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cs.AI updates on arXiv.org

Policy Split: Incentivizing Dual-Mode Exploration in LLM Reinforcement with Dual-Mode Entropy Regularization METER: Evaluating Multi-Level Contextual Causal Reasoning in Large Language Models Think Before you Write: QA-Guided Reasoning for Character Descriptions in Books METRO: Towards Strategy Induction from Expert Dialogue Transcripts for Non-collaborative Dialogues Retrieval as Generation: A Unified Framework with Self-Triggered Information Planning Do LLMs Know Tool Irrelevance? Demystifying Structural Alignment Bias in Tool Invocations Enhancing Multimodal Large Language Models for Ancient Chinese Character Evolution Analysis via Glyph-Driven Fine-Tuning Exploring Knowledge Conflicts for Faithful LLM Reasoning: Benchmark and Method CocoaBench: Evaluating Unified Digital Agents in the Wild MathAgent: Adversarial Evolution of Constraint Graphs for Mathematical Reasoning Data Synthesis Efficient Training for Cross-lingual Speech Language Models Shared Emotion Geometry Across Small Language Models: A Cross-Architecture Study of Representation, Behavior, and Methodological Confounds A Systematic Analysis of the Impact of Persona Steering on LLM Capabilities Uncertainty-Aware Web-Conditioned Scientific Fact-Checking When Valid Signals Fail: Regime Boundaries Between LLM Features and RL Trading Policies When Verification Fails: How Compositionally Infeasible Claims Escape Rejection Mem$^2$Evolve: Towards Self-Evolving Agents via Co-Evolutionary Capability Expansion and Experience Distillation AOP-Smart: A RAG-Enhanced Large Language Model Framework for Adverse Outcome Pathway Analysis Advancing Polish Language Modeling through Tokenizer Optimization in the Bielik v3 7B and 11B Series TInR: Exploring Tool-Internalized Reasoning in Large Language Models Do BERT Embeddings Encode Narrative Dimensions? A Token-Level Probing Analysis of Time, Space, Causality, and Character in Fiction Generating Multiple-Choice Knowledge Questions with Interpretable Difficulty Estimation using Knowledge Graphs and Large Language Models Deep-Reporter: Deep Research for Grounded Multimodal Long-Form Generation Too Nice to Tell the Truth: Quantifying Agreeableness-Driven Sycophancy in Role-Playing Language Models Learning and Enforcing Context-Sensitive Control for LLMs Efficient Process Reward Modeling via Contrastive Mutual Information Computational Lesions in Multilingual Language Models Separate Shared and Language-specific Brain Alignment Bridging Linguistic Gaps: Cross-Lingual Mapping in Pre-Training and Dataset for Enhanced Multilingual LLM Performance Early Decisions Matter: Proximity Bias and Initial Trajectory Shaping in Non-Autoregressive Diffusion Language Models LLMs Should Incorporate Explicit Mechanisms for Human Empathy ReFEree: Reference-Free and Fine-Grained Method for Evaluating Factual Consistency in Real-World Code Summarization From Query to Counsel: Structured Reasoning with a Multi-Agent Framework and Dataset for Legal Consultation CodaRAG: Connecting the Dots with Associativity Inspired by Complementary Learning Think in Sentences: Explicit Sentence Boundaries Enhance Language Model's Capabilities CircuitSynth: Reliable Synthetic Data Generation ASPIRin: Action Space Projection for Interactivity-Optimized Reinforcement Learning in Full-Duplex Speech Language Models Computational Implementation of a Model of Category-Theoretic Metaphor Comprehension CoSToM:Causal-oriented Steering for Intrinsic Theory-of-Mind Alignment in Large Language Models Should We be Pedantic About Reasoning Errors in Machine Translation? GIANTS: Generative Insight Anticipation from Scientific Literature SafeAdapt: Provably Safe Policy Updates in Deep Reinforcement Learning Many-Tier Instruction Hierarchy in LLM Agents Rays as Pixels: Learning A Joint Distribution of Videos and Camera Trajectories PhysInOne: Visual Physics Learning and Reasoning in One Suite Neural Distribution Prior for LiDAR Out-of-Distribution Detection Interactive ASR: Towards Human-Like Interaction and Semantic Coherence Evaluation for Agentic Speech Recognition PDE-regularized Dynamics-informed Diffusion with Uncertainty-aware Filtering for Long-Horizon Dynamics Leave My Images Alone: Preventing Multi-Modal Large Language Models from Analyzing Images via Visual Prompt Injection Regime-Conditional Retrieval: Theory and a Transferable Router for Two-Hop QA Identification and Anonymization of Named Entities in Unstructured Information Sources for Use in Social Engineering Detection Hypergraph Neural Networks Accelerate MUS Enumeration ASTRA: Adaptive Semantic Tree Reasoning Architecture for Complex Table Question Answering Neighbourhood Transformer: Switchable Attention for Monophily-Aware Graph Learning Aligned Agents, Biased Swarm: Measuring Bias Amplification in Multi-Agent Systems WOMBET: World Model-Based Experience Transfer for Robust and Sample-efficient Reinforcement Learning Adaptive Dual Residual U-Net with Attention Gate and Multiscale Spatial Attention Mechanisms (ADRUwAMS) Revisiting the Capacity Gap in Chain-of-Thought Distillation from a Practical Perspective A Mathematical Framework for Temporal Modeling and Counterfactual Policy Simulation of Student Dropout Temporal Dropout Risk in Learning Analytics: A Harmonized Survival Benchmark Across Dynamic and Early-Window Representations MedFormer-UR: Uncertainty-Routed Transformer for Medical Image Classification Dictionary-Aligned Concept Control for Safeguarding Multimodal LLMs SenBen: Sensitive Scene Graphs for Explainable Content Moderation eBandit: Kernel-Driven Reinforcement Learning for Adaptive Video Streaming Accelerating Transformer-Based Monocular SLAM via Geometric Utility Scoring Deep Learning-Based Tracking and Lineage Reconstruction of Ligament Breakup Every Response Counts: Quantifying Uncertainty of LLM-based Multi-Agent Systems through Tensor Decomposition 3D-VCD: Hallucination Mitigation in 3D-LLM Embodied Agents through Visual Contrastive Decoding On Semiotic-Grounded Interpretive Evaluation of Generative Art Evidential Transformation Network: Turning Pretrained Models into Evidential Models for Post-hoc Uncertainty Estimation QARIMA: A Quantum Approach To Classical Time Series Analysis StructRL: Recovering Dynamic Programming Structure from Learning Dynamics in Distributional Reinforcement Learning From Selection to Scheduling: Federated Geometry-Aware Correction Makes Exemplar Replay Work Better under Continual Dynamic Heterogeneity Detection of Hate and Threat in Digital Forensics: A Case-Driven Multimodal Approach Semantic Intent Fragmentation: A Single-Shot Compositional Attack on Multi-Agent AI Pipelines Joint Interference Detection and Identification via Adversarial Multi-task Learning Springdrift: An Auditable Persistent Runtime for LLM Agents with Case-Based Memory, Normative Safety, and Ambient Self-Perception From Dispersion to Attraction: Spectral Dynamics of Hallucination Across Whisper Model Scales AlphaLab: Autonomous Multi-Agent Research Across Optimization Domains with Frontier LLMs Act or Escalate? Evaluating Escalation Behavior in Automation with Language Models Kill-Chain Canaries: Stage-Level Tracking of Prompt Injection Across Attack Surfaces and Model Safety Tiers Multivariate Time Series Anomaly Detection via Dual-Branch Reconstruction and Autoregressive Flow-based Residual Density Estimation On the Spectral Geometry of Cross-Modal Representations: A Functional Map Diagnostic for Multimodal Alignment Structured Exploration and Exploitation of Label Functions for Automated Data Annotation MolPaQ: Modular Quantum-Classical Patch Learning for Interpretable Molecular Generation QuanBench+: A Unified Multi-Framework Benchmark for LLM-Based Quantum Code Generation Generating High Quality Synthetic Data for Dutch Medical Conversations Re-Mask and Redirect: Exploiting Denoising Irreversibility in Diffusion Language Models Reinforcement-aware Knowledge Distillation for LLM Reasoning SubQuad: Near-Quadratic-Free Structure Inference with Distribution-Balanced Objectives in Adaptive Receptor framework A Horizon-Aware Decision-Support Framework for Demand Forecasting Model Selection in Resilient Production Planning H-AdminSim: A Multi-Agent Simulator for Realistic Hospital Administrative Workflows with FHIR Integration AgencyBench: Benchmarking the Frontiers of Autonomous Agents in 1M-Token Real-World Contexts Reasoning Models Will Sometimes Lie About Their Reasoning Multi-agent Adaptive Mechanism Design Relational Visual Similarity From Navigation to Refinement: Revealing the Two-Stage Nature of Flow-based Diffusion Models through Oracle Velocity On-the-Fly Adaptation to Quantization: Configuration-Aware LoRA for Efficient Fine-Tuning of Quantized LLMs STCast: Adaptive Boundary Alignment for Global and Regional Weather Forecasting HCAST: Human-Calibrated Autonomy Software Tasks OmniPrism: Learning Disentangled Visual Concept for Image Generation
ARMOR: An Agentic Framework for Reaction Feasibility Prediction via Adaptive Utility-aware Multi-tool Reasoning
Ye Liu, Botao Yu, Xinyi Ling, Daniel Adu-Ampratwum, Xia Ning · 2026-05-08 · via cs.AI updates on arXiv.org

Reaction feasibility prediction, as a fundamental problem in computational chemistry, has benefited from diverse tools enabled by recent advances in artificial intelligence, particularly large language models. However, the performance of individual tools varies substantially across reactions, making it difficult for any single tool to consistently perform well across all cases. This raises a critical challenge: how to effectively leverage multiple tools to obtain more accurate feasibility predictions. To address this, we propose ARMOR, an agentic framework that explicitly models tool-specific utilities, adaptively prioritizes tools, and further resolves the potential tool conflicts to produce the final prediction for each reaction. Unlike existing approaches that rely on simple aggregation or heuristic assignment over various tools, ARMOR organizes tools into a hierarchy that prioritizes top-performing tools and defers others when needed, characterizes their strengths through tool-specific patterns, and resolves conflicts via memoryaugmented reasoning. Extensive experiments on a public dataset demonstrate that ARMOR consistently outperforms strong baselines, including single-tool methods as well as various tool aggregation and tool selection approaches. Further analysis shows that the improvements are particularly significant on reactions with conflicting tool predictions, highlighting the effectiveness of ARMOR in leveraging the complementary strengths of multiple tools. The code is available via https://anonymous.4open.science/r/ARMOR-E13F.