Zobrazeno 1 - 10
of 14 552
pro vyhledávání: '"Guzik A"'
Bayesian optimization (BO) has become an indispensable tool for autonomous decision-making across diverse applications from autonomous vehicle control to accelerated drug and materials discovery. With the growing interest in self-driving laboratories
Externí odkaz:
http://arxiv.org/abs/2410.09290
Autor:
Du, Yuanqi, Plainer, Michael, Brekelmans, Rob, Duan, Chenru, Noé, Frank, Gomes, Carla P., Aspuru-Guzik, Alán, Neklyudov, Kirill
Rare event sampling in dynamical systems is a fundamental problem arising in the natural sciences, which poses significant computational challenges due to an exponentially large space of trajectories. For settings where the dynamical system of intere
Externí odkaz:
http://arxiv.org/abs/2410.07974
In machine learning datasets with symmetries, the paradigm for backward compatibility with symmetry-breaking has been to relax equivariant architectural constraints, engineering extra weights to differentiate symmetries of interest. However, this pro
Externí odkaz:
http://arxiv.org/abs/2410.03989
Autor:
Cheng, Austin, Ser, Cher Tian, Skreta, Marta, Guzmán-Cordero, Andrés, Thiede, Luca, Burger, Andreas, Aldossary, Abdulrahman, Leong, Shi Xuan, Pablo-García, Sergio, Strieth-Kalthoff, Felix, Aspuru-Guzik, Alán
Publikováno v:
Faraday Discuss., 2024
Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it is still not reaching its full potential or maturity. In this perspecti
Externí odkaz:
http://arxiv.org/abs/2409.10304
Autor:
Bagherimehrab, Mohsen, Berry, Dominic W., Schleich, Philipp, Aldossary, Abdulrahman, Angulo, Jorge A. Campos Gonzalez, Aspuru-Guzik, Alan
Hamiltonian simulation using product formulas is arguably the most straightforward and practical approach for algorithmic simulation of a quantum system's dynamics on a quantum computer. Here we present corrected product formulas (CPFs), a variation
Externí odkaz:
http://arxiv.org/abs/2409.08265
Understanding is a crucial yet elusive concept in artificial intelligence (AI). This work proposes a framework for analyzing understanding based on the notion of composability. Given any subject (e.g., a person or an AI), we suggest characterizing it
Externí odkaz:
http://arxiv.org/abs/2408.08463
Autor:
Wang, Haorui, Skreta, Marta, Ser, Cher-Tian, Gao, Wenhao, Kong, Lingkai, Strieth-Kalthoff, Felix, Duan, Chenru, Zhuang, Yuchen, Yu, Yue, Zhu, Yanqiao, Du, Yuanqi, Aspuru-Guzik, Alán, Neklyudov, Kirill, Zhang, Chao
Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in mo
Externí odkaz:
http://arxiv.org/abs/2406.16976
Autor:
Bellonzi, Nicole, Kunitsa, Alexander, Cantin, Joshua T., Campos-Gonzalez-Angulo, Jorge A., Radin, Maxwell D., Zhou, Yanbing, Johnson, Peter D., Martínez-Martínez, Luis A., Jangrouei, Mohammad Reza, Brahmachari, Aritra Sankar, Wang, Linjun, Patel, Smik, Kodrycka, Monika, Loaiza, Ignacio, Lang, Robert A., Aspuru-Guzik, Alán, Izmaylov, Artur F., Fontalvo, Jhonathan Romero, Cao, Yudong
The industrial manufacturing of chemicals consumes a significant amount of energy and raw materials. In principle, the development of new catalysts could greatly improve the efficiency of chemical production. However, the discovery of viable catalyst
Externí odkaz:
http://arxiv.org/abs/2406.06335
An Expanded Set of Los Alamos OPLIB Tables in MESA: Type-1 Rosseland-mean Opacities and Solar Models
Autor:
Farag, Ebraheem, Fontes, Christopher J., Timmes, F. X., Bellinger, Earl P., Guzik, Joyce A., Bauer, Evan B., Wood, Suzannah R., Mussack, Katie, Hakel, Peter, Colgan, James, Kilcrease, David P., Sherrill, Manolo E., Raecke, Tryston C., Chidester, Morgan T.
We present a set of 1194 Type-1 Rosseland-mean opacity tables for four different metallicity mixtures. These new Los Alamos OPLIB atomic radiative opacity tables are an order of magnitude larger in number than any previous opacity table release, and
Externí odkaz:
http://arxiv.org/abs/2406.02845
Autor:
Bhalotia, Vanshree, Huber, Daniel, van Saders, Jennifer L., Metcalfe, Travis S., Stassun, Keivan G., White, Timothy R., Børsen-Koch, Víctor Aguirre, Ball, Warrick H., Basu, Sarbani, Serenelli, Aldo M., Sawczynec, Erica, Guzik, Joyce A., Howard, Andrew W., Isaacson, Howard
Stellar spin down is a critical yet poorly understood component of stellar evolution. In particular, results from the Kepler Mission imply that mature age, solar-type stars have inefficient magnetic braking, resulting in a stalled spin down rate. How
Externí odkaz:
http://arxiv.org/abs/2405.12362