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Nathan C. Frey
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2020 – today
- 2024
- [c8]Nathan C. Frey, Daniel Berenberg, Karina Zadorozhny, Joseph Kleinhenz, Julien Lafrance-Vanasse, Isidro Hötzel, Yan Wu, Stephen Ra, Richard Bonneau, Kyunghyun Cho, Andreas Loukas, Vladimir Gligorijevic, Saeed Saremi:
Protein Discovery with Discrete Walk-Jump Sampling. ICLR 2024 - [i17]Samuel Stanton, Robert G. Alberstein, Nathan C. Frey, Andrew M. Watkins, Kyunghyun Cho:
Closed-Form Test Functions for Biophysical Sequence Optimization Algorithms. CoRR abs/2407.00236 (2024) - [i16]Natasa Tagasovska, Ji Won Park, Matthieu Kirchmeyer, Nathan C. Frey, Andrew Martin Watkins, Aya Abdelsalam Ismail, Arian Rokkum Jamasb, Edith Lee, Tyler Bryson, Stephen Ra, Kyunghyun Cho:
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design. CoRR abs/2407.21028 (2024) - [i15]Angelica Chen, Samuel Don Stanton, Robert G. Alberstein, Andrew M. Watkins, Richard Bonneau, Vladimir Gligorijevic, Kyunghyun Cho, Nathan C. Frey:
LLMs are Highly-Constrained Biophysical Sequence Optimizers. CoRR abs/2410.22296 (2024) - 2023
- [j3]Nathan C. Frey, Ryan Soklaski, Simon Axelrod, Siddharth Samsi, Rafael Gómez-Bombarelli, Connor W. Coley, Vijay Gadepally:
Neural scaling of deep chemical models. Nat. Mac. Intell. 5(11): 1297-1305 (2023) - [c7]Nate Gruver, Samuel Stanton, Nathan C. Frey, Tim G. J. Rudner, Isidro Hötzel, Julien Lafrance-Vanasse, Arvind Rajpal, Kyunghyun Cho, Andrew Gordon Wilson:
Protein Design with Guided Discrete Diffusion. NeurIPS 2023 - [i14]Dan Zhao, Nathan C. Frey, Joseph McDonald, Matthew Hubbell, David Bestor, Michael Jones, Andrew Prout, Vijay Gadepally, Siddharth Samsi:
A Green(er) World for A.I. CoRR abs/2301.11581 (2023) - [i13]Michael Maser, Ji Won Park, Joshua Yao-Yu Lin, Jae Hyeon Lee, Nathan C. Frey, Andrew M. Watkins:
SupSiam: Non-contrastive Auxiliary Loss for Learning from Molecular Conformers. CoRR abs/2302.07754 (2023) - [i12]Nate Gruver, Samuel Stanton, Nathan C. Frey, Tim G. J. Rudner, Isidro Hötzel, Julien Lafrance-Vanasse, Arvind Rajpal, Kyunghyun Cho, Andrew Gordon Wilson:
Protein Design with Guided Discrete Diffusion. CoRR abs/2305.20009 (2023) - [i11]Nathan C. Frey, Daniel Berenberg, Karina Zadorozhny, Joseph Kleinhenz, Julien Lafrance-Vanasse, Isidro Hötzel, Yan Wu, Stephen Ra, Richard Bonneau, Kyunghyun Cho, Andreas Loukas, Vladimir Gligorijevic, Saeed Saremi:
Protein Discovery with Discrete Walk-Jump Sampling. CoRR abs/2306.12360 (2023) - 2022
- [j2]Matteo Aldeghi, David E. Graff, Nathan C. Frey, Joseph A. Morrone, Edward O. Pyzer-Knapp, Kirk E. Jordan, Connor W. Coley:
Roughness of Molecular Property Landscapes and Its Impact on Modellability. J. Chem. Inf. Model. 62(19): 4660-4671 (2022) - [j1]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. Patterns 3(10): 100588 (2022) - [c6]Nathan C. Frey, Baolin Li, Joseph McDonald, Dan Zhao, Michael Jones, David Bestor, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi:
Benchmarking Resource Usage for Efficient Distributed Deep Learning. HPEC 2022: 1-8 - [c5]Benny J. Tang, Qiqi Chen, Matthew L. Weiss, Nathan C. Frey, Joseph McDonald, David Bestor, Charles Yee, William Arcand, William Bergeron, Chansup Byun, Daniel Edelman, Michael Houle, Matthew Hubbell, Michael Jones, Jeremy Kepner, Anna Klein, Adam Michaleas, Peter Michaleas, Lauren Milechin, Julia S. Mullen, Andrew Prout, Albert Reuther, Antonio Rosa, Andrew Bowne, Lindsey McEvoy, Baolin Li, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi:
The MIT Supercloud Workload Classification Challenge. IPDPS Workshops 2022: 708-714 - [c4]Dan Zhao, Nathan C. Frey, Vijay Gadepally, Siddharth Samsi:
Loss Curve Approximations for Fast Neural Architecture Ranking & Training Elasticity Estimation. IPDPS Workshops 2022: 715-723 - [c3]Nathan C. Frey, Dan Zhao, Simon Axelrod, Michael Jones, David Bestor, Vijay Gadepally, Rafael Gómez-Bombarelli, Siddharth Samsi:
Energy-aware neural architecture selection and hyperparameter optimization. IPDPS Workshops 2022: 732-741 - [c2]Dan Zhao, Nathan C. Frey, Joseph McDonald, Matthew Hubbell, David Bestor, Michael Jones, Andrew Prout, Vijay Gadepally, Siddharth Samsi:
A Green(er) World for A.I. IPDPS Workshops 2022: 742-750 - [c1]Joseph McDonald, Baolin Li, Nathan C. Frey, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi:
Great Power, Great Responsibility: Recommendations for Reducing Energy for Training Language Models. NAACL-HLT (Findings) 2022: 1962-1970 - [i10]Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar:
FastFlows: Flow-Based Models for Molecular Graph Generation. CoRR abs/2201.12419 (2022) - [i9]Nathan C. Frey, Baolin Li, Joseph McDonald, Dan Zhao, Michael Jones, David Bestor, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi:
Benchmarking Resource Usage for Efficient Distributed Deep Learning. CoRR abs/2201.12423 (2022) - [i8]Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik:
SELFIES and the future of molecular string representations. CoRR abs/2204.00056 (2022) - [i7]Benny J. Tang, Qiqi Chen, Matthew L. Weiss, Nathan C. Frey, Joseph McDonald, David Bestor, Charles Yee, William Arcand, Chansup Byun, Daniel Edelman, Matthew Hubbell, Michael Jones, Jeremy Kepner, Anna Klein, Adam Michaleas, Peter Michaleas, Lauren Milechin, Julia S. Mullen, Andrew Prout, Albert Reuther, Antonio Rosa, Andrew Bowne, Lindsey McEvoy, Baolin Li, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi:
The MIT Supercloud Workload Classification Challenge. CoRR abs/2204.05839 (2022) - [i6]Joseph McDonald, Baolin Li, Nathan C. Frey, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi:
Great Power, Great Responsibility: Recommendations for Reducing Energy for Training Language Models. CoRR abs/2205.09646 (2022) - [i5]Natasa Tagasovska, Nathan C. Frey, Andreas Loukas, Isidro Hötzel, Julien Lafrance-Vanasse, Ryan Lewis Kelly, Yan Wu, Arvind Rajpal, Richard Bonneau, Kyunghyun Cho, Stephen Ra, Vladimir Gligorijevic:
A Pareto-optimal compositional energy-based model for sampling and optimization of protein sequences. CoRR abs/2210.10838 (2022) - [i4]Teddy Koker, Keegan Quigley, Will Spaeth, Nathan C. Frey, Lin Li:
Graph Contrastive Learning for Materials. CoRR abs/2211.13408 (2022) - 2021
- [i3]Matthew L. Weiss, Nathan C. Frey, Siddharth Samsi, Randy C. Paffenroth, Vijay Gadepally:
The Pseudo Projection Operator: Applications of Deep Learning to Projection Based Filtering in Non-Trivial Frequency Regimes. CoRR abs/2111.07140 (2021) - [i2]Nathan C. Frey, Siddharth Samsi, Joseph McDonald, Lin Li, Connor W. Coley, Vijay Gadepally:
Scalable Geometric Deep Learning on Molecular Graphs. CoRR abs/2112.03364 (2021) - [i1]Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar, Connor W. Coley, Vijay Gadepally:
Bringing Atomistic Deep Learning to Prime Time. CoRR abs/2112.04977 (2021)
Coauthor Index
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last updated on 2024-12-01 00:13 CET by the dblp team
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