critical task in smart city construction and facility lifecycle management. However, utilizing cost-effective sparse imagery remains challenging due to limited robustness, inaccurate localization, and a lack of fine-grained state understanding. To address these limitations, SVII-3D, a unified framework for holistic asset digitization, is proposed. First, LoRA fine-tuned open-set detection is fused with a spatial-attention matching network to robustly associate observations across sparse views. Second, a geometry-guided refinement mechanism is introduced to resolve structural errors, achieving precise decimeter-level 3D localization. Third, transcending static geometric mapping, a Vision-Language Model agent leveraging multi-modal prompting is incorporated to automatically diagnose fine-grained operational states. Experiments demonstrate that SVII-3D significantly improves identification accuracy and minimizes localization errors. Consequently, this framework offers a scalable, cost-effective solution for high-fidelity infrastructure digitization, effectively bridging the gap between sparse perception and automated intelligent maintenance.

cs.CV↗

arXiv2026

Unleashing the Capabilities of Large Vision-Language Models for Intelligent Perception of Roadside Infrastructure

Automated perception of urban roadside infrastructure is crucial for smart city management, yet general-purpose models often struggle to capture the necessary fine-grained attributes and domain rules. While Large Vision Language Models (VLMs) excel at open-world recognition, they often struggle to accurately interpret complex facility states in compliance with engineering standards, leading to unreliable performance in real-world applications. To address this, we propose a domain-adapted framework that transforms VLMs into specialized agents for intelligent infrastructure analysis. Our approach integrates a data-efficient fine-tuning strategy with a knowledge-grounded reasoning mechanism. Specifically, we leverage open-vocabulary fine-tuning on Grounding DINO to robustly localize diverse assets with minimal supervision, followed by LoRA-based adaptation on Qwen-VL for deep semantic attribute reasoning. To mitigate hallucinations and enforce professional compliance, we introduce a dual-modality Retrieval-Augmented Generation (RAG) module that dynamically retrieves authoritative industry standards and visual exemplars during inference. Evaluated on a comprehensive new dataset of urban roadside scenes, our framework achieves a detection performance of 58.9 mAP and an attribute recognition accuracy of 95.5%, demonstrating a robust solution for intelligent infrastructure monitoring.

cs.CV↗

arXiv2025

Modular Layout Synthesis (MLS): Front-end Code via Structure Normalization and Constrained Generation

Automated front-end engineering drastically reduces development cycles and minimizes manual coding overhead. While Generative AI has shown promise in translating designs to code, current solutions often produce monolithic scripts, failing to natively support modern ecosystems like React, Vue, or Angular. Furthermore, the generated code frequently suffers from poor modularity, making it difficult to maintain. To bridge this gap, we introduce Modular Layout Synthesis (MLS), a hierarchical framework that merges visual understanding with structural normalization. Initially, a visual-semantic encoder maps the screen capture into a serialized tree topology, capturing the essential layout hierarchy. Instead of simple parsing, we apply heuristic deduplication and pattern recognition to isolate reusable blocks, creating a framework-agnostic schema. Finally, a constraint-based generation protocol guides the LLM to synthesize production-ready code with strict typing and component props. Evaluations show that MLS significantly outperforms existing baselines, ensuring superior code reusability and structural integrity across multiple frameworks

cs.IR↗

arXiv2025

MiVLA: Towards Generalizable Vision-Language-Action Model with Human-Robot Mutual Imitation Pre-training

While leveraging abundant human videos and simulated robot data poses a scalable solution to the scarcity of real-world robot data, the generalization capability of existing vision-language-action models (VLAs) remains limited by mismatches in camera views, visual appearance, and embodiment morphologies. To overcome this limitation, we propose MiVLA, a generalizable VLA empowered by human-robot mutual imitation pre-training, which leverages inherent behavioral similarity between human hands and robotic arms to build a foundation of strong behavioral priors for both human actions and robotic control. Specifically, our method utilizes kinematic rules with left/right hand coordinate systems for bidirectional alignment between human and robot action spaces. Given human or simulated robot demonstrations, MiVLA is trained to forecast behavior trajectories for one embodiment, and imitate behaviors for another one unseen in the demonstration. Based on this mutual imitation, it integrates the behavioral fidelity of real-world human data with the manipulative diversity of simulated robot data into a unified model, thereby enhancing the generalization capability for downstream tasks. Extensive experiments conducted on both simulation and real-world platforms with three robots (ARX, PiPer and LocoMan), demonstrate that MiVLA achieves strong improved generalization capability, outperforming state-of-the-art VLAs (e.g., $\boldsymbolπ_{0}$, $\boldsymbolπ_{0.5}$ and H-RDT) by 25% in simulation, and 14% in real-world robot control tasks.

cs.RO↗

arXiv2025

Crossover Dynamics of Non-Fickian Ionic Diffusion in Solids

Ionic diffusion in solids is central to energy storage, electronics, and catalysis, yet its chemical origins are difficult to resolve because conventional diffusion models struggle with effects of confinement, crystallographic disorder, lattice distortions, and coupling to electronic or phononic carriers. These challenges are especially pronounced in battery materials, where ionic and electronic motion occur together, complicating interpretation of electrochemical measurements. Here we use tracer exchange as a direct, non-electrochemical probe to reveal distinct ion-transport regimes in the one-dimensional conductor olivine Li_xFePO4 (0 <= x <= 1). Lithium isotope exchange validates single-file diffusion governed by strong ion-ion correlations, where 1D confinement suppresses bypassing and preserves spatial order. Kinetic Monte Carlo simulations and chronoamperometry quantify both Faradaic and non-Faradaic surface exchange, identifying electron transport, rather than Li+ mobility, as the rate-limiting step for electrochemical reaction. In addition, Li-Na exchange exhibits apparent superdiffusion, with rates that increase with Na content. Simulations attribute this behavior to surface-exchange limitations and Na-induced lattice strain that enhances cross-channel Li+ hopping and drives a crossover from 1D to quasi-2D transport. Four-dimensional STEM, in situ synchrotron XRD, X-ray absorption spectroscopy, and Mossbauer spectroscopy confirm that lattice softening and concerted polaron motion contribute to the observed dynamics. These results establish tracer exchange as a powerful tool for probing coupled ion-electron transport and provide chemical insight into how lattice mechanics and multicomponent exchange shape ionic diffusion in solids.

cond-mat.mtrl-sci↗

arXiv2025

None To Optima in Few Shots: Bayesian Optimization with MDP Priors

Bayesian Optimization (BO) is an efficient tool for optimizing black-box functions, but its theoretical guarantees typically hold in the asymptotic regime. In many critical real-world applications such as drug discovery or materials design, where each evaluation can be very costly and time-consuming, BO becomes impractical for many evaluations. In this paper, we introduce the Procedure-inFormed BO (ProfBO) algorithm, which solves black-box optimization with remarkably few function evaluations. At the heart of our algorithmic design are Markov Decision Process (MDP) priors that model optimization trajectories from related source tasks, thereby capturing procedural knowledge on efficient optimization. We embed these MDP priors into a prior-fitted neural network and employ model-agnostic meta-learning for fast adaptation to new target tasks. Experiments on real-world Covid and Cancer benchmarks and hyperparameter tuning tasks demonstrate that ProfBO consistently outperforms state-of-the-art methods by achieving high-quality solutions with significantly fewer evaluations, making it ready for practical deployment.

cs.LG↗

arXiv2025

Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches

Protein-ligand binding is the process by which a small molecule (drug or inhibitor) attaches to a target protein. Binding affinity, which characterizes the strength of biomolecular interactions, is essential for tackling diverse challenges in life sciences, including therapeutic design, protein engineering, enzyme optimization, and elucidating biological mechanisms. Much work has been devoted to predicting binding affinity over the past decades. Here, we review recent significant works, with a focus on methods, evaluation strategies, and benchmark datasets. We note growing use of both traditional machine learning and deep learning models for predicting binding affinity, accompanied by an increasing amount of data on proteins and small drug-like molecules. With improved predictive performance and the FDA's phasing out of animal testing, AI-driven in silico models, such as AI virtual cells (AIVCs), are poised to advance binding affinity prediction; reciprocally, progress in building binding affinity predictors can refine AIVCs. Future efforts in binding affinity prediction and AI-driven in silico models can enhance the simulation of temporal dynamics, cell-type specificity, and multi-omics integration to support more accurate and personalized outcomes.

q-bio.QM↗

arXiv2025

Empowering Bridge Digital Twins by Bridging the Data Gap with a Unified Synthesis Framework

As critical transportation infrastructure, bridges face escalating challenges from aging and deterioration, while traditional manual inspection methods suffer from low efficiency. Although 3D point cloud technology provides a new data-driven paradigm, its application potential is often constrained by the incompleteness of real-world data, which results from missing labels and scanning occlusions. To overcome the bottleneck of insufficient generalization in existing synthetic data methods, this paper proposes a systematic framework for generating 3D bridge data. This framework can automatically generate complete point clouds featuring component-level instance annotations, high-fidelity color, and precise normal vectors. It can be further extended to simulate the creation of diverse and physically realistic incomplete point clouds, designed to support the training of segmentation and completion networks, respectively. Experiments demonstrate that a PointNet++ model trained with our synthetic data achieves a mean Intersection over Union (mIoU) of 84.2% in real-world bridge semantic segmentation. Concurrently, a fine-tuned KT-Net exhibits superior performance on the component completion task. This research offers an innovative methodology and a foundational dataset for the 3D visual analysis of bridge structures, holding significant implications for advancing the automated management and maintenance of infrastructure.

cs.CV↗

arXiv2025

UI-TARS-2 Technical Report: Advancing GUI Agent with Multi-Turn Reinforcement Learning

The development of autonomous agents for graphical user interfaces (GUIs) presents major challenges in artificial intelligence. While recent advances in native agent models have shown promise by unifying perception, reasoning, action, and memory through end-to-end learning, open problems remain in data scalability, multi-turn reinforcement learning (RL), the limitations of GUI-only operation, and environment stability. In this technical report, we present UI-TARS-2, a native GUI-centered agent model that addresses these challenges through a systematic training methodology: a data flywheel for scalable data generation, a stabilized multi-turn RL framework, a hybrid GUI environment that integrates file systems and terminals, and a unified sandbox platform for large-scale rollouts. Empirical evaluation demonstrates that UI-TARS-2 achieves significant improvements over its predecessor UI-TARS-1.5. On GUI benchmarks, it reaches 88.2 on Online-Mind2Web, 47.5 on OSWorld, 50.6 on WindowsAgentArena, and 73.3 on AndroidWorld, outperforming strong baselines such as Claude and OpenAI agents. In game environments, it attains a mean normalized score of 59.8 across a 15-game suite-roughly 60% of human-level performance-and remains competitive with frontier proprietary models (e.g., OpenAI o3) on LMGame-Bench. Additionally, the model can generalize to long-horizon information-seeking tasks and software engineering benchmarks, highlighting its robustness across diverse agent tasks. Detailed analyses of training dynamics further provide insights into achieving stability and efficiency in large-scale agent RL. These results underscore UI-TARS-2's potential to advance the state of GUI agents and exhibit strong generalization to real-world interactive scenarios.

cs.AI↗

arXiv2025

Baichuan-M2: Scaling Medical Capability with Large Verifier System

As large language models (LLMs) advance in conversational and reasoning capabilities, their practical application in healthcare has become a critical research focus. However, there is a notable gap between the performance of medical LLMs on static benchmarks such as USMLE and their utility in real-world clinical decision-making. This discrepancy arises because traditional exams fail to capture the dynamic, interactive nature of medical consultations. To address this challenge, we introduce a novel dynamic verification framework that moves beyond static answer verifier, establishing a large-scale, high-fidelity interactive reinforcement learning system. Our framework comprises two key components: a Patient Simulator that creates realistic clinical environments using de-identified medical records, and a Clinical Rubrics Generator that dynamically produces multi-dimensional evaluation metrics. Building on this foundation, we develop Baichuan-M2, a 32B-parameter medical augmented reasoning model trained through a multi-stage reinforcement learning strategy with an improved Group Relative Policy Optimization (GRPO) algorithm. Evaluated on HealthBench, Baichuan-M2 outperforms all other open-source models and most advanced closed-source counterparts, achieving a score above 32 on the challenging HealthBench Hard benchmark-previously exceeded only by GPT-5. Our work demonstrates that robust dynamic verifier system is essential for aligning LLM capabilities with practical clinical applications, establishing a new Pareto front in the performance-parameter trade-off for medical AI deployment.

cs.LG↗

arXiv2025

Pathwise analysis of log-optimal portfolios

Based on the theory of càdlàg rough paths, we develop a pathwise approach to analyze stability and approximation properties of portfolios along individual price trajectories generated by standard models of financial markets. As a prototypical example from portfolio theory, we study the log-optimal portfolio in a classical investment-consumption optimization problem on a frictionless financial market modelled by an Itô diffusion process. We identify a fully deterministic framework that enables a pathwise construction of the log-optimal portfolio, for which we then establish pathwise stability estimates with respect to the underlying model parameters. We also derive pathwise error estimates arising from the time-discretization of the log-optimal portfolio and its associated capital process.

q-fin.MF↗

arXiv2025

Pathwise convergence of the Euler scheme for rough and stochastic differential equations

The convergence of the first order Euler scheme and an approximative variant thereof, along with convergence rates, are established for rough differential equations driven by càdlàg paths satisfying a suitable criterion, namely the so-called Property (RIE), along time discretizations with vanishing mesh size. This property is then verified for almost all sample paths of Brownian motion, Itô processes, Lévy processes and general càdlàg semimartingales, as well as the driving signals of both mixed and rough stochastic differential equations, relative to various time discretizations. Consequently, we obtain pathwise convergence in p-variation of the Euler--Maruyama scheme for stochastic differential equations driven by these processes.

math.PR↗

arXiv2025

Beating solitons with nonzero relative wavenumber, their interaction, and coexistence with Akhmediev breathers

We study beating solitons and their interaction for the three-component nonlinear Schrödinger equations (NLSEs) in both focusing and defocusing cases. We identify a previously unknown family of beating solitons with nonzero relative wavenumber which is absent in the two-component NLSEs. Existence diagrams of these beating solitons are extracted from the exact solutions. Unique coexistence and interaction between beating solitons and vector Akhmediev breathers are revealed by using the existence diagrams. It is demonstrated that the coexisting breathers turn out to be the two-component Akhmediev breathers with nonzero relative wavenumber. The validity of our exact solutions has been confirmed by numerical simulations.

nlin.PS↗

arXiv2025

Bayesian Optimization with Inexact Acquisition: Is Random Grid Search Sufficient?

Bayesian optimization (BO) is a widely used iterative algorithm for optimizing black-box functions. Each iteration requires maximizing an acquisition function, such as the upper confidence bound (UCB) or a sample path from the Gaussian process (GP) posterior, as in Thompson sampling (TS). However, finding an exact solution to these maximization problems is often intractable and computationally expensive. Reflecting such realistic situations, in this paper, we delve into the effect of inexact maximizers of the acquisition functions. Defining a measure of inaccuracy in acquisition solutions, we establish cumulative regret bounds for both GP-UCB and GP-TS without requiring exact solutions of acquisition function maximization. Our results show that under appropriate conditions on accumulated inaccuracy, inexact BO algorithms can still achieve sublinear cumulative regret. Motivated by such findings, we provide both theoretical justification and numerical validation for random grid search as an effective and computationally efficient acquisition function solver.

stat.ML↗

arXiv2025

Rational Decision-Making Agent with Internalized Utility Judgment

Large language models (LLMs) have demonstrated remarkable advancements and have attracted significant efforts to develop LLMs into agents capable of executing intricate multi-step decision-making tasks beyond traditional NLP applications. Existing approaches to LLM-based decision-making predominantly build upon the manually-designed external performance metrics to guide the decision-making process. However, reliance on the external performance metrics as prior is problematic in real-world scenarios, where such prior may be unavailable, flawed, or even erroneous. For genuine autonomous decision making, it is imperative for the agent to develop its rationality from its posterior experiences to judge decisions independently. Central to the development of rationality is the construction of an internalized utility judgment, capable of assigning numerical utilities to each decision. This paper proposes RadAgent (Rational Decision-Making Agent), which fosters the development of its rationality through an iterative framework involving Experience Exploration and Utility Learning. Within this framework, Elo-based Utility Construction is devised to assign Elo scores to individual decision steps to judge their utilities via pairwise comparisons. Consequently, these Elo scores guide the decision-making process to derive optimal outcomes. Experimental results on the ToolBench dataset demonstrate RadAgent's superiority over baselines, achieving over 10% improvement in Pass Rate on diverse tasks. It offers higher-quality solutions and reduces costs (ChatGPT API calls), highlighting its effectiveness and efficiency.

cs.CL↗

arXiv2025

Constrained Multi-objective Bayesian Optimization through Optimistic Constraints Estimation

Multi-objective Bayesian optimization has been widely adopted in scientific experiment design, including drug discovery and hyperparameter optimization. In practice, regulatory or safety concerns often impose additional thresholds on certain attributes of the experimental outcomes. Previous work has primarily focused on constrained single-objective optimization tasks or active search under constraints. The existing constrained multi-objective algorithms address the issue with heuristics and approximations, posing challenges to the analysis of the sample efficiency. We propose a novel constrained multi-objective Bayesian optimization algorithm COMBOO that balances active learning of the level-set defined on multiple unknowns with multi-objective optimization within the feasible region. We provide both theoretical analysis and empirical evidence, demonstrating the efficacy of our approach on various synthetic benchmarks and real-world applications.

cs.LG↗