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Beyond Binary Edits Robust Multimodal Knowledge Editing with Adversarial Subspace Alignment Agentic Proving for Program Verification MemAudit: Post-hoc Auditing of Poisoned Agent Memory via Causal Attribution and Structural Anomaly Detection OpenSkillEval: Automatically Auditing the Open Skill Ecosystem for LLM Agents One Policy, Infinite NPCs: Persona-Traceable Shared RL Policies for Scalable Game Agents How Human-Like Are Large Language Models? A Register-Aware Linguistic Evaluation Framework Benchmarking Google Embeddings 2 against Open-Source Models for Multilingual Dense Retrieval and RAG Systems Structure-Guided Entity Resolution: Fine-Tuning LLMs for Robust Name Matching in Complex Linguistic Contexts Solving the Aircraft Disassembly Scheduling Problem Co-ReAct: Rubrics as Step-Level Collaborators for ReAct Agents CP or DP? Why Not Both: A Case Study in the Partial Shop Scheduling Problem Asking For An Old Friend: Diagnosing and Mitigating Temporal Failure Modes in LLM-based Statutory Question Answering EDGE-OPD: Internalizing Privileged Context with Evidence Guided On-Policy Distillation ARES: Automated Rubric Synthesis for Scalable LLM Reinforcement Learning SSDAU: Structured Semantic Data Augmentation for Joint Entity and Relation Extraction Naturalistic measure of social norms alignment Articulatory strategy as a source of variation in acoustic vowel dynamics When Planning Fails Despite Correct Execution: On Epistemic Calibration for LLM-Based Multi-Agent Systems EquiSumm : A Gender Bias-Aware Framework for Inclusive Tweet Summarization Metacognition as Reward: Reinforcing LLM Reasoning via Knowledge and Regulation Signals From Correctness to Preference: A Framework for Personalized Agentic Reinforcement Learning Cultural Adaptation in Large Language Models for Political Discourse Emotion Recognition in Sign Language Conversation ClimateChat-300K: A Multi-Modal Facebook Dataset for Understanding Diverse Perspectives in Climate Communication AraHopeCorpus: Annotation Guidelines and Dataset for Hope Speech in Arabic Social Media Crisis Discourse Human-in-the-Loop Multi-Agent Ventilator Decision Support with Contextual Bandit Preference Learning Convergence Without Understanding: When Language Models Agree on Representations but Disagree on Reasoning DART: Semantic Recoverability for Structured Tool Agents Ontological Knowledge Blocks: Executable Compliance and Profile-Based Validation for Trustworthy AI Systems Parallel Context Compaction for Long-Horizon LLM Agent Serving
Improvise, Adapt, Overcome: An On-The-Fly Multifidelity A...
Vivin Vinod, Peter Zaspel · 2026-06-01 · via cs updates on arXiv.org

Machine learning has accelerated quantum chemistry but is hindered by the prohibitive cost of generating high fidelity training data. Multifidelity machine learning (MFML) mitigates this overhead by systematically combining abundant low fidelity data with sparse high fidelity data. In spite of its success, standard MFML schemes rely on pre-defined scaling factors to determine sparse data ratio across fidelities, often generating redundant multifidelity data resulting in a loss of efficiency. Here, we introduce an adaptive on-the-fly multifidelity framework for machine learning that autonomously determines training dataset composition. By dynamically querying training samples at each fidelity, the algorithm saturates model accuracy at lower fidelities before moving up to more expensive reference calculations. We benchmark the novel adaptive-MFML across diverse chemical properties including the computational chemistry gold standard coupled cluster energies, and the more chemically challenging excitation energies. In our numerical experiments we show that our adaptive algorithm reduces data generation costs by up to a factor of 30 compared to single fidelity methods and improves upon standard MFML by up to a factor of 5. The mitigation of data redundancy establishes a high-accuracy low-cost pathway for sustainable cost-aware machine learning in quantum chemistry.