Articles by Aditi S. Krishnapriyan | Synthical

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Aditi S. Krishnapriyan

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14

Understanding and Mitigating Distribution Shifts For Machine Learning Force Fields

11 March 2025 by Tobias Kreiman and Aditi Krishnapriyan

Machine Learning, Materials Science

Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators

25 February 2025 by Sanjeev Raja and others at

Machine Learning, Disordered Systems and Neural Networks

Deep Speech Synthesis from Multimodal Articulatory Representations

17 December 2024 by Peter Wu and others

Audio and Speech Processing, Sound

Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products

11 November 2024 by Shengjie Luo and others at

Machine Learning, Materials Science

The Importance of Being Scalable: Improving the Speed and Accuracy of Neural Network Interatomic Potentials Across Chemical Domains

31 October 2024 by Eric Qu and Aditi Krishnapriyan at

Machine Learning

General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design

24 June 2024 by Yue Jian and others at

Machine Learning, Artificial Intelligence

Physics-Informed Heterogeneous Graph Neural Networks for DC Blocker Placement

16 May 2024 by Hongwei Jin and others

Systems and Control, Machine Learning

Equation Discovery with Bayesian Spike-and-Slab Priors and Efficient Kernels

22 April 2024 by Da Long and others

Machine Learning

Learning continuous models for continuous physics

22 November 2023 by Aditi Krishnapriyan and others at

Machine Learning

Investigating the Behavior of Diffusion Models for Accelerating Electronic Structure Calculations

2 November 2023 by Daniel Rothchild and others

Chemical Physics, Materials Science

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation

19 October 2023 by Danny Reidenbach and Aditi Krishnapriyan at

Machine Learning, Chemical Physics

Learning differentiable solvers for systems with hard constraints

18 April 2023 by Geoffrey Negiar and others

Machine Learning

An ecosystem for digital reticular chemistry

1 September 2022 by Kevin Maik Jablonka and others at

École Polytechnique Fédérale De Lausanne

Materials Science, Computational Chemistry and Modeling

Characterizing possible failure modes in physics-informed neural networks

11 November 2021 by Aditi Krishnapriyan and others

Machine Learning, Artificial Intelligence

Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks

31 March 2021 by Aditi Krishnapriyan and others

Materials Science, Machine Learning

Topological Regularization via Persistence-Sensitive Optimization

10 November 2020 by Arnur Nigmetov and others

Machine Learning, Algebraic Topology

PersGNN: Applying Topological Data Analysis and Geometric Deep Learning to Structure-Based Protein Function Prediction

30 October 2020 by Nicolas Swenson and others

Biomolecules, Machine Learning

Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials

27 February 2020 by Aditi Krishnapriyan and others

Materials Science, Machine Learning

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Topics

Machine Learning Materials Science Computational Physics Chemical Physics Algebraic Topology Biomolecules Numerical Analysis Systems and Control Disordered Systems and Neural Networks Group Theory Computational Chemistry and Modeling Theoretical and Computational Chemistry Chemoinformatics Materials Chemistry Artificial Intelligence