Luca A. Thiede

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 7

Top Topics

Boundary Conditions

Multiarmed Bandit

Reinforcement Learning

Top Venues

Mach. Learn. Sci. Technol.

Publications

Alexandra Volokhova, Michal Koziarski, Alex Hernández-García, Cheng-Hao Liu, Santiago Miret, Pablo Lemos, Luca A. Thiede, Zichao Yan, Alán Aspuru-Guzik, Yoshua Bengio
Towards equilibrium molecular conformation generation with GFlowNets. CoRR (2023)
Jack Richter-Powell, Luca A. Thiede, Alán Aspuru-Guzik, David Duvenaud
Sorting Out Quantum Monte Carlo. CoRR (2023)
AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design. NeurIPS (2023)
AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design. CoRR (2022)
Luca A. Thiede, Mario Krenn, AkshatKumar Nigam, Alán Aspuru-Guzik
Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning. Mach. Learn. Sci. Technol. 3 (3) (2022)
Luca A. Thiede, Chong Sun, Alán Aspuru-Guzik
Waveflow: Enforcing boundary conditions in smooth normalizing flows with application to fermionic wave functions. CoRR (2022)
Luca A. Thiede, Mario Krenn, AkshatKumar Nigam, Alán Aspuru-Guzik
Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning. CoRR (2020)