Publications by authors named "Alex DeGrave"

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DREAM: A framework for discovering mechanisms underlying AI prediction of protected attributes.
Soham U Gadgil, Alex J DeGrave, Joseph D Janizek, Sonnet Xu, Lotanna Nwandu

medRxiv· July 2025

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Auditing the inference processes of medical-image classifiers by leveraging generative AI and the expertise of physicians.
Alex J DeGrave, Zhuo Ran Cai, Joseph D Janizek, Roxana Daneshjou, Su-In Lee

Nat Biomed Eng· March 2025

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Transparent medical image AI via an image-text foundation model grounded in medical literature.
Chanwoo Kim, Soham U Gadgil, Alex J DeGrave, Jesutofunmi A Omiye, Zhuo Ran Cai

Nat Med· April 2024

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Fostering transparent medical image AI via an image-text foundation model grounded in medical literature.
Chanwoo Kim, Soham U Gadgil, Alex J DeGrave, Zhuo Ran Cai, Roxana Daneshjou

medRxiv· June 2023

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Dissection of medical AI reasoning processes via physician and generative-AI collaboration.
Alex J DeGrave, Zhuo Ran Cai, Joseph D Janizek, Roxana Daneshjou, Su-In Lee

medRxiv· May 2023

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A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0].
Anthony T Bogetti, Jeremy M G Leung, John D Russo, She Zhang, Jeff P Thompson, Alex J DeGrave

Living J Comput Mol Sci· January 2023

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WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications.
John D Russo, She Zhang, Jeremy M G Leung, Anthony T Bogetti, Jeff P Thompson, Alex J DeGrave

J Chem Theory Comput· February 2022

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Course Corrections for Clinical AI.
Alex J DeGrave, Joseph D Janizek, Su-In Lee

Kidney360· December 2021

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The RED scheme: Rate-constant estimation from pre-steady state weighted ensemble simulations.
Alex J DeGrave, Anthony T Bogetti, Lillian T Chong

J Chem Phys· March 2021

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AI for radiographic COVID-19 detection selects shortcuts over signal.
Alex J DeGrave, Joseph D Janizek, Su-In Lee

medRxiv· October 2020

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A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics.
Anthony T Bogetti, Hannah E Piston, Jeremy M G Leung, Chino C Cabalteja, Darian T Yang, Alex J DeGrave

J Chem Phys· August 2020

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From Local Explanations to Global Understanding with Explainable AI for Trees.
Scott M Lundberg, Gabriel Erion, Hugh Chen, Alex DeGrave, Jordan M Prutkin

Nat Mach Intell· January 2020

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A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0].
Anthony T Bogetti, Barmak Mostofian, Alex Dickson, A J Pratt, Ali S Saglam, Alex J DeGrave

Living J Comput Mol Sci· October 2019

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Large enhancement of response times of a protein conformational switch by computational design.
Alex J DeGrave, Jeung-Hoi Ha, Stewart N Loh, Lillian T Chong

Nat Commun· March 2018

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