arXiv subjects

Lijun Wu

Publications and source records attributed to Lijun Wu.

At least 19 recordsLinked to original sources

arXiv2026

Reaction precedents extend retrosynthetic prediction beyond training coverage

Reaction precedents guide retrosynthesis, but how far they can compensate for gaps in task-specific training coverage remains unclear. Using 2.71 million reactions, we restricted training and retrieval coverage by transformation or time, then expanded only the retrieval corpus with model parameters fixed. For transformations excluded from training, mean Top-1 accuracy increased from 13.0% to 58.0% on a historical test set and from 4.9% to 23.1% on a temporally held-out test set. For temporal coverage gaps, retrieval expansion enabled a model trained on records before 2017 to match or exceed a non-retrieval model trained on records before 2025 on both test sets. Without task-specific fine-tuning, precedents improved all 14 representative general-purpose models on both test sets and USPTO-50K; the strongest with precedents surpassed all eight representative specialized models. These findings show that inference-time reaction precedents can extend retrosynthetic prediction beyond task-specific training coverage without parameter updates.

cs.AI↗

arXiv2026

MedEvo: Medical Reasoning Evolution through Knowledge Navigation

Medical multimodal reasoning models are typically trained on teacher-generated rationales, discarding the valid reasoning in students' own failed trajectories, while general-domain correction methods offer little guidance for errors in image reading, anatomical context, or differential diagnosis. We propose MedEvo, which uses medical knowledge, namely a tag taxonomy and error-type diagnosis, to navigate both trajectory repair and data selection. For each failed rollout, a gold-blind auditor locates the first consequential error and provides a minimal, answer-free hint; the same student retains the valid prefix and regenerates the erroneous suffix. After each round, MedEvo identifies capability gaps across medical tags on a held-out feedback set and prioritizes related questions for new rollouts and repairs. With supervised fine-tuning (SFT) alone, MedEvo raises Qwen3.5-9B mean accuracy across seven benchmarks from 65.57% to 69.12% (47.40% to 54.50% on the multimodal track of MedXpertQA (MedXpertQA-MM)), surpassing teacher-distillation SFT (66.93%). It also raises Qwen3.5-35B and Qwen3.5-397B mean accuracy from 67.91% to 73.04% and from 71.83% to 74.95%, respectively. Our analyses show that failed trajectories contain reasoning worth preserving, that repair success does not imply learning value, and that independent feedback is key to sustained improvement.

cs.AI↗

arXiv2026

ECG-RSI: Recursive Self-Improvement through Targeted Electrocardiogram Waveform Evolution

Electrocardiogram (ECG) models need supervision that targets evolving weaknesses and remains faithful to waveform evidence. We introduce ECG-RSI, a recursive self-improvement framework combining verified waveform synthesis with feedback-guided intervention search. Signal remeasurement verifies waveform edits; construction errors guide generator repair, while learner errors motivate interventions compared on a separate selection set. Across seven benchmarks, three rounds raise Qwen3.5-35B-A3B's mean question-answering accuracy from 34.57% to 56.04% and mean classification F1 from 24.27 to 34.03. Across the retained trajectory, the preferred supervision shifts from direct reinforcement to confusion-focused contrasts. Continued feedback correction yields diminishing external gains. These results motivate separating error diagnosis from intervention selection and checking whether gains on the feedback set transfer to independent benchmarks.

cs.AI↗

arXiv2026

RxnExBench: Benchmarking Vision-Language Models for Structured Chemical Reaction Extraction from Scientific Literature

Screen Tables and Substrate Scopes are information-dense figures widely used in synthetic chemistry literature, yet automated extraction of structured reaction data from them remains challenging. We introduce RxnExBench, a multimodal benchmark for fine-grained reaction-level evaluation. Built from high-impact chemistry journals, it contains 3,565 expert-annotated reactions and 2,361 molecular structures. The dataset adopts a unified schema with 15 reaction roles and 26 core fields, supporting downstream AI-for-Chemistry tasks such as retrosynthetic planning, yield prediction, and reaction condition recommendation. RxnExBench further provides a reasoning-driven difficulty taxonomy, a modular annotation pipeline, and the Oracle-MolRec protocol, which disentangles molecular recognition from higher-level reasoning. Evaluation of 9 state-of-the-art VLMs shows that performance degrades substantially as schema complexity and reasoning demands increase. Under the Oracle-MolRec setting, results further reveal that accurate molecular recognition alone is insufficient, with multimodal integration and chemistry-aware reasoning remaining the primary bottlenecks. We release all data and code to facilitate future research in chemistry-aware multimodal understanding and AI-for-Chemistry dataset construction. The dataset and code will be released at https://github.com/opendatalab/RxnExBench.

cs.AI↗

arXiv2026

MMVistaReason: Toward Open-Data and Post-Training Recipes for Multimodal Reasoning

Open multimodal reasoning models have benefited from large-scale reasoning supervision, yet reliable post-training remains challenging due to uneven data quality, inefficient supervision construction, imbalanced difficulty, and cross-domain interference. We introduce MMVistaReason (MVR), an open-data post-training recipe with three components: (1) broader capability coverage across complementary Analytical and Real-World reasoning groups, emphasizing structured reasoning versus visual perception and spatial grounding; (2) efficient SFT and RL data construction, standardizing heterogeneous open data through staged cleaning and annotation, combining difficulty-aware cascaded teacher distillation with answer-likelihood-based trajectory selection to construct MVR-SFT-528K, and applying scale-specific frontier filtering for MVR-RL-63K; and (3) specialize-then-integrate training, which trains complementary RL experts and consolidates their capabilities through multi-teacher on-policy distillation (MOPD). Our analyses reveal a capacity-dependent interaction between supervision difficulty, trajectory quality, and model capacity: smaller students benefit more from selected supervision, while larger students are robust to trajectory variation and mixed-domain interference. Mixed-domain RL introduces benchmark-level negative transfer, whereas MOPD provides consistent capability integration, with the preferred KL direction varying across model scales. Across 15 multimodal benchmarks, MVR-4B achieves an average score of 72.8, outperforming Qwen3.5-9B (Instruct) and MMFineReason-8B while using about 70% fewer samples than MMFineReason. Scaling to 9B improves the average to 74.4, surpassing Qwen3.5-35B-A3B (Instruct). Overall, MMVistaReason demonstrates that systematic open-data construction and capacity-aware post-training provide a practical and scalable path toward reliable multimodal reasoning.

cs.CV↗

arXiv2026

From Trajectories to Grounded Preferences: Process Preference Synthesis via Interaction Element Graphs for Web PRMs

Comparative Process Reward Models (PRMs) provide critical step-level guidance for autonomous web agents by evaluating state-conditioned preferences between candidate actions. However, existing preference training data synthesized via multi-policy sampling suffers from a severe scarcity of Grounded Minimal Contrastive Pairs (GMCPs)-where competing candidates target genuine on-page elements with identical action types. In representative baselines preference data (namely, WebArbiter), GMCPs account for merely 24.19%, biasing PRMs during training to rely on shallow shortcuts (such as element hallucinations and action type mismatches) rather than acquiring genuine contextual decision semantics. To address these challenges, we propose SURFPRM, a graph-guided process preference synthesis framework for comparative Web PRMs. SURFPRM structures web demonstrations into a persistent Interaction Element Graph that acts as an environment-grounded negative action proposal mechanism, systematically synthesizing contrastive negative actions across spatial, temporal, and spatiotemporal confusion axes. This elevates the GMCP proportion from 24.19% to 74.60%, producing the curated SURFPRM-DATA dataset. Across six open-source backbones (3B to 9B parameters), PRMs trained on SURFPRM-DATA outperform baseline-trained models on average on WEBPRMBENCH and rival leading proprietary LLMs. In downstream reward-guided trajectory search on WEBARENA-LITE, SURFPRM provides step-level guidance for both GPT-4o (+14.21%) and GPT-4o-mini (+12.83%) policies, yielding substantial improvements in complex web task success rates.

cs.AI↗

arXiv2026

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↗

arXiv2026

SPARK: Skeleton-Guided Reasoning Synthesis from Large-Scale Scientific Literature

Scientific reasoning remains challenging for open-source models, largely due to the lack of high-quality scientific reasoning data. Existing datasets are often dominated by factual recall or formulaic problem solving, with limited emphasis on mechanism understanding, evidence-grounded reasoning, and hypothesis evaluation. To address this, we introduce SPARK (Scientific Paper Abstracted Reasoning sKeleton), a paper-oriented synthesis framework built on Sci-Base, a large-scale corpus of research papers spanning 10 scientific disciplines. Instead of directly converting papers into question-answer pairs, SPARK treats the claim-evidence-derivation structure of a paper as the fundamental unit of reasoning synthesis. Specifically, SPARK (1) distills each paper into a compact reasoning skeleton capturing its central claims and supporting evidence, enabling self-contained question generation, and (2) synthesizes reasoning tasks from four scientific perspectives: mechanistic reasoning, hypothesis falsification, quantitative derivation, and boundary calibration. A final consistency verification stage further removes unsupported or contradictory outputs. Using this framework, we construct Spark-234K, a scientific reasoning dataset with substantially higher difficulty and diversity than existing resources. Experiments show that Spark-234K consistently outperforms existing scientific reasoning datasets while achieving stronger performance with significantly fewer training samples.

cs.AI↗

arXiv2026

Scientific Graphics Program Synthesis via Dual Self-Consistency Reinforcement Learning

Graphics Program Synthesis is pivotal for interpreting and editing visual data, effectively facilitating the reverse-engineering of static visuals into editable TikZ code. While TikZ is the de facto standard for scientific schematics due to its programmatic flexibility, its requirement for rigorous spatial precision presents a significant challenge for Multimodal Large Language Models. Progress is currently stifled by two primary gaps: (1) Data Quality Gap: existing image-TikZ corpora often lack strict executability and reliable visual alignment; (2) Evaluation Gap: a lack of benchmarks for both structural and visual fidelity. To address these, we present a closed-loop framework featuring: SciTikZ-230K, a large-scale, high-quality dataset from our Execution-Centric Data Engine covering 11 diverse scientific disciplines; SciTikZ-Bench, a multifaceted benchmark spanning from basic geometric constructs to intricate hierarchical schematics to evaluate both visual fidelity and structural logic. To further broaden the scope of visual-code optimization methodology, we introduce a novel Dual Self-Consistency Reinforcement Learning optimization paradigm, which utilizes Round-Trip Verification to penalize degenerate code and boost overall self-consistency. Empowered by these, our trained model SciTikZer-8B achieves state-of-the-art performance, consistently outperforming proprietary giants like Gemini-2.5-Pro and massive models like Qwen3-VL-235B-A22B-Instruct.

cs.CV↗

arXiv2026

Scientific Image Synthesis: Benchmarking, Methodologies, and Downstream Utility

While synthetic data has proven effective for improving scientific reasoning in the text domain, multimodal reasoning remains constrained by the difficulty of synthesizing scientifically rigorous images. Existing Text-to-Image (T2I) models often produce outputs that are visually plausible yet scientifically incorrect, resulting in a persistent visual-logic divergence that limits their value for downstream reasoning. Motivated by recent advances in next-generation T2I models, we conduct a systematic study of scientific image synthesis across generation paradigms, evaluation, and downstream use. We analyze both direct pixel-based generation and programmatic synthesis, and propose ImgCoder, a logic-driven framework that follows an explicit "understand - plan - code" workflow to improve structural precision. To rigorously assess scientific correctness, we introduce SciGenBench, which evaluates generated images based on information utility and logical validity. Our evaluation reveals systematic failure modes in pixel-based models and highlights a fundamental expressiveness-precision trade-off. Finally, we show that fine-tuning Large Multimodal Models (LMMs) on rigorously verified synthetic scientific images yields consistent reasoning gains, with potential scaling trends analogous to the text domain, validating high-fidelity scientific synthesis as a viable path to unlocking massive multimodal reasoning capabilities.

cs.CV↗

arXiv2026

Benchmarking and Boosting Multilingual Capabilities of LVLMs via OCR-Centric Reinforcement Learning

Evaluating the multilingual capabilities of Large Vision-Language Models (LVLMs) remains challenging because most benchmarks rely on non-parallel corpora, making it unclear whether cross-lingual performance gaps reflect model limitations or dataset inconsistencies. To address this, we introduce PM4Bench, the first multimodal, multilingual, multi-task benchmark built on a strictly parallel 10-language corpus, enabling fair, apples-to-apples cross-lingual comparison of model performance. We further introduce a vision setting that embeds textual inputs directly into images, better approximating deployment scenarios where LVLM-driven agents interact with virtual or physical environments through unified visual observations. Experiments with 10 LVLMs reveal that OCR is a key factor behind cross-lingual disparity when textual content is rendered visually. Motivated by this, we design an OCR-centric GRPO training strategy using fully synthesized, label-free OCR data, without expensive task-specific VQA supervision. The resulting model improves general multilingual VQA capability, reduces cross-lingual disparities under the vision setting, and transfers gains beyond PM4Bench. This methodology offers an efficient, label-free pathway toward more equitable multilingual deployment of LVLM-driven agents.

cs.CV↗

arXiv2026

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↗

arXiv2026

InternReviewer & InternAdvocate: Objective Reward and Evaluation for Agentic Reinforcement Learning in Peer Review and Rebuttal

Generating professional scholarly content, such as peer reviews and rebuttals, requires an intricate synergy between domain reasoning and factual grounding. This work presents a comprehensive framework for the development and evaluation of specialized scholarly agents, InternReviewer and InternAdvocate. We first establish a large-scale, high-quality scholarly dataset and integrate a high-efficiency arXiv retrieval tool to enable active evidence gathering. To optimize these agents, we implement an agentic Reinforcement Learning (RL) paradigm driven by a unified objective metric and reward system. This system avoids the biases of subjective model-based judging by employing multi-dimensional criteria, including reference-anchored semantic alignment, structural compliance, and a strict verification mechanism that cross-checks citations against real-time interaction logs to eliminate hallucinations. Experimental results demonstrate that agents trained within this closed-loop framework exhibit significant improvements in reasoning depth and citation accuracy.

cs.AI↗

arXiv2026

BioMatrix: Towards a Comprehensive Biological Foundation Model Spanning the Modality Matrix of Sequences, Structures, and Language

We present BioMatrix, the first multimodal foundation model that natively integrates sequences, structures, and natural language for both molecules and proteins within a single decoder-only architecture. Existing biological foundation models pursue native multimodality and broad entity coverage separately: those that fuse multiple modalities under a shared objective remain confined to a single entity type, while those spanning multiple entity types either omit explicit structural modeling or rely on adapter-based designs in which the model cannot natively generate the very modalities it can read. BioMatrix closes this gap by mapping molecular sequences (supporting both SMILES and SELFIES notations), molecular structures, protein sequences, protein structures, and natural language into a shared discrete token space through a unified tokenization scheme, so that all modalities are consumed and produced uniformly under a single next-token prediction objective -- without external encoders, projection adapters, or modality-specific output heads. Built upon the Qwen3 language model (1.7B and 4B), BioMatrix is continually pretrained on 304.4 billion tokens spanning general and domain-specific text, sequence and structure views of molecules and proteins, and cross-modal corpora that interleave biomolecular entities with scientific text and link distinct entities through molecule-protein and protein-protein interaction data. After tuning on a comprehensive suite of downstream applications covering 80 tasks across 6 categories -- encompassing single-entity and multi-entity understanding and generation tasks across and within modalities -- BioMatrix achieves state-of-the-art or competitive performance on 77 out of 80 tasks, demonstrating that a single, natively multimodal generalist model can effectively match or surpass specialized approaches across a wide range of biological tasks.

cs.CL↗

arXiv2026

Pushing the Boundaries of Natural Reasoning: Interleaved Bonus from Formal-Logic Verification

Large Language Models (LLMs) show remarkable capabilities, yet their stochastic next-token prediction creates logical inconsistencies and reward hacking that formal symbolic systems avoid. To bridge this gap, we introduce a formal logic verification-guided framework that dynamically interleaves formal symbolic verification with the natural language generation process, providing real-time feedback to detect and rectify errors as they occur. Distinguished from previous neuro-symbolic methods limited by passive post-hoc validation, our approach actively penalizes intermediate fallacies during the reasoning chain. We operationalize this framework via a novel two-stage training pipeline that synergizes formal logic verification-guided supervised fine-tuning and policy optimization. Extensive evaluation on six benchmarks spanning mathematical, logical, and general reasoning demonstrates that our 7B and 14B models outperform state-of-the-art baselines by average margins of 10.4% and 14.2%, respectively. These results validate that formal verification can serve as a scalable mechanism to significantly push the performance boundaries of advanced LLM reasoning.

cs.LG↗

arXiv2026

ACC: Compiling Agent Trajectories for Long-Context Training

Recent development of agents has renewed demand for long-context reasoning capacity of LLMs. However, training LLMs for this capacity requires costly long-document curation or heuristic context synthesis. We observe that agents produce massive trajectories when solving problems, invoking tools and receiving environment observations across many turns. The evidence needed to answer the original question is thus scattered throughout these turns, requiring integration of distant context segments. Nevertheless, standard agent SFT masks tool responses and only trains turn-level tool selection, creating a supervision blind spot where these scattered signals go unused. We propose Agent Context Compilation (ACC), which converts trajectories from search, software engineering, and database querying agents into long-context QA pairs that combine the original question with tool responses and environment observations gathered across multiple turns, training the model to answer directly without tool use. This makes the dependencies between the question and the evidence explicit, enabling direct supervision of long-context reasoning over distant segments without additional annotation. ACC is a simple but effective approach that can be combined with any existing long-context extension or training method, providing scalable supervised fine-tuning data. We validate ACC on long-range dependency modeling tasks through MRCR and GraphWalks, challenging benchmarks requiring cross-turn coreference resolution and graph traversal over extended contexts. Training Qwen3-30B-A3B with ACC achieves 68.3 on MRCR (+18.1) and 77.5 on GraphWalks (+7.6), results comparable to Qwen3-235B-A22B, while preserving general capabilities on GPQA, MMLU-Pro, AIME, and IFEval. Further mechanism analysis reveals that the ACC-trained model exhibits task-adaptive attention restructuring and expert specialization.

cs.CL↗

arXiv2026

Multiferroicity in the two-dimensional limit in hexagonal LuFeO3 films

Multiferroic oxides, which combine coupled ferroelectric and magnetic orders, are central to understanding correlated quantum phenomena. Yet, as thickness approaches the two-dimensional (2D) limit, both ferroelectricity and magnetism are conventionally expected to vanish due to depolarization fields and finite-size effects, respectively. Here, we demonstrate that hexagonal LuFeO3 (h-LuFeO3) retains coupled ferroelectricity and magnetism at the 2D limit, with a thickness of just one and a half unit cells. Remarkably, the ferroelectric polarization remains comparable to bulk values at room temperature, while long-range magnetism and magnetoelectric coupling persist at low temperatures. We further show that the K3 phonon mode, which mediates the polarization-magnetism coupling, is stable down to the 2D limit. Our results establish h-LuFeO3 as the first oxide system to exhibit genuine 2D-limit multiferroicity, providing a fundamental breakthrough in the long-standing quest to understand and control coupled ferroic orders at the atomic scale.

cond-mat.mtrl-sci↗

arXiv2026

AMix-2: Establishing Protein as a Native Modality in Large Language Models

We present AMix-2, a protein-text foundation model that establishes protein as a native modality in large language models (LLMs), unifying protein understanding and sequence design within a single foundation model. AMix-2 is built upon two key ideas: (1) a unified protein-text formulation that embeds natural language and protein sequence in a shared token space, enabling one model to perform biological reasoning and conditional design instead of separate downstream task-specialized models; and (2) a block-wise diffusion language modeling backbone that combines causal generation across blocks with bidirectional context and iterative refinement within blocks. This scheme better matches the intrinsic nature of proteins than a strict left-to-right factorization. To evaluate protein foundation models under realistic generalization settings, we further introduce ProteinArena, a comprehensive benchmark with time-aware and homology-aware protocols across various understanding and design tasks, and with baselines covering classical bioinformatics tools, protein-specialized models and LLMs. On ProteinArena, AMix-2 outperforms frontier LLMs and demonstrates competitive performance to task-specific protein models. Controlled experiments further show that the diffusion-based paradigm generally surpasses its autoregressive counterpart, highlighting the advantage of flexible generation order for protein sequences. We release both AMix-2 and ProteinArena to facilitate open research in protein foundation models.

q-bio.BM↗