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Bin Cao

Publications and source records attributed to Bin Cao.

At least 19 recordsLinked to original sources
arXiv2026

AtlasVLA: Persistent World-Ego State Modeling for Vision-Language-Action Models

While Vision-Language-Action (VLA) models have advanced embodied AI, their fundamentally reactive paradigm severely limits performance in partially observable and long-horizon tasks. When restricted to a single wrist-mounted camera, they inevitably suffer from perception forgetting as objects exit the field of view, and temporal task-progress forgetting} during multi-step execution. To overcome these bottlenecks, we propose AtlasVLA, a novel framework that transitions from direct reactive manipulation to proactive reasoning through a persistent world-ego state. AtlasVLA features a dual-memory architecture: a 4D Persistent World State Memory that lifts transient 2D observations into a globally updated, voxel-hashed spatial state to resolve visual blind spots, and an Ego-Working State Memory that tracks historical ego state and task progress. By conditioning a diffusion transformer (DiT) on this joint World-Ego state, AtlasVLA enables robust spatial reasoning. Extensive evaluations across LIBERO, RLBench, and real-world benchmarks demonstrate that AtlasVLA achieves state-of-the-art performance using solely a wrist camera. Remarkably, it decisively outperforms multi-view baselines, yielding absolute success rate improvements of 9.4% on LIBERO-Long and 17.5% in real-world long-horizon tasks.

cs.RO↗
arXiv2026

XMatcher: An Open-Source Framework for X-Ray Diffraction Phase Identification

Powder X-ray diffraction (XRD) is widely used for crystalline phase identification, and recent machine learning approaches have demonstrated remarkable capabilities in accelerating diffraction interpretation. However, reliable phase assignment still requires transparent, evidence-based validation, particularly for complex samples where interpretability and expert assessment remain essential. Search-match methods provide a robust and complementary strategy, yet many implementations are proprietary, limiting accessibility and reproducibility. Here, we introduce XMatcher, an open-source, evidence-driven framework that integrates diffraction databases, matching algorithms, and interactive visualization into a portable workflow. XMatcher generates theoretical diffraction libraries from crystal structures, retrieves candidate phases through chemical and diffraction constraints, applies global angular-shift correction and one-to-one peak matching, and reports quantitative agreement metrics together with peak-level evidence. Its AutoMix module extends identification to multiphase patterns by evaluating candidate phase combinations, estimating non-negative diffraction contributions, and visualizing phase-specific peak distributions. Through a local graphical interface, XMatcher enables ranked candidate inspection, interactive pattern comparison, PDF/CIF-based whole-pattern validation, and reproducible analysis export. By exposing both supporting and conflicting evidence rather than relying on a single similarity score, XMatcher provides an interpretable and reproducible platform for crystalline phase identification.

cond-mat.mtrl-sci↗
arXiv2026

EHHN: An Event-driven Heterogeneous Hypergraph Network for Object-Centric Next Activity Prediction

Next activity prediction helps service-oriented processes anticipate upcoming steps before delays, exceptions, or service-level risks occur. Most existing methods assume classical single-case event logs, whereas real service processes often involve events shared by multiple typed business objects. Object-centric event logs (OCELs) capture such interactions, but current predictors remain limited. Flattening-based approaches lose cross-object context, and native OCEL graph-based approaches encode multi-object events through pairwise relations. Existing models also do not jointly capture event-driven object state changes, inter-event timing, and global execution patterns. We propose EHHN, an Event-driven Heterogeneous Hypergraph Network for object-centric next activity prediction. EHHN represents each prediction prefix as a heterogeneous hypergraph, where event--object hyperedges bind retained co-participating objects and a lifecycle hyperedge groups the primary object's observed lifecycle events. Based on this representation, EHHN uses a dual-stream architecture in which a micro-spatial stream models event-driven object-state evolution and a macro-evolution stream captures temporal dynamics using retrieved global prototypes. The two streams are fused to predict the next activity. Experiments on four public OCEL benchmarks against nine baselines show that EHHN achieves the best accuracy and macro F1-score on all datasets, with improvements of up to 8.1 and 12.4 percentage points over the strongest baselines. Compared with the strongest OCEL-native graph baseline, EHHN also reduces peak GPU memory by up to 24 times. Code is available at https://github.com/chenkaitao1112/EHHN.

cs.LG↗
arXiv2026

SVGym (SciVerseGym): An Environment for Reinforcement Learning and Bayesian Optimization in Crystal Discovery

Machine-learned interatomic potentials now enable efficient atomistic evaluation for interactive materials discovery, yet closed-loop crystal search methods remain fragmented across bespoke pipelines for editing, relaxation, scoring, constraints, and bookkeeping. We introduce SciVerseGym, a Gymnasium-compatible environment for sequential crystal discovery that frames crystal design as a Markov decision process. Agents observe an atomistic structure, apply chemically meaningful edits, and receive feedback from a configurable evaluator. SciVerseGym supports local and global actions, including elemental substitution, lattice perturbation, atomic displacement, vacancy creation, and atom insertion, along with configurable chemical spaces, structure pools, atomistic and graph-based observations, custom rewards, optional relaxation, and stability or phonon-related diagnostics. Each step applies an edit, evaluates the candidate using a machine-learned interatomic potential or any ASE-compatible calculator, and returns the standard (obs, reward, terminated, truncated, info) tuple. By decoupling agent logic from materials infrastructure, SciVerseGym provides an open, reproducible, and extensible testbed for reinforcement learning, Bayesian optimization, evolutionary search, and language-agent workflows in closed-loop crystal discovery. Code is available at: https://github.com/Bin-Cao/SciVerseGym.

cs.AI↗
arXiv2026

VeriSpace: Spatially Grounded Action Verification for Vision-Language-Action Models

Vision-language-action (VLA) models have shown strong promise for robotic manipulation, but their reliability at test time remains limited by one-shot action prediction, where even small action errors can cause grasp failure, collision, or incorrect task progression. A natural alternative is to equip VLA systems with test-time verification, allowing multiple candidate actions to be proposed and evaluated before execution. However, reliable action verification is challenging because it requires not only distinguishing subtle geometric differences between candidate actions, but also assessing whether an action makes meaningful progress toward the task goal. We present VeriSpace, a 3D-aware action verifier for test-time action selection in VLA systems. VeriSpace evaluates candidate actions through two key components: Dual-Path 3D-Injected Scene Encoding, which constructs a scene representation that jointly preserves visual semantics and explicit 3D geometry, and Spatially-Grounded Action Reasoning, which evaluates each action by reasoning over task-relevant spatial relations, geometric validity, and expected goal progress. Together, these components enable more reliable discrimination between subtle yet outcome-critical action candidates while remaining fully compatible with existing VLA policies. Experiments on public benchmarks and real-world robotic manipulation tasks show that VeriSpace consistently improves decision reliability over both underlying VLA policies and prior verification-based methods, yielding substantial gains in both in-distribution and out-of-distribution settings.

cs.RO↗
arXiv2026

Joint Communication and Computation Scheduling for MEC-enabled AIGC Services: A Game-Theoretic Stochastic Learning Approach

Artificial Intelligence Generated Content (AIGC) powered by Generative Diffusion Models (GDMs) has emerged as a transformative paradigm for automated content creation. To satisfy the stringent latency requirements of AIGC services in many edge intelligence scenarios (e.g., smart cities), Mobile Edge Computing (MEC) provides critical computational support by deploying GDMs at edge servers (ES) close to end users. This paper investigates an MEC-enabled AIGC network comprising multiple ES, wireless access points (APs), and mobile users (UEs) with heterogeneous latency and accuracy demands. We formulate a Joint Communication Association and Computation Offloading (JCACO) game, where each UE strategically selects its serving AP, ES, and inference steps to minimize the overall service completion time while meeting accuracy constraints. The problem is challenging due to the network dynamics and the incomplete information. We prove that the JCACO game is a potential game under both complete and stochastic information settings, ensuring the existence of Nash Equilibrium (NE) in both cases. To derive the NE efficiently, we develop a distributed Multi-Agent Stochastic Learning (MASL) algorithm that provably converges to the NE with strict performance guarantees. Unlike conventional best-response schemes, MASL requires neither the knowledge of other players' strategies nor global network information, making it fully distributed and adaptive to dynamic environments. We further provide a strict theoretical convergence analysis for MASL by using Ordinary Differential Equations (ODEs). Simulation results demonstrate that MASL significantly reduces service completion time compared with benchmark methods while satisfying accuracy constraints, confirming its effectiveness and practicality for real-world MEC-enabled AIGC networks.

cs.GT↗
arXiv2026

XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction

Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled. While recent advances in representation-based crystal retrieval and generation suggest the possibility of inferring structures directly from PXRD, existing approaches largely assume single-phase inputs and break down in multiphase settings. Here, we present XDecomposer, a prior-free framework for joint decomposition and identification of multiphase XRD patterns without requiring candidate phase lists, structural templates, or prior knowledge of phase number. We formulate multiphase diffraction analysis as a set prediction problem, where the model infers an unordered set of phase-resolved components, their mixture proportions, and corresponding structural representations within a unified architecture. A phase-query-driven decomposition mechanism, together with diffraction-consistent physical reconstruction, enables accurate source separation while preserving crystallographic fidelity. Extensive experiments on both simulated and experimental datasets show that XDecomposer substantially improves reconstruction accuracy and phase identification across diverse chemical systems, while maintaining strong generalization to unseen mixtures. These results provide a practical route toward data-driven, source-resolved multiphase XRD analysis and reduce long-standing dependence on prior-guided iteratively phase matching. The code is openly available at https://github.com/Licht0812/XDecomposer

cs.AI↗
arXiv2026

Efficient and Principled Scientific Discovery through Bayesian Optimization: A Tutorial

Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses critical insights. This tutorial presents Bayesian Optimisation (BO), a principled probability-driven framework that formalises and automates this core scientific cycle. BO uses surrogate models (e.g., Gaussian processes) to model empirical observations as evolving hypotheses, and acquisition functions to guide experiment selection, balancing exploitation of known knowledge and exploration of uncharted domains to eliminate guesswork and manual trial-and-error. We first frame scientific discovery as an optimisation problem, then unpack BO's core components, end-to-end workflows, and real-world efficacy via case studies in catalysis, materials science, organic synthesis, and molecule discovery. We also cover critical technical extensions for scientific applications, including batched experimentation, heteroscedasticity, contextual optimisation, and human-in-the-loop integration. Tailored for a broad audience, this tutorial bridges AI advances in BO with practical natural science applications, offering tiered content to empower cross-disciplinary researchers to design more efficient experiments and accelerate principled scientific discovery.

cs.LG↗
arXiv2026

OpenT2M: No-frill Motion Generation with Open-source,Large-scale, High-quality Data

Text-to-motion (T2M) generation aims to create realistic human movements from text descriptions, with promising applications in animation and robotics. Despite recent progress, current T2M models perform poorly on unseen text descriptions due to the small scale and limited diversity of existing motion datasets. To address this problem, we introduce OpenT2M, a million-level, high-quality, and open-source motion dataset containing over 2800 hours of human motion. Each sequence undergoes rigorous quality control through physical feasibility validation and multi-granularity filtering, with detailed second-wise text annotations. We also develop an automated pipeline for creating long-horizon sequences, enabling complex motion generation. Building upon OpenT2M, we introduce MonoFrill, a pretrained motion model that achieves compelling T2M results without complicated designs or technique tricks as "frills". Its core component is 2D-PRQ, a novel motion tokenizer that captures spatiotemporal dependencies by dividing the human body into biology parts. Experiments show that OpenT2M significantly improves generalization of existing T2M models, while 2D-PRQ achieves superior reconstruction and strong zero-shot performance. We expect OpenT2M and MonoFrill will advance the T2M field by addressing longstanding data quality and benchmarking challenges.

cs.CV↗
arXiv2026

FGTR: Fine-Grained Multi-Table Retrieval via Hierarchical LLM Reasoning

With the rapid advancement of large language models (LLMs), growing efforts have been made on LLM-based table retrieval. However, existing studies typically focus on single-table query, and implement it by similarity matching after encoding the entire table. These methods usually result in low accuracy due to their coarse-grained encoding which incorporates much query-irrelated data, and are also inefficient when dealing with large tables, failing to fully utilize the reasoning capabilities of LLM. Further, multi-table query is under-explored in retrieval tasks. To this end, we propose a hierarchical multi-table query method based on LLM: Fine-Grained Multi-Table Retrieval FGTR, a new retrieval paradigm that employs a human-like reasoning strategy. Through hierarchical reasoning, FGTR first identifies relevant schema elements and then retrieves the corresponding cell contents, ultimately constructing a concise and accurate sub-table that aligns with the given query. To comprehensively evaluate the performance of FGTR, we construct two new benchmark datasets based on Spider and BIRD . Experimental results show that FGTR outperforms previous state-of-the-art methods, improving the F_2 metric by 18% on Spider and 21% on BIRD, demonstrating its effectiveness in enhancing fine-grained retrieval and its potential to improve end-to-end performance on table-based downstream tasks.

cs.IR↗
arXiv2026

AI-Driven Structure Refinement of X-ray Diffraction

Artificial intelligence can rapidly propose candidate phases and structures from X-ray diffraction (XRD), but these hypotheses often fail in downstream refinement because peak intensities cannot be stably assigned under severe overlap and diffraction consistency is enforced only weakly. Here we introduce the whole-pattern expectation--maximization (WPEM) algorithm, a physics-constrained whole-pattern decomposition and refinement workflow that turns Bragg's law into an explicit constraint within a batch expectation--maximization framework. WPEM models the full profile as a probabilistic mixture density and iteratively infers component-resolved intensities while keeping peak centres Bragg-consistent, producing a continuous, physically admissible intensity representation that remains stable in heavily overlapped regions and in the presence of mixed radiation or multiple phases. We benchmark WPEM on standard reference patterns (PbSO$_4$ and Tb$_2$BaCoO$_5$), where it yields lower $R_p/R_{wp}$ than widely used packages (FullProf and TOPAS) under matched refinement conditions. We further demonstrate generality across realistic experimental scenarios, including phase-resolved decomposition in multiphase materials, quantitative recovery of mixture compositions, separation of crystalline peaks from amorphous backgrounds in semicrystalline systems, high-throughput operando lattice tracking, automated refinement of compositionally disordered solid solutions, and quantitative phase-resolved analysis of complex archaeological samples from synchrotron powder XRD. By providing Bragg-consistent, uncertainty-aware intensity partitioning as a refinement-ready interface, WPEM closes the gap between AI-generated hypotheses and diffraction-admissible structure refinement on challenging XRD data.

cond-mat.mtrl-sci↗
arXiv2026

Orthogonal Hierarchical Decomposition for Structure-Aware Table Understanding with Large Language Models

Complex tables with multi-level headers, merged cells and heterogeneous layouts pose persistent challenges for LLMs in both understanding and reasoning. Existing approaches typically rely on table linearization or normalized grid modeling. However, these representations struggle to explicitly capture hierarchical structures and cross-dimensional dependencies, which can lead to misalignment between structural semantics and textual representations for non-standard tables. To address this issue, we propose an Orthogonal Hierarchical Decomposition (OHD) framework that constructs structure-preserving input representations of complex tables for LLMs. OHD introduces an Orthogonal Tree Induction (OTI) method based on spatial--semantic co-constraints, which decomposes irregular tables into a column tree and a row tree to capture vertical and horizontal hierarchical dependencies, respectively. Building on this representation, we design a dual-pathway association protocol to symmetrically reconstruct semantic lineage of each cell, and incorporate an LLM as a semantic arbitrator to align multi-level semantic information. We evaluate OHD framework on two complex table question answering benchmarks, AITQA and HiTab. Experimental results show that OHD consistently outperforms existing representation paradigms across multiple evaluation metrics.

cs.CL↗
arXiv2026

Benchmarking Text-to-Python against Text-to-SQL: The Impact of Explicit Logic and Ambiguity

While Text-to-SQL remains the dominant approach for database interaction, real-world analytics increasingly require the flexibility of general-purpose programming languages such as Python or Pandas to manage file-based data and complex analytical workflows. Despite this growing need, the reliability of Text-to-Python in core data retrieval remains underexplored relative to the mature SQL ecosystem. To address this gap, we introduce BIRD-Python, a benchmark designed for cross-paradigm evaluation. We systematically refined the original dataset to reduce annotation noise and align execution semantics, thereby establishing a consistent and standardized baseline for comparison. Our analysis reveals a fundamental paradigmatic divergence: whereas SQL leverages implicit DBMS behaviors through its declarative structure, Python requires explicit procedural logic, making it highly sensitive to underspecified user intent. To mitigate this challenge, we propose the Logic Completion Framework (LCF), which resolves ambiguity by incorporating latent domain knowledge into the generation process. Experimental results show that (1) performance differences primarily stem from missing domain context rather than inherent limitations in code generation, and (2) when these gaps are addressed, Text-to-Python achieves performance parity with Text-to-SQL. These findings establish Python as a viable foundation for analytical agents-provided that systems effectively ground ambiguous natural language inputs in executable logical specifications. Resources are available at https://anonymous.4open.science/r/Bird-Python-43B7/.

cs.AI↗
arXiv2026

Bgolearn: a Unified Bayesian Optimization Framework for Accelerating Materials Discovery

Efficient exploration of vast compositional and processing spaces remains a major challenge in accelerated materials discovery. Bayesian optimization (BO) provides a principled approach to identify optimal materials with minimal experimentation, but its adoption has been limited by implementation complexity and a lack of domain-specific tools. Here, we present Bgolearn, a versatile Python framework that brings BO to materials research through intuitive interfaces, robust algorithms, and materials-focused workflows. Bgolearn supports single- and multi-objective optimization, multiple acquisition strategies, diverse surrogate models, and uncertainty quantification, enabling effective navigation of complex design spaces. Benchmark studies show that Bgolearn reduces experimental effort by 40-60\% compared with random search, grid search, and genetic algorithms, while achieving comparable or superior solution quality. Its effectiveness is demonstrated across case studies, including the discovery of maximum-elastic-modulus triply periodic minimal surface structures, ultra-high-hardness high-entropy alloys, and high-strength, high-ductility medium-Mn steels, and is further supported by numerous publications. With a modular architecture that integrates seamlessly into existing materials workflows and a graphical interface (BgoFace) that removes programming barriers, Bgolearn establishes a practical, reliable platform for Bayesian optimization in materials science. The software is openly available at https://github.com/Bin-Cao/Bgolearn.

cond-mat.mtrl-sci↗
arXiv2025

SGCR: A Specification-Grounded Framework for Trustworthy LLM Code Review

Automating code review with Large Language Models (LLMs) shows immense promise, yet practical adoption is hampered by their lack of reliability, context-awareness, and control. To address this, we propose Specification-Grounded Code Review (SGCR), a framework that grounds LLMs in human-authored specifications to produce trustworthy and relevant feedback. SGCR features a novel dual-pathway architecture: an explicit path ensures deterministic compliance with predefined rules derived from these specifications, while an implicit path heuristically discovers and verifies issues beyond those rules. Deployed in a live industrial environment at HiThink Research, SGCR's suggestions achieved a 42% developer adoption rate-a 90.9% relative improvement over a baseline LLM (22%). Our work demonstrates that specification-grounding is a powerful paradigm for bridging the gap between the generative power of LLMs and the rigorous reliability demands of software engineering.

cs.SE↗
arXiv2025

Robust Motion Generation using Part-level Reliable Data from Videos

Extracting human motion from large-scale web videos offers a scalable solution to the data scarcity issue in character animation. However, some human parts in many video frames cannot be seen due to off-screen captures or occlusions. It brings a dilemma: discarding the data missing any part limits scale and diversity, while retaining it compromises data quality and model performance. To address this problem, we propose leveraging credible part-level data extracted from videos to enhance motion generation via a robust part-aware masked autoregression model. First, we decompose a human body into five parts and detect the parts clearly seen in a video frame as "credible". Second, the credible parts are encoded into latent tokens by our proposed part-aware variational autoencoder. Third, we propose a robust part-level masked generation model to predict masked credible parts, while ignoring those noisy parts. In addition, we contribute K700-M, a challenging new benchmark comprising approximately 200k real-world motion sequences, for evaluation. Experimental results indicate that our method successfully outperforms baselines on both clean and noisy datasets in terms of motion quality, semantic consistency and diversity. Project page: https://boyuaner.github.io/ropar-main/

cs.CV↗
arXiv2025

HiveMind: Contribution-Guided Online Prompt Optimization of LLM Multi-Agent Systems

Recent advances in LLM-based multi-agent systems have demonstrated remarkable capabilities in complex decision-making scenarios such as financial trading and software engineering. However, evaluating each individual agent's effectiveness and online optimization of underperforming agents remain open challenges. To address these issues, we present HiveMind, a self-adaptive framework designed to optimize LLM multi-agent collaboration through contribution analysis. At its core, HiveMind introduces Contribution-Guided Online Prompt Optimization (CG-OPO), which autonomously refines agent prompts based on their quantified contributions. We first propose the Shapley value as a grounded metric to quantify each agent's contribution, thereby identifying underperforming agents in a principled manner for automated prompt refinement. To overcome the computational complexity of the classical Shapley value, we present DAG-Shapley, a novel and efficient attribution algorithm that leverages the inherent Directed Acyclic Graph structure of the agent workflow to axiomatically prune non-viable coalitions. By hierarchically reusing intermediate outputs of agents in the DAG, our method further reduces redundant computations, and achieving substantial cost savings without compromising the theoretical guarantees of Shapley values. Evaluated in a multi-agent stock-trading scenario, HiveMind achieves superior performance compared to static baselines. Notably, DAG-Shapley reduces LLM calls by over 80\% while maintaining attribution accuracy comparable to full Shapley values, establishing a new standard for efficient credit assignment and enabling scalable, real-world optimization of multi-agent collaboration.

cs.MA↗
arXiv2025

Distributed Integrated Sensing and Edge AI Exploiting Prior Information

This paper investigates a distributed ISEA system under a Bayesian framework, focusing on incorporating task-relevant priors to maximize inference performance. At the sensing level, an RWB estimator with a GM prior is designed. By weighting class-conditional posterior means with responsibilities, RWB effectively denoises features and outperforms ML at low SNR. At the communication level, two theoretical proxies are introduced: the computation-optimal and decision-optimal proxies. Optimal transceiver designs in terms of closed-form power allocation are derived for both TDM and FDM settings, revealing threshold-based and dual-decomposition structures. Results show that the discriminant-aware allocation yields additional inference gains.

eess.SP↗