4 papers
Slumbering to Precision: Enhancing Artificial Neural Network Calibration Through Sleep-like Processes
Jean Erik Delanois, Aditya Ahuja, Giri P. Krishnan +1
Artificial neural networks are often overconfident, undermining trust because their predicted probabilities do not match actual accuracy. Inspired by biological sleep and the role…
-ML Ensembles for Selecting Quantum Chemistry Methods to Compute Intermolecular Interactions
Austin M. Wallace, C. David Sherrill, Giri P. Krishnan
Ab initio quantum chemical methods for accurately computing interactions between molecules have a wide range of applications but are often computationally expensive. Hence, selecti…
Quantifying the Role of OpenFold Components in Protein Structure Prediction
Tyler L. Hayes, Giri P. Krishnan
Models such as AlphaFold2 and OpenFold have transformed protein structure prediction, yet their inner workings remain poorly understood. We present a methodology to systematically…
Unsupervised Replay Strategies for Continual Learning with Limited Data
Anthony Bazhenov, Pahan Dewasurendra, Giri P. Krishnan +1
Artificial neural networks (ANNs) show limited performance with scarce or imbalanced training data and face challenges with continuous learning, such as forgetting previously learn…