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25 papers
How does the primate brain combine generative and discriminative computations in vision?
Benjamin Peters, James J. DiCarlo, Todd Gureckis +10
Vision is widely understood as an inference problem. However, two contrasting conceptions of the inference process have each been influential in research on biological vision as we…
Inconsistent illusory motion in predictive coding deep neural networks
O. R. Kirubeswaran, Katherine R. Storrs
Why do we perceive illusory motion in some static images? Several accounts have been proposed based on eye movements, response latencies to different image elements, or interaction…
Reconstructing Kernel-based Machine Learning Force Fields with Super-linear Convergence
Stefan Blücher, Klaus-Robert Müller, Stefan Chmiela
Kernel machines have sustained continuous progress in the field of quantum chemistry. In particular, they have proven to be successful in the low-data regime of force field reconst…
Algorithmic Differentiation for Automated Modeling of Machine Learned Force Fields
Niklas Frederik Schmitz, Klaus-Robert Müller, Stefan Chmiela
Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data…
Super-resolution in Molecular Dynamics Trajectory Reconstruction with Bi-Directional Neural Networks
Ludwig Winkler, Klaus-Robert Müller, Huziel E. Sauceda
Molecular dynamics simulations are a cornerstone in science, allowing to investigate from the system's thermodynamics to analyse intricate molecular interactions. In general, to cr…
Automated Reinforcement Learning (AutoRL): A Survey and Open Problems
Jack Parker-Holder, Raghu Rajan, Xingyou Song +9
The combination of Reinforcement Learning (RL) with deep learning has led to a series of impressive feats, with many believing (deep) RL provides a path towards generally capable a…