63 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of TorontoCA7 papers
- Vector InstituteCA5 papers
- Princeton UniversityUS2 papers
- Schwartz/Reisman Emergency Medicine InstituteCA2 papers
- Argonne National LaboratoryUS1 paper
- Canadian Institute for Advanced ResearchCA1 paper
- Fritz Haber Institute of the Max Planck SocietyDE1 paper
- Material Measurement LaboratoryUS1 paper
- Nanyang Technological UniversitySG1 paper
- National Institute of Standards and TechnologyUS1 paper
- Swiss Federal Laboratories for Materials Science and TechnologyCH1 paper
- Tinbergen InstituteNL1 paper
3 papers · 1 filter
LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction
Andre Niyongabo Rubungo, Kangming Li, Jason Hattrick-Simpers +1
Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based ma…
Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
Austin Cheng, Cher Tian Ser, Marta Skreta +8
Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it i…
Probing out-of-distribution generalization in machine learning for materials
Kangming Li, Andre Niyongabo Rubungo, Xiangyun Lei +5
Scientific machine learning (ML) endeavors to develop generalizable models with broad applicability. However, the assessment of generalizability is often based on heuristics. Here,…