Applications of Variational Autoencoders and Bayesian Optimization with José Miguel Hernández Lobato
EPISODE 510
|
AUGUST
16,
2021
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About this Episode
In this episode, we're joined by Jos� Miguel Hernández-Lobato, a university lecturer in machine learning at the University of Cambridge. In our conversation with Miguel, we explore his work at the intersection of Bayesian learning and deep learning.
We discuss how he's been applying this to the field of molecular design and discovery via two different methods, with one paper searching for possible chemical reactions, and the other doing the same, but in 3D and in 3D space. We also discuss the challenges of sample efficiency, creating objective functions, and how those manifest themselves in these experiments, and how he integrated the Bayesian approach to RL problems. We also talk through a handful of other papers that Miguel has presented at recent conferences, which are all linked below.
About the Guest
José Miguel Hernández Lobato
University of Cambridge, UK.
Resources
- Paper: Barking up the right tree: an approach to search over molecule synthesis DAGs.
- Paper: Symmetry-Aware Actor-Critic for 3D Molecular Design.
- Paper: Compressing Images by Encoding Their Latent Representations with Relative Entropy Coding.
- Paper: Minimal Random Code Learning: Getting Bits Back from Compressed Model Parameters.
- Paper: Nonlinear Invariant Risk Minimization: A Causal Approach
- Paper: Black-box α-divergence for Deep Generative Models
- Paper: A General Framework for Constrained Bayesian Optimization using Information-based Search
- Paper: Activation-level uncertainty in deep neural networks
- Paper: Symmetry-Aware Actor-Critic for 3D Molecular Design
- Paper: Sliced Kernelized Stein Discrepancy
- Paper: Getting a CLUE: A Method for Explaining Uncertainty Estimates
- Paper: Activation-level uncertainty in deep neural networks.
- Paper: Symmetry-Aware Actor-Critic for 3D Molecular Design.
- Paper: Sliced Kernelized Stein Discrepancy.
- Paper: Getting a CLUE: A Method for Explaining Uncertainty Estimates.