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AI4S-SDS: A Neuro-Symbolic Solvent Design System via Sparse MCTS and Differentiable Physics Alignment

arXiv:2603.03686v1 Announce Type: new Abstract: Automated design of chemical formulations is a cornerstone of materials science, yet it requires navigating a high-dimensional combinatorial space involving discrete compositional choices and continuous geometric constraints. Existing Large Language Model (LLM) agents face significant challenges in this setting, including context window limitations during long-horizon reasoning and path-dependent exploration that may lead to mode collapse. To address these issues, we introduce AI4S-SDS, a closed-loop neuro-symbolic framework that integrates multi-agent collaboration with a tailored Monte Carlo Tree Search (MCTS) engine. We propose a Sparse State Storage mechanism with Dynamic Path Reconstruction, which decouples reasoning history from context length and enables arbitrarily deep exploration under fixed token budgets. To reduce local convergence and improve coverage, we implement a Global--Local Search Strategy: a memory-driven planning module adaptively reconfigures the search root based on historical feedback, while a Sibling-Aware Expansion mechanism promotes orthogonal exploration at the node level. Furthermore, we bridge symbolic reasoning and physical feasibility through a Differentiable Physics Engine, employing a hybrid normalized loss with sparsity-inducing regularization to optimize continuous mixing ratios under thermodynamic constraints. Empirical results show that AI4S-SDS achieves full validity under the adopted HSP-based physical constraints and substantially improves exploration diversity compared to baseline agents. In preliminary lithography experiments, the framework identifies a novel photoresist developer formulation that demonstrates competitive or superior performance relative to a commercial benchmark, highlighting the potential of diversity-driven neuro-symbolic search for scientific discovery.

Specification-Driven Generation and Evaluation of Discrete-Event World Models via the DEVS Formalism

arXiv:2603.03784v1 Announce Type: new Abstract: World models are essential for planning and evaluation in agentic systems, yet existing approaches lie at two extremes: hand-engineered simulators that offer consistency and reproducibility but are costly to adapt, and implicit neural models that are flexible but difficult to constrain, verify, and debug over long horizons. We seek a principled middle ground that combines the reliability of explicit simulators with the flexibility of learned models, allowing world models to be adapted during online execution. By targeting a broad class of environments whose dynamics are governed by the ordering, timing, and causality of discrete events, such as queueing and service operations, embodied task planning, and message-mediated multi-agent coordination, we advocate explicit, executable discrete-event world models synthesized directly from natural-language specifications. Our approach adopts the DEVS formalism and introduces a staged LLM-based generation pipeline that separates structural inference of component interactions from component-level event and timing logic. To evaluate generated models without a unique ground truth, simulators emit structured event traces that are validated against specification-derived temporal and semantic constraints, enabling reproducible verification and localized diagnostics. Together, these contributions produce world models that are consistent over long-horizon rollouts, verifiable from observable behavior, and efficient to synthesize on demand during online execution.

UniG2U-Bench: Do Unified Models Advance Multimodal Understanding?

arXiv:2603.03241v1 Announce Type: cross Abstract: Unified multimodal models have recently demonstrated strong generative capabilities, yet whether and when generation improves understanding remains unclear. Existing benchmarks lack a systematic exploration of the specific tasks where generation facilitates understanding. To this end, we introduce UniG2U-Bench, a comprehensive benchmark categorizing generation-to-understanding (G2U) evaluation into 7 regimes and 30 subtasks, requiring varying degrees of implicit or explicit visual transformations. Extensive evaluation of over 30 models reveals three core findings: 1) Unified models generally underperform their base Vision-Language Models (VLMs), and Generate-then-Answer (GtA) inference typically degrades performance relative to direct inference. 2) Consistent enhancements emerge in spatial intelligence, visual illusions, or multi-round reasoning subtasks, where enhanced spatial and shape perception, as well as multi-step intermediate image states, prove beneficial. 3) Tasks with similar reasoning structures and models sharing architectures exhibit correlated behaviors, suggesting that generation-understanding coupling induces class-consistent inductive biases over tasks, pretraining data, and model architectures. These findings highlight the necessity for more diverse training data and novel paradigms to fully unlock the potential of unified multimodal modeling.

Leverage Knowledge Graph and Large Language Model for Law Article Recommendation: A Case Study of Chinese Criminal Law

arXiv:2410.04949v3 Announce Type: replace-cross Abstract: Judicial efficiency is critical to social stability. However, in many countries worldwide, grassroots courts face substantial case backlogs, and judicial decisions remain heavily dependent on judges' cognitive efforts, with insufficient intelligent tools to enhance efficiency. To address this issue, we propose a highly efficient law article recommendation approach combining a Knowledge Graph (KG) and a Large Language Model (LLM). First, we construct a Case-Enhanced Law Article Knowledge Graph (CLAKG) to store current law articles, historical case information, and their interconnections, alongside an LLM-based automated construction method. Building on this, we propose a closed-loop law article recommendation framework integrating graph embedding-based retrieval and KG-grounded LLM reasoning. Experiments on judgment documents from China Judgments Online demonstrate that our method boosts law article recommendation accuracy from 0.549 to 0.694, outperforming strong baselines significantly. To support reproducibility and future research, all source code and processed datasets are publicly available on GitHub (see Data Availability Statement).

xLLM Technical Report

arXiv:2510.14686v2 Announce Type: replace-cross Abstract: We introduce xLLM, an intelligent and efficient Large Language Model (LLM) inference framework designed for high-performance, large-scale enterprise-grade serving, with deep optimizations for diverse AI accelerators. To address these challenges, xLLM builds a novel decoupled service-engine architecture. At the service layer, xLLM-Service features an intelligent scheduling module that efficiently processes multimodal requests and co-locates online and offline tasks through unified elastic scheduling to maximize cluster utilization. This module also relies on a workload-adaptive dynamic Prefill-Decode (PD) disaggregation policy and a novel Encode-Prefill-Decode (EPD) disaggregation policy designed for multimodal inputs. Furthermore, it incorporates a distributed architecture to provide global KV Cache management and robust fault-tolerant capabilities for high availability. At the engine layer, xLLM-Engine co-optimizes system and algorithm designs to fully saturate computing resources. This is achieved through comprehensive multi-layer execution pipeline optimizations, an adaptive graph mode and an xTensor memory management. xLLM-Engine also further integrates algorithmic enhancements such as optimized speculative decoding and dynamic EPLB, collectively serving to substantially boost throughput and inference efficiency. Extensive evaluations demonstrate that xLLM delivers significantly superior performance and resource efficiency. Under identical TPOT constraints, xLLM achieves throughput up to 1.7x that of MindIE and 2.2x that of vLLM-Ascend with Qwen-series models, while maintaining an average throughput of 1.7x that of MindIE with Deepseek-series models. xLLM framework is publicly available at https://github.com/jd-opensource/xllm and https://github.com/jd-opensource/xllm-service.

DeepXiv-SDK: An Agentic Data Interface for Scientific Literature

arXiv:2603.00084v2 Announce Type: replace-cross Abstract: LLM-agents are increasingly used to accelerate the progress of scientific research. Yet a persistent bottleneck is data access: agents not only lack readily available tools for retrieval, but also have to work with unstrcutured, human-centric data on the Internet, such as HTML web-pages and PDF files, leading to excessive token consumption, limit working efficiency, and brittle evidence look-up. This gap motivates the development of \textit{an agentic data interface}, which is designed to enable agents to access and utilize scientific literature in a more effective, efficient, and cost-aware manner. In this paper, we introduce DeepXiv-SDK, which offers a three-layer agentic data interface for scientific literature. 1) Data Layer, which transforms unstructured, human-centric data into normalized and structured representations in JSON format, improving data usability and enabling progressive accessibility of the data. 2) Service Layer, which presents readily available tools for data access and ad-hoc retrieval. It also enables a rich form of agent usage, including CLI, MCP, and Python SDK. 3) Application Layer, which creates a built-in agent, packaging basic tools from the service layer to support complex data access demands. DeepXiv-SDK currently supports the complete ArXiv corpus, and is synchronized daily to incorporate new releases. It is designed to extend to all common open-access corpora, such as PubMed Central, bioRxiv, medRxiv, and chemRxiv. We release RESTful APIs, an open-source Python SDK, and a web demo showcasing deep search and deep research workflows. DeepXiv-SDK is free to use with registration.

Efficient endometrial carcinoma screening via cross-modal synthesis and gradient distillation

arXiv:2602.19822v1 Announce Type: cross Abstract: Early detection of myometrial invasion is critical for the staging and life-saving management of endometrial carcinoma (EC), a prevalent global malignancy. Transvaginal ultrasound serves as the primary, accessible screening modality in resource-constrained primary care settings; however, its diagnostic reliability is severely hindered by low tissue contrast, high operator dependence, and a pronounced scarcity of positive pathological samples. Existing artificial intelligence solutions struggle to overcome this severe class imbalance and the subtle imaging features of invasion, particularly under the strict computational limits of primary care clinics. Here we present an automated, highly efficient two-stage deep learning framework that resolves both data and computational bottlenecks in EC screening. To mitigate pathological data scarcity, we develop a structure-guided cross-modal generation network that synthesizes diverse, high-fidelity ultrasound images from unpaired magnetic resonance imaging (MRI) data, strictly preserving clinically essential anatomical junctions. Furthermore, we introduce a lightweight screening network utilizing gradient distillation, which transfers discriminative knowledge from a high-capacity teacher model to dynamically guide sparse attention towards task-critical regions. Evaluated on a large, multicenter cohort of 7,951 participants, our model achieves a sensitivity of 99.5\%, a specificity of 97.2\%, and an area under the curve of 0.987 at a minimal computational cost (0.289 GFLOPs), substantially outperforming the average diagnostic accuracy of expert sonographers. Our approach demonstrates that combining cross-modal synthetic augmentation with knowledge-driven efficient modeling can democratize expert-level, real-time cancer screening for resource-constrained primary care settings.

Diversity-Incentivized Exploration for Versatile Reasoning

arXiv:2509.26209v2 Announce Type: replace Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a crucial paradigm for incentivizing reasoning capabilities in Large Language Models (LLMs). Due to vast state-action spaces and reward sparsity in reasoning tasks, existing methods often struggle with deficient exploration and poor sample efficiency. In the paper, we propose \textbf{DIVER} (\textbf{D}iversity-\textbf{I}ncentivized Exploration for \textbf{V}ersatil\textbf{E} \textbf{R}easoning), an innovative framework that highlights the pivotal role of global sequence-level diversity to incentivize deep exploration for versatile reasoning. We first conduct a primary empirical study to reveal a strong positive correlation between global diversity and reasoning capacity. Building on this insight, we introduce global diversity incentives as an intrinsic reward to promote deep exploration in a semantically structured space. Incorporating the intrinsic reward, we develop a potential-based reward shaping mechanism to preserve optimal policy invariance and design simple heuristics to mitigate possible reward hacking. Experimental results show that DIVER outperforms competitive RLVR baselines with various exploration strategies on both in-domain and out-of-domain tasks, excelling in both Pass@1 and Pass@k evaluations. Our code is available at https://github.com/NJU-RL/DIVER.

Dialogue is Better Than Monologue: Instructing Medical LLMs via Strategical Conversations

arXiv:2501.17860v2 Announce Type: replace-cross Abstract: Current medical AI systems often fail to replicate real-world clinical reasoning, as they are predominantly trained and evaluated on static text and question-answer tasks. These tuning methods and benchmarks overlook critical aspects like evidence-based reasoning and handling distracting information. To bridge this gap, we introduce a novel benchmark that simulates real-world diagnostic scenarios, integrating noise and difficulty levels aligned with USMLE standards. Moreover, we explore dialogue-based fine-tuning, which transforms static datasets into conversational formats to better capture iterative reasoning processes. Experiments show that dialogue-tuned models outperform traditional methods, with improvements of $9.64\%$ in multi-round reasoning scenarios and $6.18\%$ in accuracy in a noisy environment. Our findings highlight dialogue tuning as a promising approach for advancing clinically aligned and robust medical AI systems.

STaRR: Spatial-Temporal Token-Dynamics-Aware Responsive Remasking for Diffusion Language Models

arXiv:2601.04205v2 Announce Type: replace-cross Abstract: Diffusion Language Models (DLMs) enable parallel decoding via iterative denoising, where remasking strategies play a critical role in balancing inference speed and output quality. Existing methods predominantly rely on static confidence thresholds, overlooking the spatial-temporal dynamics of token confidence, causing unnecessary remasking. We propose Spatial-Temporal Token-Dynamics-Aware Responsive Remasking (STaRR), a training-free framework that dynamically adapts remasking decisions based on token confidence evolution. STaRR introduces two metrics, temporal variance and spatial deviance, to guide fine-grained, step-wise dynamic thresholding. We further introduce a step-wise dynamic thresholding strategy, further enhanced with responsiveness optimizations for scalability and robustness. Experiments show that STaRR achieves an average speedup of 4.1 and up to 8.9 while maintaining comparable accuracy.

Step 3.5 Flash: Open Frontier-Level Intelligence with 11B Active Parameters

arXiv:2602.10604v2 Announce Type: replace-cross Abstract: We introduce Step 3.5 Flash, a sparse Mixture-of-Experts (MoE) model that bridges frontier-level agentic intelligence and computational efficiency. We focus on what matters most when building agents: sharp reasoning and fast, reliable execution. Step 3.5 Flash pairs a 196B-parameter foundation with 11B active parameters for efficient inference. It is optimized with interleaved 3:1 sliding-window/full attention and Multi-Token Prediction (MTP-3) to reduce the latency and cost of multi-round agentic interactions. To reach frontier-level intelligence, we design a scalable reinforcement learning framework that combines verifiable signals with preference feedback, while remaining stable under large-scale off-policy training, enabling consistent self-improvement across mathematics, code, and tool use. Step 3.5 Flash demonstrates strong performance across agent, coding, and math tasks, achieving 85.4% on IMO-AnswerBench, 86.4% on LiveCodeBench-v6 (2024.08-2025.05), 88.2% on tau2-Bench, 69.0% on BrowseComp (with context management), and 51.0% on Terminal-Bench 2.0, comparable to frontier models such as GPT-5.2 xHigh and Gemini 3.0 Pro. By redefining the efficiency frontier, Step 3.5 Flash provides a high-density foundation for deploying sophisticated agents in real-world industrial environments.

A Trajectory-Based Safety Audit of Clawdbot (OpenClaw)

arXiv:2602.14364v1 Announce Type: cross Abstract: Clawdbot is a self-hosted, tool-using personal AI agent with a broad action space spanning local execution and web-mediated workflows, which raises heightened safety and security concerns under ambiguity and adversarial steering. We present a trajectory-centric evaluation of Clawdbot across six risk dimensions. Our test suite samples and lightly adapts scenarios from prior agent-safety benchmarks (including ATBench and LPS-Bench) and supplements them with hand-designed cases tailored to Clawdbot's tool surface. We log complete interaction trajectories (messages, actions, tool-call arguments/outputs) and assess safety using both an automated trajectory judge (AgentDoG-Qwen3-4B) and human review. Across 34 canonical cases, we find a non-uniform safety profile: performance is generally consistent on reliability-focused tasks, while most failures arise under underspecified intent, open-ended goals, or benign-seeming jailbreak prompts, where minor misinterpretations can escalate into higher-impact tool actions. We supplemented the overall results with representative case studies and summarized the commonalities of these cases, analyzing the security vulnerabilities and typical failure modes that Clawdbot is prone to trigger in practice.

OmniVideoBench: Towards Audio-Visual Understanding Evaluation for Omni MLLMs

arXiv:2510.10689v2 Announce Type: replace Abstract: Recent advances in multimodal large language models (MLLMs) have demonstrated substantial potential in video understanding. However, existing benchmarks fail to comprehensively evaluate synergistic reasoning capabilities across audio and visual modalities, often neglecting either one of the modalities or integrating them in a logically inconsistent manner. To bridge this gap, we introduce OmniVideoBench, a large-scale and rigorously designed benchmark dedicated to assessing synergistic audio-visual understanding, with a strong emphasis on modality complementarity and logical consistency. Specifically, OmniVideoBench comprises 1000 high-quality question-answer(QA) pairs, each annotated with step-by-step reasoning traces, derived from 628 diverse videos ranging from several seconds to 30 minutes, and manually verified to guarantee complete correctness and uniqueness. Moreover, OmniVideoBench encompasses 13 carefully designed question types, covering temporal reasoning, spatial localization, counting, causal inference, summarization, and beyond, thereby capturing the essential challenges of video understanding. Evaluation of multiple MLLMs on OmniVideoBench reveals a pronounced gap between model performance and human reasoning, with open-source models lagging significantly behind their closed-source counterparts, underscoring the inherent difficulty of genuine audio-visual reasoning. We will release OmniVideoBench to foster the development of MLLMs with stronger and more generalizable reasoning capabilities.

Automated Proof Generation for Rust Code via Self-Evolution

arXiv:2410.15756v3 Announce Type: replace-cross Abstract: Ensuring correctness is crucial for code generation. Formal verification offers a definitive assurance of correctness, but demands substantial human effort in proof construction and hence raises a pressing need for automation. The primary obstacle lies in the severe lack of data-there is much fewer proofs than code snippets for Large Language Models (LLMs) to train upon. In this paper, we introduce SAFE, a framework that overcomes the lack of human-written proofs to enable automated proof generation of Rust code. SAFE establishes a self-evolving cycle where data synthesis and fine-tuning collaborate to enhance the model capability, leveraging the definitive power of a symbolic verifier in telling correct proofs from incorrect ones. SAFE also re-purposes the large number of synthesized incorrect proofs to train the self-debugging capability of the fine-tuned models, empowering them to fix incorrect proofs based on the verifier's feedback. SAFE demonstrates superior efficiency and precision compared to GPT-4o. Through tens of thousands of synthesized proofs and the self-debugging mechanism, we improve the capability of open-source models, initially unacquainted with formal verification, to automatically write proofs for Rust code. This advancement leads to a significant improvement in performance, achieving a 52.52% accuracy rate in a benchmark crafted by human experts, a significant leap over GPT-4o's performance of 14.39%.

Single Image Reflection Separation via Dual Prior Interaction Transformer

arXiv:2505.12641v3 Announce Type: replace-cross Abstract: Single image reflection separation aims to separate the transmission and reflection layers from a mixed image. Existing methods typically combine general priors from pre-trained models with task-specific priors such as text prompts and reflection detection. However, the transmission prior, as the most direct task-specific prior for the target transmission layer, has not been effectively modeled or fully utilized, limiting performance in complex scenarios. To address this issue, we propose a dual-prior interaction framework based on lightweight transmission prior generation and effective prior fusion. First, we design a Local Linear Correction Network (LLCN) that finetunes pre-trained models based on the physical constraint T=SI+B, where S and B represent pixel-wise and channel-wise scaling and bias transformations. LLCN efficiently generates high-quality transmission priors with minimal parameters. Second, we construct a Dual-Prior Interaction Transformer (DPIT) that employs a dual-stream channel reorganization attention mechanism. By reorganizing features from general and transmission priors for attention computation, DPIT achieves deep fusion of both priors, fully exploiting their complementary information. Experimental results on multiple benchmark datasets demonstrate that the proposed method achieves state-of-the-art performance.

Improving Data Efficiency for LLM Reinforcement Fine-tuning Through Difficulty-targeted Online Data Selection and Rollout Replay

arXiv:2506.05316v4 Announce Type: replace-cross Abstract: Reinforcement learning (RL) has become an effective approach for fine-tuning large language models (LLMs), particularly to enhance their reasoning capabilities. However, RL fine-tuning remains highly resource-intensive, and existing work has largely overlooked the problem of data efficiency. In this paper, we propose two techniques to improve data efficiency in LLM RL fine-tuning: difficulty-targeted online data selection and rollout replay. We introduce the notion of adaptive difficulty to guide online data selection, prioritizing questions of moderate difficulty that are more likely to yield informative learning signals. To estimate adaptive difficulty efficiently, we develop an attention-based framework that requires rollouts for only a small reference set of questions. The adaptive difficulty of the remaining questions is then estimated based on their similarity to this set. To further reduce rollout cost, we introduce a rollout replay mechanism inspired by experience replay in traditional RL. This technique reuses recent rollouts, lowering per-step computation while maintaining stable updates. Experiments across 6 LLM-dataset combinations show that our method reduces RL fine-tuning time by 23% to 62% while reaching the same level of performance as the original GRPO algorithm. Our code is available at https://github.com/ASTRAL-Group/data-efficient-llm-rl.

DiffusionNFT: Online Diffusion Reinforcement with Forward Process

arXiv:2509.16117v2 Announce Type: replace-cross Abstract: Online reinforcement learning (RL) has been central to post-training language models, but its extension to diffusion models remains challenging due to intractable likelihoods. Recent works discretize the reverse sampling process to enable GRPO-style training, yet they inherit fundamental drawbacks, including solver restrictions, forward-reverse inconsistency, and complicated integration with classifier-free guidance (CFG). We introduce Diffusion Negative-aware FineTuning (DiffusionNFT), a new online RL paradigm that optimizes diffusion models directly on the forward process via flow matching. DiffusionNFT contrasts positive and negative generations to define an implicit policy improvement direction, naturally incorporating reinforcement signals into the supervised learning objective. This formulation enables training with arbitrary black-box solvers, eliminates the need for likelihood estimation, and requires only clean images rather than sampling trajectories for policy optimization. DiffusionNFT is up to $25\times$ more efficient than FlowGRPO in head-to-head comparisons, while being CFG-free. For instance, DiffusionNFT improves the GenEval score from 0.24 to 0.98 within 1k steps, while FlowGRPO achieves 0.95 with over 5k steps and additional CFG employment. By leveraging multiple reward models, DiffusionNFT significantly boosts the performance of SD3.5-Medium in every benchmark tested.

Algorithms Trained on Normal Chest X-rays Can Predict Health Insurance Types

arXiv:2511.11030v5 Announce Type: replace-cross Abstract: Artificial intelligence is revealing what medicine never intended to encode. Deep vision models, trained on chest X-rays, can now detect not only disease but also invisible traces of social inequality. In this study, we show that state-of-the-art architectures (DenseNet121, SwinV2-B, MedMamba) can predict a patient's health insurance type, a strong proxy for socioeconomic status, from normal chest X-rays with significant accuracy (AUC around 0.70 on MIMIC-CXR-JPG, 0.68 on CheXpert). The signal was unlikely contributed by demographic features by our machine learning study combining age, race, and sex labels to predict health insurance types; it also remains detectable when the model is trained exclusively on a single racial group. Patch-based occlusion reveals that the signal is diffuse rather than localized, embedded in the upper and mid-thoracic regions. This suggests that deep networks may be internalizing subtle traces of clinical environments, equipment differences, or care pathways; learning socioeconomic segregation itself. These findings challenge the assumption that medical images are neutral biological data. By uncovering how models perceive and exploit these hidden social signatures, this work reframes fairness in medical AI: the goal is no longer only to balance datasets or adjust thresholds, but to interrogate and disentangle the social fingerprints embedded in clinical data itself.
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