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Jingchao Wang

Publications and source records attributed to Jingchao Wang.

At least 19 recordsLinked to original sources

DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents

High-quality structured organic reaction data are essential for developing artificial intelligence for chemistry (AI4Chem), yet much of this knowledge remains dispersed across patent text, images, and reaction schemes. We present DianShi-RxnDB, a large-scale, fine-grained organic reaction data platform built via a fully automated extraction and normalization pipeline integrating patent text, images, and reaction schemes. Its corpus covers organic synthesis patents from the USPTO and EPO published between 1976 and 2025, yielding approximately 24 million reaction instances, of which approximately 14.8 million (61.7%) pass automated qualification checks. Each instance represents a specific single-step experiment recording participants, roles, quantities, temperatures, reaction times, yields, experimental procedures, and provenance links to source patents. In a manual evaluation of 1,300 sampled qualified instances, the micro-averaged field-level accuracy was 92.95%. A matched comparison with Pistachio further indicated advantages in deduplicated record counts, representation granularity, and field-level exact agreement. The platform provides a Web research workbench for searching, filtering, comparing, and source-verifying records, and a Model Context Protocol (MCP) service offering AI agents composable structured retrieval tools. DianShi-RxnDB is available at https://dianshi.opendatalab.org.cn/ .

cs.CL

TraceGrant: A Contract-Governed Security Framework for the Task-Effect Lifecycle of Networked LLM Agents

Networked large language model (LLM) agents retrieve information from email, cloud storage, calendars, transaction platforms, and Web services to complete multistep tasks that produce persistent external effects. The same content needed for legitimate execution may also contain indirect prompt injections that redirect tool use, alter sensitive arguments, or disrupt task completion. Existing defenses mainly constrain untrusted content or individual tool calls, leaving user intent, runtime evidence, realized effects, and task completion insufficiently connected. We present TraceGrant, a security framework that governs the task-effect lifecycle of networked LLM agents through an explicit Contract. Before execution, TraceGrant establishes a task-effect boundary from the trusted user request. During execution, admitted evidence can instantiate only authority already established by the Contract. After execution, task completion is verified against actual tool results. Across 949 AgentDojo and 400 Agent Security Bench attack cases under fixed benchmark settings, TraceGrant recorded no attack successes while retaining utility under attack rates of 77.32% and 83.00%, respectively. We further evaluate TraceGrant through white-box defense-aware attacks, Contract quality analysis, stage ablations, targeted stress tests, and runtime overhead measurements. The results show that TraceGrant provides a unified governance layer that connects trusted user intent, runtime evidence, concrete tool execution, and verified task completion.

cs.CR

MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition

In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagrams, and complex tables or figures. Such information is difficult for general-purpose document parsing systems to directly convert into machine-readable data. This limits data production for organic chemistry knowledge base construction and for AI for Chemistry tasks such as reaction prediction, retrosynthesis, condition recommendation, molecular property prediction, and drug molecule design. This report introduces MinerU-Chem, a document parsing system for organic chemistry literature integrated into the MinerU online platform. Built on top of MinerU's general document parsing pipeline, MinerU-Chem adds five chemistry-specific modules: chemistry relevance filtering, molecular structure detection, molecule identifier extraction, molecular structure recognition, and reaction scheme parsing. Together, these modules convert organic-chemistry-related image regions in documents into a Molecule Summary List and a Reaction Summary List. For molecular structure recognition, MinerU-Chem uses CARBON (Complex Atomic Representation and Bonding Object Notation) as its core representation. CARBON enables recognition results to preserve both the visual layout of the original image and complex chemical semantics, while supporting the export of standard downstream formats such as MolFile and SMILES. On the SMILES-evaluable subset of MolRecBench-Wild (N=2,392), MinerU-Chem's molecular structure recognition module achieves a SMILES exact-match accuracy of 93.02%, outperforming the best evaluated comparison system, GPT-5.6-Sol (74.87%), by 18.15 percentage points. The system has been integrated into the MinerU online platform and is available at https://mineru.net/OpenSourceTools/Extractor .

cs.CV

Diffusion Image Editing via Asynchronous Token Decoding

Text-guided diffusion image editing aims to modify semantic attributes of an image while preserving its identity, layout, and background. However, naïvely switching the text condition during sampling often causes global drift, as denoising dynamics propagate changes across tokens and can disrupt unedited regions. To address this issue, we propose \textbf{A}synchronous \textbf{T}oken \textbf{D}ecoding \textbf{Edit} (ATDEdit), an inference-time framework that views each sampler step as a parallel update of a globally coupled token matrix and enables token-indexed condition switching with differentiated update policies. Instead of applying synchronous target-conditioned updates to all tokens, ATDEdit estimates editable locations using token-wise conditional surprisal and applies target-conditioned corrections to the selected token set. It supplies source key/value memory at keep-token positions and projects selected keep-token latent rows back to their source values; these operations promote background preservation but do not constitute a pixel-level invariance guarantee. This approach combines local editing and background preservation without external or user-provided spatial masks and without model fine-tuning. On PIE-Bench, ATDEdit achieves the strongest reported preservation metrics, including 27.44~dB PSNR and 0.055 LPIPS, while retaining competitive semantic alignment.

cs.CV

Control-Diverse Reinforcement Fine-Tuning: Decoupling the Shared Control Bottleneck of RL Post-Training

Reinforcement learning post-training unlocks complex reasoning in LLMs. Yet benchmark scores reveal only whether a model improved, not what changed inside it, nor how it splits finite capability across tasks. A representative interpretability line attributes the success of RL fine-tuning to stronger and more diverse circuit activation. We challenge this activation-centered account by separating activation from control: an activated circuit need not control the post-training reward gain. Adapting Metabolic Control Analysis, we define the Post-training Control Coefficient to measure component control over reward gain and arrange these coefficients by task family into a control matrix, paired with an activation-magnitude matrix. We call cross-task control concentration the Shared Control Bottleneck and the difference between activation and control concentration the Activation-Control Gap. This reveals that highly shared activations can coexist with task-specific control, while a small gap indicates that control has collapsed onto a shared direction and lost task specificity. To reduce this collapse, we regularize the post-training loss with the Shared Control Bottleneck and propose Control-Diverse Reinforcement Fine-Tuning (CD-RFT). The exact regularizer gradient requires second-order automatic differentiation incompatible with flash attention, so we derive a first-order proxy with worst-case overhead below eight percent. On Qwen2.5-7B, CD-RFT achieves the largest control decoupling and improves multi-task capability over matched GRPO across mathematics, code, and logic. The no-KL variant leads on pass@1, and the KL-penalized variant leads on large-k pass@k coverage that KL otherwise degrades. Together, these results show that the Shared Control Bottleneck is both a mechanistic diagnostic and a training regularizer, and that control decoupling and capability gains transfer to Llama-3.2-3B.

cs.LG

RSRA: Training-Free Probing of Representation Sensitivity for Efficient LoRA Rank Allocation

Parameter-efficient fine-tuning enables large language models to adapt to downstream tasks with substantially lower computational and storage cost, and Low-Rank Adaptation (LoRA) is among its most widely used techniques. However, vanilla LoRA assigns a uniform rank to all adapted modules, while existing adaptive methods either incur additional optimization overhead or rely on static weights and local gradients that do not capture task-conditioned representation changes. We propose RSRA, a training-free rank allocator that estimates where adaptation capacity is most needed through forward-only representation sensitivity probing on a small calibration set. Specifically, RSRA uses Spectral Effective Rank to allocate capacity across layers, measures module-wise hidden-state displacement under standardized virtual low-rank updates with the Frechet Distance, and combines both signals through hierarchical normalization to produce a task-aware rank configuration before fine-tuning. Across commonsense reasoning and natural language understanding benchmarks with Qwen3-4B and Mistral-7B, RSRA achieves the highest average performance in all three reported model-benchmark settings and a 1.48x-1.93x speedup in allocation time over the fastest competing pre-allocation method. When integrated with DoRA, LoRA-FA, and PiSSA, RSRA improves 15 of the 18 evaluated combinations and increases the average performance of all three PEFT methods.

cs.CL

TCHG: Tri-Trust Conditioned Heterogeneous Graph Learning for Reliable Dynamic Trust Prediction

Trust prediction infers latent user-user trust relations and provides important support for social recommendation, fake-review and manipulation detection, and risk identification. Graph neural networks have become a prominent approach to trust prediction because of their ability to learn network structures and complex trust dependencies. However, existing methods often rely on a unified representation of trust signals and do not disentangle heterogeneous trust evidence into separate evidence channels, failing to exploit the distinct roles that different evidence channels should play during trust modeling. To address this gap, this paper argues that trust evidence should not be treated as an undifferentiated input, but should be decomposed and used as functional control factors over graph propagation. We propose TCHG, a tri-trust conditioned heterogeneous graph learning framework that decomposes trust evidence into three channels and assigns them distinct functional roles in propagation: entity reliability governs message admission, interaction-behavior reliability modulates propagation strength, and contextual trust adjusts the propagation mode through context-conditioned operator selection. Since the three evidence channels evolve at different temporal scales, TCHG maintains independent temporal states with non-uniform decay rates to prevent rapidly changing contextual signals from overwriting slowly accumulated entity reliability. It further predicts trust probability and calibrates the output probability, improving predictive confidence under sparse or conflicting evidence. Extensive experiments on multiple public trust datasets show that TCHG achieves effective and reliable trust prediction compared with representative trust prediction and heterogeneous graph baselines.

cs.LG

MolRecBench-Wild: A Real-World Benchmark for Optical Chemical Structure Recognition

Optical Chemical Structure Recognition (OCSR) aims to translate molecular diagrams in scientific literature into machine-readable formats, but current systems remain unreliable on real-world images due to substantial visual and chemical complexity. We introduce MOSAIC, a dual-dimensional difficulty framework with 37 fine-grained labels that jointly characterize visual interference and chemical semantic challenges in molecular diagrams. Based on this framework, we construct MolRecBench-Wild, a benchmark of 5,029 structures from 820 recent chemistry papers, covering the full difficulty spectrum observed in real publications. To enable faithful semantic evaluation beyond SMILES and MolFile, we propose CARBON, a representation language capable of expressing valence variations, icon-based groups, and other non-standard chemical semantics. We further adopt a dual-track evaluation protocol supporting both CARBON and SMILES outputs for broad model compatibility. Comprehensive experiments over 18 OCSR-capable models reveal severe performance degradation on MolRecBench-Wild, exposing a large gap between previous patent benchmarks and real-world academic scenarios.

cs.AI

TransSplat: Unbalanced Semantic Transport for Language-Driven 3DGS Editing

Language-driven 3D Gaussian Splatting (3DGS) editing provides a more convenient approach for modifying complex scenes in VR/AR. Standard pipelines typically adopt a two-stage strategy: first editing multiple 2D views, and then optimizing the 3D representation to match these edited observations. Existing methods mainly improve view consistency through multi-view feature fusion, attention filtering, or iterative recalibration. However, they fail to explicitly address a more fundamental issue: the semantic correspondence between edited 2D evidence and 3D Gaussians. To tackle this problem, we propose TransSplat, which formulates language-driven 3DGS editing as a multi-view unbalanced semantic transport problem. Specifically, our method establishes correspondences between visible Gaussians and view-specific editing prototypes, thereby explicitly characterizing the semantic relationship between edited 2D evidence and 3D Gaussians. It further recovers a cross-view shared canonical 3D edit field to guide unified 3D appearance updates. In addition, we use transport residuals to suppress erroneous edits in non-target regions, mitigating edit leakage and improving local control precision. Qualitative and quantitative results show that, compared with existing 3D editing methods centered on enhancing view consistency, TransSplat achieves superior performance in local editing accuracy and structural consistency.

cs.CV

CoCo-SAM3: Harnessing Concept Conflict in Open-Vocabulary Semantic Segmentation

SAM3 advances open-vocabulary semantic segmentation by introducing a prompt-driven mask generation paradigm. However, in multi-class open-vocabulary scenarios, masks generated independently from different category prompts lack a unified and inter-class comparable evidence scale, often resulting in overlapping coverage and unstable competition. Moreover, synonymous expressions of the same concept tend to activate inconsistent semantic and spatial evidence, leading to intra-class drift that exacerbates inter-class conflicts and compromises overall inference stability. To address these issues, we propose CoCo-SAM3 (Concept-Conflict SAM3), which explicitly decouples inference into intra-class enhancement and inter-class competition. Our method first aligns and aggregates evidence from synonymous prompts to strengthen concept consistency. It then performs inter-class competition on a unified comparable scale, enabling direct pixel-wise comparisons among all candidate classes. This mechanism stabilizes multi-class inference and effectively mitigates inter-class conflicts. Without requiring any additional training, CoCo-SAM3 achieves consistent improvements across eight open-vocabulary semantic segmentation benchmarks.

cs.CV

MMErroR: A Benchmark for Erroneous Reasoning in Vision-Language Models

Recent advances in Vision-Language Models (VLMs) have improved performance in multi-modal learning, raising the question of whether these models truly understand the content they process. Crucially, can VLMs detect when a reasoning process is wrong and identify its error type? To answer this, we present MMErroR, a multi-modal benchmark of 1997 samples, each embedding a single coherent reasoning error. These samples span 24 subdomains across six top-level domains, ensuring broad coverage and taxonomic richness. Unlike existing benchmarks that focus on answer correctness, MMErroR targets a process-level, error-centric evaluation that requires models to detect incorrect reasoning and classify the error type within both visual and linguistic contexts. We evaluate 12 representative VLMs, and even the best model, Gemini-3-Pro-Preview, classifies the error correctly in only 66.65\% of cases, underscoring the challenge of identifying erroneous reasoning. Furthermore, the ability to accurately identify errors offers valuable insights into the capabilities of multi-modal models. Project Page: https://mmerror-benchmark.github.io

cs.CV

VPTracker: Global Vision-Language Tracking via Visual Prompt

Vision-Language Tracking aims to continuously localize objects described by a visual template and a language description. Existing methods, however, are typically limited to local search, making them prone to failures under viewpoint changes, occlusions, and rapid target movements. In this work, we introduce the first global tracking framework based on Multimodal Large Language Models (VPTracker), exploiting their powerful semantic reasoning to locate targets across the entire image space. While global search improves robustness and reduces drift, it also introduces distractions from visually or semantically similar objects. To address this, we propose a location-aware visual prompting mechanism that incorporates spatial priors into the MLLM. Specifically, we construct a region-level prompt based on the target's previous location, enabling the model to prioritize region-level recognition and resort to global inference only when necessary. This design retains the advantages of global tracking while effectively suppressing interference from distracting visual content. Extensive experiments show that our approach significantly enhances tracking stability and target disambiguation under challenging scenarios, opening a new avenue for integrating MLLMs into visual tracking. Code is available at https://github.com/jcwang0602/VPTracker.

cs.CV

ChordEdit: One-Step Low-Energy Transport for Image Editing

The advent of one-step text-to-image (T2I) models offers unprecedented synthesis speed. However, their application to text-guided image editing remains severely hampered, as forcing existing training-free editors into a single inference step fails. This failure manifests as severe object distortion and a critical loss of consistency in non-edited regions, resulting from the high-energy, erratic trajectories produced by naive vector arithmetic on the models' structured fields. To address this problem, we introduce ChordEdit, a model agnostic, training-free, and inversion-free method that facilitates high-fidelity one-step editing. We recast editing as a transport problem between the source and target distributions defined by the source and target text prompts. Leveraging dynamic optimal transport theory, we derive a principled, low-energy control strategy. This strategy yields a smoothed, variance-reduced editing field that is inherently stable, facilitating the field to be traversed in a single, large integration step. A theoretically grounded and experimentally validated approach allows ChordEdit to deliver fast, lightweight and precise edits, finally achieving true real-time editing on these challenging models.

cs.CV

Riemannian Liquid Spatio-Temporal Graph Network

Liquid Time-Constant networks (LTCs), a type of continuous-time graph neural network, excel at modeling irregularly-sampled dynamics but are fundamentally confined to Euclidean space. This limitation introduces significant geometric distortion when representing real-world graphs with inherent non-Euclidean structures (e.g., hierarchies and cycles), degrading representation quality. To overcome this limitation, we introduce the Riemannian Liquid Spatio-Temporal Graph Network (RLSTG), a framework that unifies continuous-time liquid dynamics with the geometric inductive biases of Riemannian manifolds. RLSTG models graph evolution through an Ordinary Differential Equation (ODE) formulated directly on a curved manifold, enabling it to faithfully capture the intrinsic geometry of both structurally static and dynamic spatio-temporal graphs. Moreover, we provide rigorous theoretical guarantees for RLSTG, extending stability theorems of LTCs to the Riemannian domain and quantifying its expressive power via state trajectory analysis. Extensive experiments on real-world benchmarks demonstrate that, by combining advanced temporal dynamics with a Riemannian spatial representation, RLSTG achieves superior performance on graphs with complex structures. Project Page: https://rlstg.github.io

cs.LG

GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition

Optical Chemical Structure Recognition (OCSR) is essential for converting molecular images into machine-readable formats. While recent vision-language models (VLMs) have shown promise, their image-captioning approach often struggles with complex molecular structures and inconsistent annotations. To address these issues, we introduce GTR-VL, featuring two key innovations: (1) the \textit{Graph Traversal as Visual Chain of Thought} mechanism that emulates human reasoning by incrementally parsing molecular graphs through sequential atom-bond predictions, and (2) the data-centric \textit{Faithfully Recognize What You've Seen} principle, which aligns abbreviated structures in images with their expanded annotations. For hand-drawn OCSR tasks, where datasets lack graph annotations and only provide final SMILES, we apply reinforcement learning using the GRPO method, introducing reward mechanisms like format reward, graph reward, and SMILES reward. This approach significantly enhances performance in hand-drawn recognition tasks through weak supervision. We developed GTR-1.3M, a large-scale instruction-tuning dataset with corrected annotations, and MolRec-Bench, the first benchmark for fine-grained evaluation of graph-parsing accuracy in OCSR. Our two-stage training scheme involves SFT training for printed images and the GRPO method for transferring capabilities to hand-drawn tasks. Experiments show that GTR-VL outperforms specialist models, chemistry-domain VLMs, and commercial VLMs on both printed and hand-drawn datasets.

cs.AI

PR-CapsNet: Pseudo-Riemannian Capsule Network with Adaptive Curvature Routing for Graph Learning

Capsule Networks (CapsNets) show exceptional graph representation capacity via dynamic routing and vectorized hierarchical representations, but they model the complex geometries of real\-world graphs poorly by fixed\-curvature space due to the inherent geodesical disconnectedness issues, leading to suboptimal performance. Recent works find that non\-Euclidean pseudo\-Riemannian manifolds provide specific inductive biases for embedding graph data, but how to leverage them to improve CapsNets is still underexplored. Here, we extend the Euclidean capsule routing into geodesically disconnected pseudo\-Riemannian manifolds and derive a Pseudo\-Riemannian Capsule Network (PR\-CapsNet), which models data in pseudo\-Riemannian manifolds of adaptive curvature, for graph representation learning. Specifically, PR\-CapsNet enhances the CapsNet with Adaptive Pseudo\-Riemannian Tangent Space Routing by utilizing pseudo\-Riemannian geometry. Unlike single\-curvature or subspace\-partitioning methods, PR\-CapsNet concurrently models hierarchical and cluster or cyclic graph structures via its versatile pseudo\-Riemannian metric. It first deploys Pseudo\-Riemannian Tangent Space Routing to decompose capsule states into spherical\-temporal and Euclidean\-spatial subspaces with diffeomorphic transformations. Then, an Adaptive Curvature Routing is developed to adaptively fuse features from different curvature spaces for complex graphs via a learnable curvature tensor with geometric attention from local manifold properties. Finally, a geometric properties\-preserved Pseudo\-Riemannian Capsule Classifier is developed to project capsule embeddings to tangent spaces and use curvature\-weighted softmax for classification. Extensive experiments on node and graph classification benchmarks show PR\-CapsNet outperforms SOTA models, validating PR\-CapsNet's strong representation power for complex graph structures.

cs.LG

DynCIM: Dynamic Curriculum for Imbalanced Multimodal Learning

Multimodal learning integrates complementary information from diverse modalities to enhance the decision-making process. However, the potential of multimodal collaboration remains under-exploited due to disparities in data quality and modality representation capabilities. To address this, we introduce DynCIM, a novel dynamic curriculum learning framework designed to quantify the inherent imbalances from both sample and modality perspectives. DynCIM employs a sample-level curriculum to dynamically assess each sample's difficulty according to prediction deviation, consistency, and stability, while a modality-level curriculum measures modality contributions from global and local. Furthermore, a gating-based dynamic fusion mechanism is introduced to adaptively adjust modality contributions, minimizing redundancy and optimizing fusion effectiveness. Extensive experiments on six multimodal benchmarking datasets, spanning both bimodal and trimodal scenarios, demonstrate that DynCIM consistently outperforms state-of-the-art methods. Our approach effectively mitigates modality and sample imbalances while enhancing adaptability and robustness in multimodal learning tasks. Our code is available at https://github.com/Raymond-Qiancx/DynCIM.

cs.CV

A Simple and Better Baseline for Visual Grounding

Visual grounding aims to predict the locations of target objects specified by textual descriptions. For this task with linguistic and visual modalities, there is a latest research line that focuses on only selecting the linguistic-relevant visual regions for object localization to reduce the computational overhead. Albeit achieving impressive performance, it is iteratively performed on different image scales, and at every iteration, linguistic features and visual features need to be stored in a cache, incurring extra overhead. To facilitate the implementation, in this paper, we propose a feature selection-based simple yet effective baseline for visual grounding, called FSVG. Specifically, we directly encapsulate the linguistic and visual modalities into an overall network architecture without complicated iterative procedures, and utilize the language in parallel as guidance to facilitate the interaction between linguistic modal and visual modal for extracting effective visual features. Furthermore, to reduce the computational cost, during the visual feature learning, we introduce a similarity-based feature selection mechanism to only exploit language-related visual features for faster prediction. Extensive experiments conducted on several benchmark datasets comprehensively substantiate that the proposed FSVG achieves a better balance between accuracy and efficiency beyond the current state-of-the-art methods. Code is available at https://github.com/jcwang0602/FSVG.

cs.CV