Deepmind Technologies Limited

Gdm Holding LLC

Laurent Sifre

Hugo Penedones

Ruoxi Sun

Karen Simonyan

Koray Kavukcuoglu

Razvan Pascanu

Raia Thais Hadsell

Richard Andrew Evans

James Kirkpatrick

Hubert Josef Soyer

Misha Man Ray Denil

Sudarshan Kumaran

Andrew W Senior

Andrea Banino

Chongli Qin

John Jumper

Rostislav Goroshin

Fabio Viola

Piotr Wojciech Mirowski

Andrew James Ballard

Ilya Sutskever

David Silver

Thore Kurt Hartwig Graepel

Arthur Clement Guez

Christopher Maddison

Shih-Chieh Huang

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for performing protein structure prediction. In one aspect, a method comprises, at each of one or more iterations: determining an alternative predicted structure of a given protein defined by alternative values of structure parameters; processing, using a geometry neural network, a network input comprising: (i) a representation of a sequence of amino acid residues in the given protein, and (ii) the alternative values of the structure parameters, to generate an output characterizing an alternative geometry score that is an estimate of a similarity measure between the alternative predicted structure and the actual structure of the given protein.

Predicting protein structures using geometry neural networks that estimate similarity between predicted protein structures and actual protein structures

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for performing protein structure prediction. In one aspect, a method comprises generating a distance map for a given protein, wherein the given protein is defined by a sequence of amino acid residues arranged in a structure, wherein the distance map characterizes estimated distances between the amino acid residues in the structure, comprising: generating a plurality of distance map crops, wherein each distance map crop characterizes estimated distances between (i) amino acid residues in each of one or more respective first positions in the sequence and (ii) amino acid residues in each of one or more respective second positions in the sequence in the structure of the protein, wherein the first positions are a proper subset of the sequence; and generating the distance map for the given protein using the plurality of distance map crops.

Determining protein distance maps by combining distance maps crops

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for training a reinforcement learning system. In one aspect, a method of training an action selection policy neural network for use in selecting actions to be performed by an agent navigating through an environment to accomplish one or more goals comprises: receiving an observation image characterizing a current state of the environment; processing, using the action selection policy neural network, an input comprising the observation image to generate an action selection output; processing, using a geometry-prediction neural network, an intermediate output generated by the action selection policy neural network to predict a value of a feature of a geometry of the environment when in the current state; and backpropagating a gradient of a geometry-based auxiliary loss into the action selection policy neural network to determine a geometry-based auxiliary update for current values of the network parameters.

Environment navigation using reinforcement learning

Methods, systems and apparatus, including computer programs encoded on computer storage media, for training a value neural network that is configured to receive an observation characterizing a state of an environment being interacted with by an agent and to process the observation in accordance with parameters of the value neural network to generate a value score. One of the systems performs operations that include training a supervised learning policy neural network; initializing initial values of parameters of a reinforcement learning policy neural network having a same architecture as the supervised learning policy network to the trained values of the parameters of the supervised learning policy neural network; training the reinforcement learning policy neural network on second training data; and training the value neural network to generate a value score for the state of the environment that represents a predicted long-term reward resulting from the environment being in the state.

Selecting actions to be performed by a reinforcement learning agent using tree search

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Paris, France

Laurent Sifre