5 papers
AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations
Penghui Yang, Zhonghan Zhang, Yue Li +6
Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting a…
MIND-Skill: Quality-Guaranteed Skill Generation via Multi-Agent Induction and Deduction
Yixuan Li, Mingshu Cai, Ziyang Xiao +3
Large language model (LLM) powered AI agents have emerged as a promising paradigm for autonomous problem-solving, yet they continue to struggle with complex, multi-step real-world…
GDBA Revisited: Unleashing the Power of Guided Local Search for Distributed Constraint Optimization
Yanchen Deng, Xinrun Wang, Bo An
Local search is an important class of incomplete algorithms for solving Distributed Constraint Optimization Problems (DCOPs) but it often converges to poor local optima. While Gene…
Collab-Solver: Collaborative Solving Policy Learning for Mixed-Integer Linear Programming
Siyuan Li, Yifan Yu, Zhihao Zhang +5
Mixed-integer linear programming (MILP) has been a fundamental problem in combinatorial optimization. Conventional MILP solving mainly relies on carefully designed heuristics embed…
Let's Revise Step-by-Step: A Unified Local Search Framework for Code Generation with LLMs
Zhiyi Lyu, Jianguo Huang, Yanchen Deng +2
Large Language Models (LLMs) with inference-time scaling techniques show promise for code generation, yet face notable efficiency and scalability challenges. Construction-based tre…