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Yubin Wang

Publications and source records attributed to Yubin Wang.

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

The Endgame of FSDP Communication: Layout-Aware Collectives on Copy Engines, RDMA, and NVSwitch

Fully Sharded Data Parallelism (FSDP2) maintains parameters and gradients as per-parameter tensors, whereas its collective path operates on flat, rank-major buffers. Converting between these layouts copies all-gather outputs into parameter storage and packs gradients into full-group fp32 buffers. Layout conversion alone accounts for 6.4% of step time in Llama-3.1 70B training at 8K tokens per GPU. Communication kernels impose a second cost: a default NCCL reduce-scatter can slow a concurrent GEMM that would otherwise complete in a single wave by 69%. We present TIDE, a set of zero-copy collectives built on public NCCL 2.31+ APIs. TIDE preserves FSDP2's per-parameter storage and compute kernels while folding layout placement into collective addressing. TIDE-AG delivers shards directly to parameter storage using NVSwitch multicast and paced recursive-doubling RDMA, with no SMs used for transport or placement. TIDE-RS consumes per-parameter bf16 gradients directly and reduces them into fp32 shards (a mixed-precision mode that NCCL does not provide) using copy engines and short-lived thread blocks (CTAs) for node-local accumulation and NVSwitch for cross-node reduction. A two-phase pipeline separates gradient reads from network progress; Slot-Reuse optionally stages gradients in vacated all-gather slots. On 64 GPUs, TIDE reduces step time by up to 27.1% relative to Stock FSDP2 and 6.0% relative to FSDP2+SymmMem across Llama-3.1 70B, Wan2.2, and Qwen3-30B-A3B. It reduces reduce-scatter SM time by factors of 12.5-14.5 and cuts interference with concurrent compute by up to an order of magnitude. Its reduce-scatter buffer remains nearly constant from 16 to 64 GPUs at a fixed per-GPU output size, and its peak memory is up to 4.7 GiB below FSDP2+SymmMem's and, with Slot-Reuse on Wan2.2, below Stock FSDP2's.

cs.DC↗
arXiv2026

Judging in Latent Space: Efficient Generative Reward Modeling via Semantics-Preserving Compression

Reward modeling often requires jointly representing and reasoning over multiple evaluation criteria, yet verbalizing this process token by token can incur substantial inference cost. Recent work on latent reasoning suggests that continuous states may support this computation more compactly. We introduce LatentGRM, a latent evaluation framework built on semantic chunking, compression, and reconstruction. By using the structure of rubric-guided evaluations to guide compression, LatentGRM learns compact continuous trajectories that support autonomous pairwise judgments without generating textual assessments. A separate interpreter reconstructs evaluation text from these trajectories, providing an offline view of the information retained under compression. Under matched training data and backbones, LatentGRM achieves competitive aggregate preference accuracy relative to explicit Supervised Fine-Tuning (SFT) judges at both 4B and 8B scales. Across four benchmark domains, LatentGRM-8B compresses evaluation trajectories by 8.9--9.2x and reduces total judge inference time by 6.1--7.0x at vote@5. Controlled rubric interventions show that criterion-dependent preference information is carried through the latent sequence. Together, these results demonstrate that continuous latent evaluation can substantially reduce inference cost while preserving competitive judgment quality.

cs.CL↗
arXiv2026

Learning the Loop, Not Just the Page: Execution-Grounded Loop Learning for Web Generation

Functional Web generation is increasingly optimized with executable rewards, yet existing methods largely focus on the quality of the final page and leave the process of diagnosing and repairing imperfect implementations underexplored. We identify a central challenge in this setting: the Generator and Refiner produce executable artifacts with direct environment rewards, whereas the intermediate Critic influences downstream behavior without a directly executable outcome. We introduce WebLoop, an execution-grounded framework that jointly learns generation, critique, and refinement within a shared policy. WebLoop trains an execution-free Critic with complementary signals for requirement-level discriminability and downstream helpfulness, first establishing reliable diagnosis and then introducing consequence-aware credit, while all three roles are jointly optimized with group-relative policy learning. With Qwen3.5-9B, WebLoop reaches 41.5 Overall on WebRise and 38.9% accuracy on WebGen-Bench, improving the base model by 11.3 and 15.4 points, respectively. The gains transfer to first-pass generation, persist at 27B scale, and generalize from text-only training to multimodal inputs. Controlled analyses further show that the improvement cannot be explained by an additional refinement pass alone, highlighting the importance of learning the Critic and the loop itself.

cs.CL↗
arXiv2026

RIWANav: Recursive World-Action Models with Self-Improvement for Urban Navigation

Long-horizon urban navigation requires sequential local decisions whose errors can compound over time. Imitation learning (IL) rarely learns from failures, while physical trial-and-error reinforcement learning (RL) is costly. Action-conditioned world models can provide imagined feedback by predicting visual consequences for candidate actions. However, a frozen world model may become less reliable as the policy evolves. In this paper, we introduce RIWANAV, a post-training framework that casts the coupled adaptation of a world model and an action model (policy) as task-specific recursive self-improvement (RSI). Each cycle alternates two updates. The world model evaluates policy actions through imagined outcomes, providing comparative feedback for group-relative policy optimization (GRPO). The improved policy then constructs a grounded self-curriculum, selecting expert-consistent action-video pairs by behavioral novelty and prediction error. The refined world model supplies feedback for the next policy update, closing the recursive self-improvement loop. Experiments show that RIWANAV outperforms training baselines and prior methods, validating the proposed recursive self-improvement loop between the policy and world model. Real-world trials further demonstrate its practical applicability.

cs.RO↗
arXiv2026

WorldSolver: Can LLM Agents Simulate the Physical Dynamics via Solver Generation?

LLM-based agents are increasingly advancing scientific and engineering problem solving, with physics simulation emerging as a challenging yet practical testbed for reproducing complex physical phenomena with application in embodied AI, games and films. As the workhorse of such simulation, a solver computes how the state of a dynamic system evolves over time. Building such solvers requires physical understanding to identify appropriate models, mathematical reasoning to formulate the underlying dynamics, and software engineering to implement them as executable code, yet this capability of LLM agents remains underexplored. To this end, we introduce WorldSolver, a benchmark of 168 simulation tasks derived from physical phenomena in 61 classic computer graphics papers, spanning 7 physical domains. Each task contains a code scaffold that provides a fixed simulation environment for the scene, with the solver implementation left for the agent to complete. Specifically, we evaluate them along three dimensions: Execution Checks for successful execution, Visual Fidelity for reproducing the intended dynamic behavior in the rendered simulation, and Physical Plausibility for physics-grounded verification of the generated dynamics. Experiments on frontier agents reveal that producing executable solvers is difficult itself, and satisfying visual and physical correctness is even harder. GPT-5.6-Sol and Claude-Opus-5 perform comparatively better than the other evaluated agents, yet achieve overall scores of only 48.7% and 46.7%, respectively. WorldSolver is an early step toward agentic solver generation, and we hope it helps drive progress toward agents that can faithfully simulate the dynamic physical world. Code is available at https://github.com/sirujiang/WorldSolver.

cs.AI↗
arXiv2026

PreAct-Nav: Agentic Reasoning Before Action for Urban Navigation

Urban navigation requires embodied agents to pursue long-horizon goals through local decisions based on egocentric observations. However, existing agentic navigation methods often struggle to translate distant goals into coherent local decisions in large-scale physical environments. Their reliance on linguistic reasoning over transient observations or limited history constrains anticipation of the consequences of actions and future conditions, despite the importance of such foresight for navigating long and complex urban routes. To bridge this gap, we propose PreAct-Nav, an agentic navigation framework that equips frozen policies with anticipatory reasoning for robust urban navigation. Our central idea is to anchor local decisions in persistent medium-horizon subgoals, assess the consequences of predicted actions before execution, and continually update the reasoning context using actual outcomes. At its core, a navigation memory module maintains the active subgoal and relevant experience across decisions, translating distant goals into actionable intermediate objectives. We further introduce a predictive world sandbox that uses an action-conditioned world model (AC-WM) to forecast world dynamics conditioned on candidate movements. A vision-language model (VLM) reasoner interprets these predictions under the current subgoal to retain or revise actions. After execution, real observations are used to assess outcomes, correct inconsistent assumptions, and update memory to continue or reformulate the subgoal. Extensive evaluations demonstrate that the proposed PreAct-Nav improves action selection through memory updates and visual prediction, with more pronounced gains on longer routes and routes with more turns.

cs.RO↗
arXiv2026

RxnOptBench: Benchmarking LLMs for Reaction-Condition Optimization in Organic Methodology

Chemical reaction-condition optimization -- choosing the catalyst, ligand, solvent, reagent, temperature, time, and atmosphere that jointly maximize yield and stereoselectivity -- is a central, judgement-laden subtask of organic methodology research that large language models are increasingly expected to support. Yet existing chemistry benchmarks evaluate reaction-class labelling, retrosynthesis, or SMILES manipulation, and do not ask models to read a real condition-screening table and pick the best set. We introduce RxnOptBench, a benchmark whose every option and precedent is a real wet-lab entry mined from the optimization tables of organic-methodology papers published in 2025, graded by a continuous relative score derived from a declared headline utility that combines reported yield with enantiomeric excess (ee), diastereomeric ratio (dr), and regioisomeric ratio (rr), and equipped with a paired precedents-vs-no-precedents design that isolates in-context use of literature evidence from parametric memorization. Across nine frontier LLMs and three Chemistry LLMs, even the best models leave substantial headroom: chemistry-specialized models fall to the random-baseline floor on multi-axis selection, while open-weight models have closed most of the gap to proprietary frontier models. We release the final human-reviewed benchmark test set and evaluation code.

physics.chem-ph↗
arXiv2026

Tensor-Engineered Van der Waals NbOCl2 Resonant Metasurface for Polarization-entangled Bell State Generation

Polarization-entangled photon pairs are essential resources for quantum information technologies, yet realizing compact sources with intrinsically controllable entanglement remains challenging. Van der Waals (vdW) nonlinear materials such as NbOCl2 provide atomically thin platforms for quantum light generation, yet their native crystalline anisotropies as natural materials impose limitations on accessible quantum states. Here, we develop a resonant vdW nonlinear metasurface based on NbOCl2 that exploits its intrinsic optical anisotropy to engineer polarization-dependent nonlinear responses. The anisotropic optical dispersion enables selective manipulation of resonant modes, resulting in a three-order-of-magnitude enhancement of the nonlinear response along the c axis. By further tailoring these resonant modes, we redistribute the effective second-order nonlinear susceptibility tensor between orthogonal polarization channels, balancing the spontaneous parametric down-conversion pathways along the b and c axes. This enables polarization-entangled photon generation with a measured fidelity of up to 92%. Our work establishes metasurface-enabled nonlinear optical engineering as a strategy for enhancing and controlling quantum light generation in vdW materials, providing a pathway toward scalable quantum photonic platforms.

physics.optics↗
arXiv2026

Electrically reconfigurable dipolar polaritons with highly tunable nonlinearity in a homobilayer microcavity

Active control over optical nonlinearity in solid-state systems is central to unlocking exotic many-body phenomena and photonic devices. While exciton-polaritons in transition metal dichalcogenides (TMDs) offer a promising platform, their practical utility is impeded by fixed interactions and a trade-off between nonlinearity and oscillator strength. Here, we report electrically tunable dipolar polaritons in a dual-gated bilayer MoS2 microcavity, demonstrating in situ reshaping of the dispersion and modulation of the light-matter coupling strength via the quantum-confined Stark effect. Crucially, this electrical control yields a seven-fold enhancement of the polariton-polariton interaction strength. This enhancement arises from the combined tuning of the effective exciton-exciton interaction and the excitonic Hopfield coefficient. In addition, electrostatic doping provides an independent knob to continuously drive a strong-to-weak coupling crossover. Our findings establish dual-gated TMD homobilayer as a versatile platform for on-chip, dynamically reconfigurable nonlinear light-matter physics.

physics.optics↗
arXiv2026

Where to Look and What to Use: Retrieve-Localize-Generate for Long-Term Conversational Memory Question Answering

Retrieval-augmented generation (RAG) enables large language models (LLMs) to answer questions by accessing external knowledge and has been widely adopted for long-term conversational memory question answering. However, existing methods suffer from two key challenges: (1) fragmented evidence scattered across temporally distant sessions, and (2) noisy content within retrieved sessions that triggers the lost-in-the-middle effect. To address these challenges, we propose MemLoc, a unified Retrieve-Localize-Generate framework for long-term conversational memory QA. For retrieval, MemLoc decomposes each session into multi-granularity memory units and performs query routing via an inner-memory graph with entropy-based granularity selection. It further models cross-session semantic and temporal dependencies through a cross-memory graph, enabling coarse-to-fine retrieval of top-K relevant memory candidates. For localization, we introduce a reasoning-based evidence locator trained with Self-reflective Hint Policy Optimization (SHPO), which performs progressive refinement by extracting query-relevant fragments within memory units to suppress noise and reranking across candidates to remove redundancy, producing a compact evidence set with lightweight location IDs. For generation, these IDs act as precise grounding signals that guide the LLM to the correct memory positions, mitigating the lost-in-the-middle effect while preserving original contextual integrity. Extensive experiments on four benchmarks demonstrate that MemLoc achieves state-of-the-art retrieval accuracy and response quality while maintaining efficiency. Our code is available at: https://github.com/Nikol-coder/MemLoc.

cs.CL↗
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

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

Does Unification Come at a Cost? Uni-SafeBench: A Safety Benchmark for Unified Multimodal Large Models

Unified Multimodal Large Models (UMLMs) integrate understanding and generation capabilities within a single architecture. While unified architectures expand multimodal capabilities, their safety implications remain important yet underexplored. Existing safety benchmarks predominantly focus on isolated understanding or generation tasks, failing to evaluate the holistic safety of UMLMs when handling diverse tasks under a unified framework. To address this, we introduce Uni-SafeBench, a comprehensive benchmark featuring a taxonomy of six major safety categories across seven task types. To ensure rigorous assessment, we develop Uni-Judger, a framework that effectively decouples contextual safety from intrinsic safety. Based on comprehensive evaluations across Uni-SafeBench, we find that the original safety alignment of the underlying LLM is not consistently preserved in current unified models. Moreover, open-source UMLMs exhibit much lower safety performance than multimodal large models specialized for either generation or understanding tasks, particularly on the generation side.

cs.AI↗
arXiv2026

UserToolBench: A User-Profile-Hidden Benchmark for Personalized Decision Making in Tool-Use LLMs

Tool-use LLMs are increasingly asked to act on users' behalf, but existing benchmarks usually focus on profile recall, style imitation, generic tool use, or response-level personalization. We introduce UserToolBench , a benchmark for personalized decision making in tool-use LLMs. UserToolBench tests whether a model can infer latent user preferences from interaction history, recognize when clarification is needed, and produce user-aligned tool-call trajectories under incomplete information. The benchmark is built from privacy-sanitized real interaction traces and combines structured persona profiles, public API-style tool ecosystems, and long-horizon multi-turn trajectories. It includes 10 user profiles, 36 tool sets, 1,065 turns, 170 unique tools, and evaluation-focused task types covering lack-of-information, single-tool, and multi-tool settings. Experiments with strong tool-use LLMs show that current models still have difficulty with personalized delegation. Multi-tool coordination, missing-constraint inference, and long-horizon behavioral consistency remain major bottlenecks. These results suggest that personalization evaluation should move beyond asking whether outputs sound user-specific and instead ask whether LLMs make correct decisions for the users they represent.

cs.LG↗
arXiv2026

Sparse Evidence Can Suffice: Agentic Evidence Seeking for Multimodal Video Misinformation Detection

Multimodal video misinformation detection is commonly formulated as a holistic video-understanding task, where the entire video and its associated content are processed and judged in a single pass. However, real-world misinformation often exhibits a sparse and compositional evidence structure: a reliable decision may depend on only a few coupled clues, while most video content contributes limited additional information. Exhaustive multimodal reasoning may therefore introduce substantial redundancy and obscure decisive evidence. This motivates decoupling evidence acquisition from verification: first identifying sparse, decision-relevant clues and then judging veracity based on the acquired evidence. Accordingly, we propose SIEVE, a framework for Sparse Interactive Evidence Verification via Extraction in multimodal video misinformation detection. An evidence-seeking agent actively explores the available multimodal evidence and constructs a compact evidence package, which is then used by a verifier to determine veracity. The agent is trained with supervised evidence-seeking trajectories and an evidence-aware reinforcement learning objective that promotes informative evidence acquisition while discouraging unnecessary or invalid interactions. Experiments on multiple video misinformation benchmarks show that SIEVE consistently outperforms the evaluated baselines and supports reliable verification using compact evidence packages. Moreover, the resulting acquisition process provides an explicit and inspectable evidence trail, improving the transparency and groundedness of multimodal misinformation detection.

cs.CV↗
arXiv2026

Quantum enhancement and Doppler suppression of Kasevich-Chu atom interferometer with motional squeezing states

Hybridization of internal and external atomic degrees of freedom in a Kasevich-Chu interferometer enables the possibility to enhance the sensitivity significantly even under quantum-standard limit. By introducing motional squeezing state as an input, we systematically derive the computational framework of quantum and classical Fisher information of two measurement protocols for arbitrary strength of Doppler effects. Through maximizing the corresponding classical Fisher information, we obtain the optimal control parameters and the corresponding quantum Fisher information. For population measurement, the largest sensitivity can be as large as four times than the semi-classical limit through enlarging the atom coherence length. For joint measurement of population and position, the competition between quantum enhancement and Doppler suppression induces two three behaviors, in one regime, the quantum enhancement dominates even in presence of strong Doppler broadening effects where the sensitivity is significantly enhanced; while in another regime, an optimal squeezing parameter is observed where the classical Fisher information reaches the maximum. Our results clearly demonstrate the robustness of external quantum enhancement against Doppler suppression. Our proposal can be readily applied to gravimeter of mobile platform where decoherence from noise will damage the many-body entanglement of internal spin squeezing.

quant-ph↗
arXiv2026

WorldCoder-Bench: Benchmarking Physically Grounded 3D World Synthesis

Large language models (LLMs) are increasingly asked not only to write static interfaces, but to construct executable interactive worlds from natural language. Browser-native 3D, commonly built with Three.js, is a natural next frontier: generated programs must integrate assets, obey spatial and physical constraints, and keep user-facing controls synchronized with hidden runtime state. Existing web-generation benchmarks and evaluators, however, largely observe only pixels or DOM nodes, while the mechanics of a Three.js world unfold inside an opaque . We introduce WorldCoder-Bench, a benchmark for autonomous, physically grounded 3D world synthesis. WorldCoder-Bench contains 2,026 expert-curated tasks across Simulation, Rendering, and Application scenarios, with optional .glb assets and hidden behavioral contracts. We further propose StateProbe, an execution-based protocol that probes generated programs in a sandboxed browser and verifies hidden, mutation-hardened contracts over runtime states and transitions. Beyond verification coverage, we report Return on Automation and Time Efficiency Multiplier to measure correctness-adjusted cost and time savings. Across nine frontier models, the best system reaches only 27.8% verification coverage on WorldCoder-Core and 19.9% on WorldCoder-Robust, with failures dominated by state-schema drift and broken interaction chains rather than missing scene elements. Utility metrics further show that cheap or fast models can still provide substantial value on easier domains. WorldCoder-Bench is available at https://anonymous.4open.science/r/WorldCoder-Bench/.

cs.AI↗