3 papers
cs.LG2025
L^2M^3OF: A Large Language Multimodal Model for Metal-Organic Frameworks
Jiyu Cui, Fang Wu, Haokai Zhao +4
Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more…
cs.LG2025
Language-Based Bayesian Optimization Research Assistant (BORA)
Abdoulatif Cissé, Xenophon Evangelopoulos, Vladimir V. Gusev +1
Many important scientific problems involve multivariate optimization coupled with slow and laborious experimental measurements. These complex, high-dimensional searches can be defi…
cs.LG2024
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.…