3 papers
q-bio.QM2025
Towards Scalable Proteomics: Opportunistic SMC Samplers on HTCondor
Matthew Carter, Lee Devlin, Alexander Philips +3
Quantitative proteomics plays a central role in uncovering regulatory mechanisms, identifying disease biomarkers, and guiding the development of precision therapies. These insights…
cs.LG2025
MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures
Elena Zamaraeva, Christopher M. Collins, George R. Darling +8
Geometry optimization of atomic structures is a common and crucial task in computational chemistry and materials design. Following the learning to optimize paradigm, we propose a n…
cs.DC2024
Distributed weak independent sets in hypergraphs: Upper and lower bounds
Duncan Adamson, Will Rosenbaum, Paul G. Spirakis
In this paper, we consider the problem of finding weak independent sets in a distributed network represented by a hypergraph. In this setting, each edge contains a set of r vertice…