no code implementations • 25 Sep 2019 • Zaccary Alperstein, Artem Cherkasov, Jason Rolfe
Variational autoencoders (VAEs) defined over SMILES string and graph-based representations of molecules promise to improve the optimization of molecular properties, thereby revolutionizing the pharmaceuticals and materials industries.
no code implementations • 14 Nov 2016 • Dmytro Korenkevych, Yanbo Xue, Zhengbing Bian, Fabian Chudak, William G. Macready, Jason Rolfe, Evgeny Andriyash
We argue that this relates to the fact that we are training a quantum rather than classical Boltzmann distribution in this case.
no code implementations • 8 Jan 2016 • Mohammad H. Amin, Evgeny Andriyash, Jason Rolfe, Bohdan Kulchytskyy, Roger Melko
Inspired by the success of Boltzmann Machines based on classical Boltzmann distribution, we propose a new machine learning approach based on quantum Boltzmann distribution of a transverse-field Ising Hamiltonian.
Quantum Physics
no code implementations • 6 Dec 2013 • David Eigen, Jason Rolfe, Rob Fergus, Yann Lecun
A key challenge in designing convolutional network models is sizing them appropriately.