3 papers
cs.LG2025
Optimal Embedding Guided Negative Sample Generation for Knowledge Graph Link Prediction
Makoto Takamoto, Daniel Oñoro-Rubio, Wiem Ben Rim +2
Knowledge graph embedding (KGE) models encode the structural information of knowledge graphs to predicting new links. Effective training of these models requires distinguishing bet…
physics.comp-ph2025
Fast, Modular, and Differentiable Framework for Machine Learning-Enhanced Molecular Simulations
Henrik Christiansen, Takashi Maruyama, Federico Errica +3
We present an end-to-end differentiable molecular simulation framework (DIMOS) for molecular dynamics and Monte Carlo simulations. DIMOS easily integrates machine-learning-based in…
cs.LG2025
Geometric Kolmogorov-Arnold Superposition Theorem
Francesco Alesiani, Takashi Maruyama, Henrik Christiansen +1
The Kolmogorov-Arnold Theorem (KAT), or more generally, the Kolmogorov Superposition Theorem (KST), establishes that any non-linear multivariate function can be exactly represented…