Remi Lam, Alvaro Sanchez-Gonzalez, Matthew Willson et al. · deepmind
Global medium-range weather forecasting is critical to decision-making across many social and economic domains. Traditional numerical weather prediction uses increased compute resources to improve forecast accuracy, but cannot directly use historical weather data to improve the underlying model. We introduce a machine learning-based method called "GraphCast", which can be trained directly from reanalysis data. It predicts hundreds of weather variables, over 10 days at 0.25 degree resolution globally, in under one minute. We show that GraphCast significantly outperforms the most accurate operational deterministic systems on 90% of 1380 verification targets, and its forecasts support better severe event prediction, including tropical cyclones, atmospheric rivers, and extreme temperatures. GraphCast is a key advance in accurate and efficient weather forecasting, and helps realize the promise of machine learning for modeling complex dynamical systems.
Meire Fortunato, Tobias Pfaff, Peter Wirnsberger et al.
In recent years, there has been a growing interest in using machine learning to overcome the high cost of numerical simulation, with some learned models achieving impressive speed-ups over classical solvers whilst maintaining accuracy. However, these methods are usually tested at low-resolution settings, and it remains to be seen whether they can scale to the costly high-resolution simulations that we ultimately want to tackle. In this work, we propose two complementary approaches to improve the framework from MeshGraphNets, which demonstrated accurate predictions in a broad range of physical systems. MeshGraphNets relies on a message passing graph neural network to propagate information, and this structure becomes a limiting factor for high-resolution simulations, as equally distant points in space become further apart in graph space. First, we demonstrate that it is possible to learn accurate surrogate dynamics of a high-resolution system on a much coarser mesh, both removing the message passing bottleneck and improving performance; and second, we introduce a hierarchical approach (MultiScale MeshGraphNets) which passes messages on two different resolutions (fine and coarse), significantly improving the accuracy of MeshGraphNets while requiring less computational resources.
Peter Wirnsberger, George Papamakarios, Borja Ibarz et al.
We present a machine-learning approach, based on normalizing flows, for modelling atomic solids. Our model transforms an analytically tractable base distribution into the target solid without requiring ground-truth samples for training. We report Helmholtz free energy estimates for cubic and hexagonal ice modelled as monatomic water as well as for a truncated and shifted Lennard-Jones system, and find them to be in excellent agreement with literature values and with estimates from established baseline methods. We further investigate structural properties and show that the model samples are nearly indistinguishable from the ones obtained with molecular dynamics. Our results thus demonstrate that normalizing flows can provide high-quality samples and free energy estimates without the need for multi-staging.
Adrià Puigdomènech Badia, Pablo Sprechmann, Alex Vitvitskyi et al.
We propose a reinforcement learning agent to solve hard exploration games by learning a range of directed exploratory policies. We construct an episodic memory-based intrinsic reward using k-nearest neighbors over the agent's recent experience to train the directed exploratory policies, thereby encouraging the agent to repeatedly revisit all states in its environment. A self-supervised inverse dynamics model is used to train the embeddings of the nearest neighbour lookup, biasing the novelty signal towards what the agent can control. We employ the framework of Universal Value Function Approximators (UVFA) to simultaneously learn many directed exploration policies with the same neural network, with different trade-offs between exploration and exploitation. By using the same neural network for different degrees of exploration/exploitation, transfer is demonstrated from predominantly exploratory policies yielding effective exploitative policies. The proposed method can be incorporated to run with modern distributed RL agents that collect large amounts of experience from many actors running in parallel on separate environment instances. Our method doubles the performance of the base agent in all hard exploration in the Atari-57 suite while maintaining a very high score across the remaining games, obtaining a median human normalised score of 1344.0%. Notably, the proposed method is the first algorithm to achieve non-zero rewards (with a mean score of 8,400) in the game of Pitfall! without using demonstrations or hand-crafted features.
Pedro A. Ortega, Jane X. Wang, Mark Rowland et al.
In this report we review memory-based meta-learning as a tool for building sample-efficient strategies that learn from past experience to adapt to any task within a target class. Our goal is to equip the reader with the conceptual foundations of this tool for building new, scalable agents that operate on broad domains. To do so, we present basic algorithmic templates for building near-optimal predictors and reinforcement learners which behave as if they had a probabilistic model that allowed them to efficiently exploit task structure. Furthermore, we recast memory-based meta-learning within a Bayesian framework, showing that the meta-learned strategies are near-optimal because they amortize Bayes-filtered data, where the adaptation is implemented in the memory dynamics as a state-machine of sufficient statistics. Essentially, memory-based meta-learning translates the hard problem of probabilistic sequential inference into a regression problem.
Steven Hansen, Pablo Sprechmann, Alexander Pritzel et al.
We propose Ephemeral Value Adjusments (EVA): a means of allowing deep reinforcement learning agents to rapidly adapt to experience in their replay buffer. EVA shifts the value predicted by a neural network with an estimate of the value function found by planning over experience tuples from the replay buffer near the current state. EVA combines a number of recent ideas around combining episodic memory-like structures into reinforcement learning agents: slot-based storage, content-based retrieval, and memory-based planning. We show that EVAis performant on a demonstration task and Atari games.
Chrisantha Thomas Fernando, Jakub Sygnowski, Simon Osindero et al.
The scope of the Baldwin effect was recently called into question by two papers that closely examined the seminal work of Hinton and Nowlan. To this date there has been no demonstration of its necessity in empirically challenging tasks. Here we show that the Baldwin effect is capable of evolving few-shot supervised and reinforcement learning mechanisms, by shaping the hyperparameters and the initial parameters of deep learning algorithms. Furthermore it can genetically accommodate strong learning biases on the same set of problems as a recent machine learning algorithm called MAML "Model Agnostic Meta-Learning" which uses second-order gradients instead of evolution to learn a set of reference parameters (initial weights) that can allow rapid adaptation to tasks sampled from a distribution. Whilst in simple cases MAML is more data efficient than the Baldwin effect, the Baldwin effect is more general in that it does not require gradients to be backpropagated to the reference parameters or hyperparameters, and permits effectively any number of gradient updates in the inner loop. The Baldwin effect learns strong learning dependent biases, rather than purely genetically accommodating fixed behaviours in a learning independent manner.
Marco Fraccaro, Danilo Jimenez Rezende, Yori Zwols et al.
In model-based reinforcement learning, generative and temporal models of environments can be leveraged to boost agent performance, either by tuning the agent's representations during training or via use as part of an explicit planning mechanism. However, their application in practice has been limited to simplistic environments, due to the difficulty of training such models in larger, potentially partially-observed and 3D environments. In this work we introduce a novel action-conditioned generative model of such challenging environments. The model features a non-parametric spatial memory system in which we store learned, disentangled representations of the environment. Low-dimensional spatial updates are computed using a state-space model that makes use of knowledge on the prior dynamics of the moving agent, and high-dimensional visual observations are modelled with a Variational Auto-Encoder. The result is a scalable architecture capable of performing coherent predictions over hundreds of time steps across a range of partially observed 2D and 3D environments.
Pablo Sprechmann, Siddhant M. Jayakumar, Jack W. Rae et al.
Deep neural networks have excelled on a wide range of problems, from vision to language and game playing. Neural networks very gradually incorporate information into weights as they process data, requiring very low learning rates. If the training distribution shifts, the network is slow to adapt, and when it does adapt, it typically performs badly on the training distribution before the shift. Our method, Memory-based Parameter Adaptation, stores examples in memory and then uses a context-based lookup to directly modify the weights of a neural network. Much higher learning rates can be used for this local adaptation, reneging the need for many iterations over similar data before good predictions can be made. As our method is memory-based, it alleviates several shortcomings of neural networks, such as catastrophic forgetting, fast, stable acquisition of new knowledge, learning with an imbalanced class labels, and fast learning during evaluation. We demonstrate this on a range of supervised tasks: large-scale image classification and language modelling.
Domain adaptation is an important open problem in deep reinforcement learning (RL). In many scenarios of interest data is hard to obtain, so agents may learn a source policy in a setting where data is readily available, with the hope that it generalises well to the target domain. We propose a new multi-stage RL agent, DARLA (DisentAngled Representation Learning Agent), which learns to see before learning to act. DARLA's vision is based on learning a disentangled representation of the observed environment. Once DARLA can see, it is able to acquire source policies that are robust to many domain shifts - even with no access to the target domain. DARLA significantly outperforms conventional baselines in zero-shot domain adaptation scenarios, an effect that holds across a variety of RL environments (Jaco arm, DeepMind Lab) and base RL algorithms (DQN, A3C and EC).
Alexander Pritzel, Benigno Uria, Sriram Srinivasan et al.
Deep reinforcement learning methods attain super-human performance in a wide range of environments. Such methods are grossly inefficient, often taking orders of magnitudes more data than humans to achieve reasonable performance. We propose Neural Episodic Control: a deep reinforcement learning agent that is able to rapidly assimilate new experiences and act upon them. Our agent uses a semi-tabular representation of the value function: a buffer of past experience containing slowly changing state representations and rapidly updated estimates of the value function. We show across a wide range of environments that our agent learns significantly faster than other state-of-the-art, general purpose deep reinforcement learning agents.
Chrisantha Fernando, Dylan Banarse, Charles Blundell et al.
For artificial general intelligence (AGI) it would be efficient if multiple users trained the same giant neural network, permitting parameter reuse, without catastrophic forgetting. PathNet is a first step in this direction. It is a neural network algorithm that uses agents embedded in the neural network whose task is to discover which parts of the network to re-use for new tasks. Agents are pathways (views) through the network which determine the subset of parameters that are used and updated by the forwards and backwards passes of the backpropogation algorithm. During learning, a tournament selection genetic algorithm is used to select pathways through the neural network for replication and mutation. Pathway fitness is the performance of that pathway measured according to a cost function. We demonstrate successful transfer learning; fixing the parameters along a path learned on task A and re-evolving a new population of paths for task B, allows task B to be learned faster than it could be learned from scratch or after fine-tuning. Paths evolved on task B re-use parts of the optimal path evolved on task A. Positive transfer was demonstrated for binary MNIST, CIFAR, and SVHN supervised learning classification tasks, and a set of Atari and Labyrinth reinforcement learning tasks, suggesting PathNets have general applicability for neural network training. Finally, PathNet also significantly improves the robustness to hyperparameter choices of a parallel asynchronous reinforcement learning algorithm (A3C).
Balaji Lakshminarayanan, Alexander Pritzel, Charles Blundell
Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs, which learn a distribution over weights, are currently the state-of-the-art for estimating predictive uncertainty; however these require significant modifications to the training procedure and are computationally expensive compared to standard (non-Bayesian) NNs. We propose an alternative to Bayesian NNs that is simple to implement, readily parallelizable, requires very little hyperparameter tuning, and yields high quality predictive uncertainty estimates. Through a series of experiments on classification and regression benchmarks, we demonstrate that our method produces well-calibrated uncertainty estimates which are as good or better than approximate Bayesian NNs. To assess robustness to dataset shift, we evaluate the predictive uncertainty on test examples from known and unknown distributions, and show that our method is able to express higher uncertainty on out-of-distribution examples. We demonstrate the scalability of our method by evaluating predictive uncertainty estimates on ImageNet.
Charles Blundell, Benigno Uria, Alexander Pritzel et al.
State of the art deep reinforcement learning algorithms take many millions of interactions to attain human-level performance. Humans, on the other hand, can very quickly exploit highly rewarding nuances of an environment upon first discovery. In the brain, such rapid learning is thought to depend on the hippocampus and its capacity for episodic memory. Here we investigate whether a simple model of hippocampal episodic control can learn to solve difficult sequential decision-making tasks. We demonstrate that it not only attains a highly rewarding strategy significantly faster than state-of-the-art deep reinforcement learning algorithms, but also achieves a higher overall reward on some of the more challenging domains.
Ian Osband, Charles Blundell, Alexander Pritzel et al.
Efficient exploration in complex environments remains a major challenge for reinforcement learning. We propose bootstrapped DQN, a simple algorithm that explores in a computationally and statistically efficient manner through use of randomized value functions. Unlike dithering strategies such as epsilon-greedy exploration, bootstrapped DQN carries out temporally-extended (or deep) exploration; this can lead to exponentially faster learning. We demonstrate these benefits in complex stochastic MDPs and in the large-scale Arcade Learning Environment. Bootstrapped DQN substantially improves learning times and performance across most Atari games.
Timothy P. Lillicrap, Jonathan J. Hunt, Alexander Pritzel et al.
We adapt the ideas underlying the success of Deep Q-Learning to the continuous action domain. We present an actor-critic, model-free algorithm based on the deterministic policy gradient that can operate over continuous action spaces. Using the same learning algorithm, network architecture and hyper-parameters, our algorithm robustly solves more than 20 simulated physics tasks, including classic problems such as cartpole swing-up, dexterous manipulation, legged locomotion and car driving. Our algorithm is able to find policies whose performance is competitive with those found by a planning algorithm with full access to the dynamics of the domain and its derivatives. We further demonstrate that for many of the tasks the algorithm can learn policies end-to-end: directly from raw pixel inputs.