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cs.LG2026
Scientific Discovery under Validation Congestion via Multi-Fidelity Pairwise Rankings
Kevin Tirta Wijaya, Alston Lo, Michael Sun +2
Modern computational methods can now propose candidate molecules, materials, and other scientific designs at an unprecedented scale, creating a validation congestion where candidat…
cs.LG2026
Momentum-Conserving Graph Neural Networks for Deformable Objects
Jiahong Wang, Logan Numerow, Stelian Coros +3
Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary…
cs.LG2025
Post Hoc Regression Refinement via Pairwise Rankings
Kevin Tirta Wijaya, Michael Sun, Minghao Guo +3
Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy det…