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cs.LG2026
SinAE: A Single-Architecture Flow-Matching Autoencoder for Cross-Domain Atomic Systems
Yuxuan Ren, Fan Yang, Jianhua Yao +1
Small molecules, crystals, and proteins all reduce to atoms in 3D space, yet their generative pipelines remain fragmented across domains, each with its Small molecules, crystals, a…
cs.LG2026
Kempe Swap K-Means: A Scalable Near-Optimal Solution for Semi-Supervised Clustering
Yuxuan Ren, Shijie Deng
This paper presents a novel centroid-based heuristic algorithm, termed Kempe Swap K-Means, for constrained clustering under rigid must-link (ML) and cannot-link (CL) constraints. T…
math.OC2026
Riemannian Dueling Optimization
Yuxuan Ren, Abhishek Roy, Shiqian Ma
Dueling optimization considers optimizing an objective with access to only a comparison oracle of the objective function. It finds important applications in emerging fields such as…