8 papers · 1 filter
GRIMIP: A General Framework for Instance-Specific Configuration of MIP Solvers Using LLMs
Yidong Luo, Xuemin Chen, Chenguang Wang +3
Configuring the hyperparameters of Mixed-integer programming (MIP) solvers is a high-dimensional, instance-dependent optimization problem where suboptimal settings can degrade solv…
Order Matters in Retrosynthesis: Structure-aware Generation via Reaction-Center-Guided Discrete Flow Matching
Chenguang Wang, Zihan Zhou, Lei Bai +1
Template-free retrosynthesis methods treat the task as black-box sequence generation, limiting learning efficiency, while semi-template approaches rely on rigid reaction libraries…
Incomplete Data, Complete Dynamics: A Diffusion Approach
Zihan Zhou, Chenguang Wang, Hongyi Ye +2
Learning physical dynamics from data is a fundamental challenge in machine learning and scientific modeling. Real-world observational data are inherently incomplete and irregularly…
Importance Weighted Score Matching for Diffusion Samplers with Enhanced Mode Coverage
Chenguang Wang, Xiaoyu Zhang, Kaiyuan Cui +3
Training neural samplers directly from unnormalized densities without access to target distribution samples presents a significant challenge. A critical desideratum in these settin…
Are Your Generated Instances Truly Useful? GenBench-MILP: A Benchmark Suite for MILP Instance Generation
Yidong Luo, Chenguang Wang, Dong Li +1
The proliferation of machine learning-based methods for Mixed-Integer Linear Programming (MILP) instance generation has surged, driven by the need for diverse training datasets. Ho…
Beyond the Heatmap: A Rigorous Evaluation of Component Impact in MCTS-Based TSP Solvers
Xuanhao Pan, Chenguang Wang, Chaolong Ying +2
The ``Heatmap + Monte Carlo Tree Search (MCTS)'' paradigm has recently emerged as a prominent framework for solving the Travelling Salesman Problem (TSP). While considerable effort…
Towards Principled Task Grouping for Multi-Task Learning
Chenguang Wang, Xuanhao Pan, Tianshu Yu
Multi-task learning (MTL) aims to leverage shared information among tasks to improve learning efficiency and accuracy. However, MTL often struggles to effectively manage positive a…
Understanding Oversmoothing in Diffusion-Based GNNs From the Perspective of Operator Semigroup Theory
Weichen Zhao, Chenguang Wang, Xinyan Wang +3
This paper presents an analytical study of the oversmoothing issue in diffusion-based Graph Neural Networks (GNNs). Generalizing beyond extant approaches grounded in random walk an…