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cs.LG2026
Crystal structure prediction using graph neural combinatorial optimization
Stavros Gerolymatos, J. Kyle Brubaker, Martin J. A. Schuetz +1
Crystalline materials are widely used in technological applications, yet their discovery remains a significant challenge. As their properties are driven by structure, crystal struc…
cs.LG2023★ 1 cited
Cluster Exploration using Informative Manifold Projections
Stavros Gerolymatos, Xenophon Evangelopoulos, Vladimir Gusev +1
Dimensionality reduction (DR) is one of the key tools for the visual exploration of high-dimensional data and uncovering its cluster structure in two- or three-dimensional spaces.…