Skreta, Marta

9 publications

ICLR 2025 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao, Lingkai Kong, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Yuanqi Du, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICML 2025 Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts Marta Skreta, Tara Akhound-Sadegh, Viktor Ohanesian, Roberto Bondesan, Alan Aspuru-Guzik, Arnaud Doucet, Rob Brekelmans, Alexander Tong, Kirill Neklyudov

ICLRW 2025 Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts Marta Skreta, Tara Akhound-Sadegh, Viktor Ohanesian, Roberto Bondesan, Alan Aspuru-Guzik, Arnaud Doucet, Rob Brekelmans, Alexander Tong, Kirill Neklyudov

ICLR 2025 The Superposition of Diffusion Models Using the Itô Density Estimator Marta Skreta, Lazar Atanackovic, Joey Bose, Alexander Tong, Kirill Neklyudov

ICML 2024 A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization over Molecules? Agustinus Kristiadi, Felix Strieth-Kalthoff, Marta Skreta, Pascal Poupart, Alan Aspuru-Guzik, Geoff Pleiss

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICMLW 2024 PAIR: Boosting the Predictive Power of Protein Representations with a Corpus of Text Annotations Haonan Duan, Marta Skreta, Leonardo Cotta, Ella Miray Rajaonson, Nikita Dhawan, Alan Aspuru-Guzik, Chris J. Maddison

NeurIPS 2024 Quantum Deep Equilibrium Models Philipp Schleich, Marta Skreta, Lasse B. Kristensen, Rodrigo A. Vargas-Hernández, Alán Aspuru-Guzik