gopal-iyer

geodesic_descriptor_optimization

This repository includes scripts for optimizing ACSF descriptor hyperparameters using Bayesian optimization to minimize the information imbalance between descriptor distances, and Cartesian-Euclidean and/or geodesic distances

interpretable_ML_charge_density

PySR

High-Performance Symbolic Regression in Python

surrogate_hessian_reaction_pathway_search

This repository includes surrogate Hessian subspace optimization and saddle-point search based on the manuscript 'Force-free identification of minimum-energy pathways and transition states for stochastic electronic structure theories'

surrogate_hessian_relax

This fork includes surrogate Hessian subspace optimization and saddle-point search.

DL-final-project

Probing the dynamics of word embeddings and prompt completions using time-sliced training of language models

gopal-iyer/surrogate_hessian_reaction_pathway_search

This repository includes surrogate Hessian subspace optimization and saddle-point search based on the manuscript 'Force-free identification of minimum-energy pathways and transition states for stochastic electronic structure theories'

gopal-iyer/interpretable_ML_charge_density

gopal-iyer/geodesic_descriptor_optimization

This repository includes scripts for optimizing ACSF descriptor hyperparameters using Bayesian optimization to minimize the information imbalance between descriptor distances, and Cartesian-Euclidean and/or geodesic distances

gopal-iyer/PySR

High-Performance Symbolic Regression in Python

gopal-iyer/surrogate_hessian_relax

This fork includes surrogate Hessian subspace optimization and saddle-point search.