4 papers
PRISMat: Policy-Driven, Permutation-Invariant Autoregressive Material Generation
Claire Schlesinger, Circe Hsu, Peter Schindler +1
Rapid identification of candidate materials with target properties has become a key task in materials science. Machine learning has emerged as an alternative to physics-based simul…
FIRE-GNN: Force-informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties
Circe Hsu, Claire Schlesinger, Karan Mudaliar +3
The work function and cleavage energy of a surface are critical properties that determine the viability of materials in electronic emission applications, semiconductor devices, and…
Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
Alex Heilman, Claire Schlesinger, Qimin Yan
Modern E(3)-Equivariant networks may be used to predict rotationally equivariant properties, including tensorial quantities. Three such quantities: the dielectric, piezoelectric, a…
Creating and Repairing Robot Programs in Open-World Domains
Claire Schlesinger, Arjun Guha, Joydeep Biswas
Using Large Language Models (LLMs) to produce robot programs from natural language has allowed for robot systems that can complete a higher diversity of tasks. However, LLM-generat…