most citedOn Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction

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cs.LG2026

BASIL: Bayesian Application for Scientific Iteration and Learning

Kelvin P. Idanwekhai, Valeriia Kaneva, Stefano Menegatti +1

We introduce BASIL, a user-friendly desktop application for process optimization. BASIL employs a Bayesian approach, incorporating special acquisition functions that can be used to…

cs.LG2021★ 1 cited

On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction

Edward Elson Kosasih, Joaquin Cabezas, Xavier Sumba +5

In order to advance large-scale graph machine learning, the Open Graph Benchmark Large Scale Challenge (OGB-LSC) was proposed at the KDD Cup 2021. The PCQM4M-LSC dataset defines a…