The game of Go has long been viewed as the most challenging of classic games for artificial intelligence owing to its enormous search space and the difficulty of evaluating board positions and moves. Here we introduce a new approach to computer Go that uses 'value networks' to evaluate board positions and 'policy networks' to select moves. These deep neural networks are trained by a novel combination of supervised learning from human expert games, and reinforcement learning from games of self-play. Without any lookahead search, the neural networks play Go at the level of state-of-the-art Monte Carlo tree search programs that simulate thousands of random games of self-play. We also introduce a new search algorithm that combines Monte Carlo simulation with value and policy networks. Using this search algorithm, our program AlphaGo achieved a 99.8% winning rate against other Go programs, and defeated the human European Go champion by 5 games to 0. This is the first time that a computer program has defeated a human professional player in the full-sized game of Go, a feat previously thought to be at least a decade away.

*These authors contributed equally to this work.A long-standing goal of artificial intelligence is an algorithm that learns, tabula rasa, superhuman proficiency in challenging domains. Recently, AlphaGo became the first program to defeat a world champion in the game of Go. The tree search in AlphaGo evaluated positions and selected moves using deep neural networks. These neural networks were trained by supervised learning from human expert moves, and by reinforcement learning from selfplay. Here, we introduce an algorithm based solely on reinforcement learning, without human data, guidance, or domain knowledge beyond game rules. AlphaGo becomes its own teacher: a neural network is trained to predict AlphaGo's own move selections and also the winner of AlphaGo's games. This neural network improves the strength of tree search, resulting in higher quality move selection and stronger self-play in the next iteration. Starting tabula rasa, our new program AlphaGo Zero achieved superhuman performance, winning 100-0 against the previously published, champion-defeating AlphaGo.Much progress towards artificial intelligence has been made using supervised learning systems that are trained to replicate the decisions of human experts [1][2][3][4] . However, expert data is often expensive, unreliable, or simply unavailable. Even when reliable data is available it may impose a ceiling on the performance of systems trained in this manner 5 . In contrast, reinforcement learning systems are trained from their own experience, in principle allowing them to exceed human capabilities, and to operate in domains where human expertise is lacking. Recently, there has been rapid progress towards this goal, using deep neural networks trained by reinforcement learning. initially by supervised learning to accurately predict human expert moves, and was subsequently refined by policy-gradient reinforcement learning. The value network was trained to predict the winner of games played by the policy network against itself. Once trained, these networks were combined with a Monte-Carlo Tree Search (MCTS) [13][14][15] to provide a lookahead search, using the policy network to narrow down the search to high-probability moves, and using the value network (in conjunction with Monte-Carlo rollouts using a fast rollout policy) to evaluate positions in the tree. A subsequent version, which we refer to as AlphaGo Lee, used a similar approach (see Methods), and defeated Lee Sedol, the winner of 18 international titles, in March 2016.Our program, AlphaGo Zero, differs from AlphaGo Fan and AlphaGo Lee 12 in several important aspects. First and foremost, it is trained solely by self-play reinforcement learning, starting from random play, without any supervision or use of human data. Second, it only uses the black and white stones from the board as input features. Third, it uses a single neural network, rather than separate policy and value networks. Finally, it uses a simpler tree search that relies upon this single neural network to evaluate positions and samp...

Protein structure prediction aims to determine the three-dimensional shape of a protein from its amino acid sequence 1. This problem is of fundamental importance to biology as the structure of a protein largely determines its function 2 but can be hard to determine experimentally. In recent years, considerable progress has been made by leveraging genetic information: analysing the co-variation of homologous sequences can allow one to infer which amino acid residues are in contact, which in turn can aid structure prediction 3. In this work, we show that we can train a neural network to accurately predict the distances between pairs of residues in a protein which convey more about structure than contact predictions. With this information we construct a potential of mean force 4 that can accurately describe the shape of a protein. We find that the resulting potential can be optimised by a simple gradient descent algorithm, to realise structures without the need for complex sampling procedures. The resulting system, named AlphaFold, has been shown to achieve high accuracy, even for sequences with relatively few homologous sequences. In the most recent Critical Assessment of Protein Structure Prediction 5 (CASP13), a blind assessment of the state of the field of protein structure prediction, AlphaFold created high-accuracy structures (with TM-scores † of 0.7 or higher) for 24 out of 43 free modelling domains whereas the next best method, using sampling and contact information, achieved such accuracy for only 14 out of 43 domains. AlphaFold represents a significant advance in protein structure prediction. We expect the increased accuracy of structure predictions for proteins to enable insights in understanding the function and malfunction of these proteins, especially in cases where no homologous proteins have been experimentally determined 7. Proteins are at the core of most biological processes. Since the function of a protein is dependent on its structure, understanding protein structure has been a grand challenge in biology for decades. While several experimental structure determination techniques have been developed † Template Modelling score 6 , between 0 and 1, measures the degree of match of the overall (backbone) shape of a proposed structure to a native structure.

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The game of chess is the longest-studied domain in the history of artificial intelligence. The strongest programs are based on a combination of sophisticated search techniques, domain-specific adaptations, and handcrafted evaluation functions that have been refined by human experts over several decades. By contrast, the AlphaGo Zero program recently achieved superhuman performance in the game of Go by reinforcement learning from self-play. In this paper, we generalize this approach into a single AlphaZero algorithm that can achieve superhuman performance in many challenging games. Starting from random play and given no domain knowledge except the game rules, AlphaZero convincingly defeated a world champion program in the games of chess and shogi (Japanese chess), as well as Go.

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An affine invariant representation is constructed with a cascade of invariants, which preserves information for classification. A joint translation and rotation invariant representation of image patches is calculated with a scattering transform. It is implemented with a deep convolution network, which computes successive wavelet transforms and modulus non-linearities. Invariants to scaling, shearing and small deformations are calculated with linear operators in the scattering domain. State-of-the-art classification results are obtained over texture databases with uncontrolled viewing conditions.

We describe AlphaFold, the protein structure prediction system that was entered by the group A7D in CASP13. Submissions were made by three free‐modeling (FM) methods which combine the predictions of three neural networks. All three systems were guided by predictions of distances between pairs of residues produced by a neural network. Two systems assembled fragments produced by a generative neural network, one using scores from a network trained to regress GDT_TS. The third system shows that simple gradient descent on a properly constructed potential is able to perform on par with more expensive traditional search techniques and without requiring domain segmentation. In the CASP13 FM assessors' ranking by summed z‐scores, this system scored highest with 68.3 vs 48.2 for the next closest group (an average GDT_TS of 61.4). The system produced high‐accuracy structures (with GDT_TS scores of 70 or higher) for 11 out of 43 FM domains. Despite not explicitly using template information, the results in the template category were comparable to the best performing template‐based methods.