Lars Buesing

Daniel Zheng, Ingrid von Glehn, Yori Zwols et al.

We introduce the AI co-mathematician, a workbench for mathematicians to interactively leverage AI agents to pursue open-ended research. The AI co-mathematician is optimized to provide holistic support for the exploratory and iterative reality of mathematical workflows, including ideation, literature search, computational exploration, theorem proving and theory building. By providing an asynchronous, stateful workspace that manages uncertainty, refines user intent, tracks failed hypotheses, and outputs native mathematical artifacts, the system mirrors human collaborative workflows. In early tests, the AI co-mathematician helped researchers solve open problems, identify new research directions, and uncover overlooked literature references. Besides demonstrating a highly interactive paradigm for AI-assisted mathematical discovery, the AI co-mathematician also achieves state of the art results on hard problem-solving benchmarks, including scoring 48% on FrontierMath Tier 4, a new high score among all AI systems evaluated.

Petar Veličković, Alex Vitvitskyi, Larisa Markeeva et al.

Recent years have seen a significant surge in complex AI systems for competitive programming, capable of performing at admirable levels against human competitors. While steady progress has been made, the highest percentiles still remain out of reach for these methods on standard competition platforms such as Codeforces. Here we instead focus on combinatorial competitive programming, where the target is to find as-good-as-possible solutions to otherwise computationally intractable problems, over specific given inputs. We hypothesise that this scenario offers a unique testbed for human-AI synergy, as human programmers can write a backbone of a heuristic solution, after which AI can be used to optimise the scoring function used by the heuristic. We deploy our approach on previous iterations of Hash Code, a global team programming competition inspired by NP-hard software engineering problems at Google, and we leverage FunSearch to evolve our scoring functions. Our evolved solutions significantly improve the attained scores from their baseline, successfully breaking into the top percentile on all previous Hash Code online qualification rounds, and outperforming the top human teams on several. Our method is also performant on an optimisation problem that featured in a recent held-out AtCoder contest.

Nenad Tomasev, Ioana Bica, Brian McWilliams et al.

Despite recent progress made by self-supervised methods in representation learning with residual networks, they still underperform supervised learning on the ImageNet classification benchmark, limiting their applicability in performance-critical settings. Building on prior theoretical insights from ReLIC [Mitrovic et al., 2021], we include additional inductive biases into self-supervised learning. We propose a new self-supervised representation learning method, ReLICv2, which combines an explicit invariance loss with a contrastive objective over a varied set of appropriately constructed data views to avoid learning spurious correlations and obtain more informative representations. ReLICv2 achieves $77.1\%$ top-$1$ accuracy on ImageNet under linear evaluation on a ResNet50, thus improving the previous state-of-the-art by absolute $+1.5\%$; on larger ResNet models, ReLICv2 achieves up to $80.6\%$ outperforming previous self-supervised approaches with margins up to $+2.3\%$. Most notably, ReLICv2 is the first unsupervised representation learning method to consistently outperform the supervised baseline in a like-for-like comparison over a range of ResNet architectures. Using ReLICv2, we also learn more robust and transferable representations that generalize better out-of-distribution than previous work, both on image classification and semantic segmentation. Finally, we show that despite using ResNet encoders, ReLICv2 is comparable to state-of-the-art self-supervised vision transformers.

Thomas Mesnard, Théophane Weber, Fabio Viola et al.

Credit assignment in reinforcement learning is the problem of measuring an action's influence on future rewards. In particular, this requires separating skill from luck, i.e. disentangling the effect of an action on rewards from that of external factors and subsequent actions. To achieve this, we adapt the notion of counterfactuals from causality theory to a model-free RL setup. The key idea is to condition value functions on future events, by learning to extract relevant information from a trajectory. We formulate a family of policy gradient algorithms that use these future-conditional value functions as baselines or critics, and show that they are provably low variance. To avoid the potential bias from conditioning on future information, we constrain the hindsight information to not contain information about the agent's actions. We demonstrate the efficacy and validity of our algorithm on a number of illustrative and challenging problems.

Jessica B. Hamrick, Abram L. Friesen, Feryal Behbahani et al.

Model-based planning is often thought to be necessary for deep, careful reasoning and generalization in artificial agents. While recent successes of model-based reinforcement learning (MBRL) with deep function approximation have strengthened this hypothesis, the resulting diversity of model-based methods has also made it difficult to track which components drive success and why. In this paper, we seek to disentangle the contributions of recent methods by focusing on three questions: (1) How does planning benefit MBRL agents? (2) Within planning, what choices drive performance? (3) To what extent does planning improve generalization? To answer these questions, we study the performance of MuZero (Schrittwieser et al., 2019), a state-of-the-art MBRL algorithm with strong connections and overlapping components with many other MBRL algorithms. We perform a number of interventions and ablations of MuZero across a wide range of environments, including control tasks, Atari, and 9x9 Go. Our results suggest the following: (1) Planning is most useful in the learning process, both for policy updates and for providing a more useful data distribution. (2) Using shallow trees with simple Monte-Carlo rollouts is as performant as more complex methods, except in the most difficult reasoning tasks. (3) Planning alone is insufficient to drive strong generalization. These results indicate where and how to utilize planning in reinforcement learning settings, and highlight a number of open questions for future MBRL research.

Jovana Mitrovic, Brian McWilliams, Jacob Walker et al.

Self-supervised learning has emerged as a strategy to reduce the reliance on costly supervised signal by pretraining representations only using unlabeled data. These methods combine heuristic proxy classification tasks with data augmentations and have achieved significant success, but our theoretical understanding of this success remains limited. In this paper we analyze self-supervised representation learning using a causal framework. We show how data augmentations can be more effectively utilized through explicit invariance constraints on the proxy classifiers employed during pretraining. Based on this, we propose a novel self-supervised objective, Representation Learning via Invariant Causal Mechanisms (ReLIC), that enforces invariant prediction of proxy targets across augmentations through an invariance regularizer which yields improved generalization guarantees. Further, using causality we generalize contrastive learning, a particular kind of self-supervised method, and provide an alternative theoretical explanation for the success of these methods. Empirically, ReLIC significantly outperforms competing methods in terms of robustness and out-of-distribution generalization on ImageNet, while also significantly outperforming these methods on Atari achieving above human-level performance on $51$ out of $57$ games.

Peter Karkus, Mehdi Mirza, Arthur Guez et al.

Intelligent robots need to achieve abstract objectives using concrete, spatiotemporally complex sensory information and motor control. Tabula rasa deep reinforcement learning (RL) has tackled demanding tasks in terms of either visual, abstract, or physical reasoning, but solving these jointly remains a formidable challenge. One recent, unsolved benchmark task that integrates these challenges is Mujoban, where a robot needs to arrange 3D warehouses generated from 2D Sokoban puzzles. We explore whether integrated tasks like Mujoban can be solved by composing RL modules together in a sense-plan-act hierarchy, where modules have well-defined roles similarly to classic robot architectures. Unlike classic architectures that are typically model-based, we use only model-free modules trained with RL or supervised learning. We find that our modular RL approach dramatically outperforms the state-of-the-art monolithic RL agent on Mujoban. Further, learned modules can be reused when, e.g., using a different robot platform to solve the same task. Together our results give strong evidence for the importance of research into modular RL designs. Project website: https://sites.google.com/view/modular-rl/

Mehdi Mirza, Andrew Jaegle, Jonathan J. Hunt et al.

Recent work in deep reinforcement learning (RL) has produced algorithms capable of mastering challenging games such as Go, chess, or shogi. In these works the RL agent directly observes the natural state of the game and controls that state directly with its actions. However, when humans play such games, they do not just reason about the moves but also interact with their physical environment. They understand the state of the game by looking at the physical board in front of them and modify it by manipulating pieces using touch and fine-grained motor control. Mastering complicated physical systems with abstract goals is a central challenge for artificial intelligence, but it remains out of reach for existing RL algorithms. To encourage progress towards this goal we introduce a set of physically embedded planning problems and make them publicly available. We embed challenging symbolic tasks (Sokoban, tic-tac-toe, and Go) in a physics engine to produce a set of tasks that require perception, reasoning, and motor control over long time horizons. Although existing RL algorithms can tackle the symbolic versions of these tasks, we find that they struggle to master even the simplest of their physically embedded counterparts. As a first step towards characterizing the space of solution to these tasks, we introduce a strong baseline that uses a pre-trained expert game player to provide hints in the abstract space to an RL agent's policy while training it on the full sensorimotor control task. The resulting agent solves many of the tasks, underlining the need for methods that bridge the gap between abstract planning and embodied control. See illustrating video at https://youtu.be/RwHiHlym_1k.

Petar Veličković, Lars Buesing, Matthew C. Overlan et al.

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the actual task the GNN is solving. In absence of reliable domain expertise, one might resort to inferring the latent graph structure, which is often difficult due to the vast search space of possible graphs. Here we introduce Pointer Graph Networks (PGNs) which augment sets or graphs with additional inferred edges for improved model generalisation ability. PGNs allow each node to dynamically point to another node, followed by message passing over these pointers. The sparsity of this adaptable graph structure makes learning tractable while still being sufficiently expressive to simulate complex algorithms. Critically, the pointing mechanism is directly supervised to model long-term sequences of operations on classical data structures, incorporating useful structural inductive biases from theoretical computer science. Qualitatively, we demonstrate that PGNs can learn parallelisable variants of pointer-based data structures, namely disjoint set unions and link/cut trees. PGNs generalise out-of-distribution to 5x larger test inputs on dynamic graph connectivity tasks, outperforming unrestricted GNNs and Deep Sets.

Giambattista Parascandolo, Lars Buesing, Josh Merel et al.

Standard planners for sequential decision making (including Monte Carlo planning, tree search, dynamic programming, etc.) are constrained by an implicit sequential planning assumption: The order in which a plan is constructed is the same in which it is executed. We consider alternatives to this assumption for the class of goal-directed Reinforcement Learning (RL) problems. Instead of an environment transition model, we assume an imperfect, goal-directed policy. This low-level policy can be improved by a plan, consisting of an appropriate sequence of sub-goals that guide it from the start to the goal state. We propose a planning algorithm, Divide-and-Conquer Monte Carlo Tree Search (DC-MCTS), for approximating the optimal plan by means of proposing intermediate sub-goals which hierarchically partition the initial tasks into simpler ones that are then solved independently and recursively. The algorithm critically makes use of a learned sub-goal proposal for finding appropriate partitions trees of new tasks based on prior experience. Different strategies for learning sub-goal proposals give rise to different planning strategies that strictly generalize sequential planning. We show that this algorithmic flexibility over planning order leads to improved results in navigation tasks in grid-worlds as well as in challenging continuous control environments.

Arthur Guez, Fabio Viola, Théophane Weber et al.

Value estimation is a critical component of the reinforcement learning (RL) paradigm. The question of how to effectively learn value predictors from data is one of the major problems studied by the RL community, and different approaches exploit structure in the problem domain in different ways. Model learning can make use of the rich transition structure present in sequences of observations, but this approach is usually not sensitive to the reward function. In contrast, model-free methods directly leverage the quantity of interest from the future, but receive a potentially weak scalar signal (an estimate of the return). We develop an approach for representation learning in RL that sits in between these two extremes: we propose to learn what to model in a way that can directly help value prediction. To this end, we determine which features of the future trajectory provide useful information to predict the associated return. This provides tractable prediction targets that are directly relevant for a task, and can thus accelerate learning the value function. The idea can be understood as reasoning, in hindsight, about which aspects of the future observations could help past value prediction. We show how this can help dramatically even in simple policy evaluation settings. We then test our approach at scale in challenging domains, including on 57 Atari 2600 games.

Danilo J. Rezende, Ivo Danihelka, George Papamakarios et al.

In reinforcement learning, we can learn a model of future observations and rewards, and use it to plan the agent's next actions. However, jointly modeling future observations can be computationally expensive or even intractable if the observations are high-dimensional (e.g. images). For this reason, previous works have considered partial models, which model only part of the observation. In this paper, we show that partial models can be causally incorrect: they are confounded by the observations they don't model, and can therefore lead to incorrect planning. To address this, we introduce a general family of partial models that are provably causally correct, yet remain fast because they do not need to fully model future observations.

Jessica B. Hamrick, Victor Bapst, Alvaro Sanchez-Gonzalez et al.

We introduce "Search with Amortized Value Estimates" (SAVE), an approach for combining model-free Q-learning with model-based Monte-Carlo Tree Search (MCTS). In SAVE, a learned prior over state-action values is used to guide MCTS, which estimates an improved set of state-action values. The new Q-estimates are then used in combination with real experience to update the prior. This effectively amortizes the value computation performed by MCTS, resulting in a cooperative relationship between model-free learning and model-based search. SAVE can be implemented on top of any Q-learning agent with access to a model, which we demonstrate by incorporating it into agents that perform challenging physical reasoning tasks and Atari. SAVE consistently achieves higher rewards with fewer training steps, and---in contrast to typical model-based search approaches---yields strong performance with very small search budgets. By combining real experience with information computed during search, SAVE demonstrates that it is possible to improve on both the performance of model-free learning and the computational cost of planning.

Lars Buesing, Nicolas Heess, Theophane Weber

A plethora of problems in AI, engineering and the sciences are naturally formalized as inference in discrete probabilistic models. Exact inference is often prohibitively expensive, as it may require evaluating the (unnormalized) target density on its entire domain. Here we consider the setting where only a limited budget of calls to the unnormalized density oracle is available, raising the challenge of where in the domain to allocate these function calls in order to construct a good approximate solution. We formulate this problem as an instance of sequential decision-making under uncertainty and leverage methods from reinforcement learning for probabilistic inference with budget constraints. In particular, we propose the TreeSample algorithm, an adaptation of Monte Carlo Tree Search to approximate inference. This algorithm caches all previous queries to the density oracle in an explicit search tree, and dynamically allocates new queries based on a "best-first" heuristic for exploration, using existing upper confidence bound methods. Our non-parametric inference method can be effectively combined with neural networks that compile approximate conditionals of the target, which are then used to guide the inference search and enable generalization across multiple target distributions. We show empirically that TreeSample outperforms standard approximate inference methods on synthetic factor graphs.

Théophane Weber, Nicolas Heess, Lars Buesing et al.

Stochastic computation graphs (SCGs) provide a formalism to represent structured optimization problems arising in artificial intelligence, including supervised, unsupervised, and reinforcement learning. Previous work has shown that an unbiased estimator of the gradient of the expected loss of SCGs can be derived from a single principle. However, this estimator often has high variance and requires a full model evaluation per data point, making this algorithm costly in large graphs. In this work, we address these problems by generalizing concepts from the reinforcement learning literature. We introduce the concepts of value functions, baselines and critics for arbitrary SCGs, and show how to use them to derive lower-variance gradient estimates from partial model evaluations, paving the way towards general and efficient credit assignment for gradient-based optimization. In doing so, we demonstrate how our results unify recent advances in the probabilistic inference and reinforcement learning literature.

Lars Buesing, Theophane Weber, Yori Zwols et al.

Learning policies on data synthesized by models can in principle quench the thirst of reinforcement learning algorithms for large amounts of real experience, which is often costly to acquire. However, simulating plausible experience de novo is a hard problem for many complex environments, often resulting in biases for model-based policy evaluation and search. Instead of de novo synthesis of data, here we assume logged, real experience and model alternative outcomes of this experience under counterfactual actions, actions that were not actually taken. Based on this, we propose the Counterfactually-Guided Policy Search (CF-GPS) algorithm for learning policies in POMDPs from off-policy experience. It leverages structural causal models for counterfactual evaluation of arbitrary policies on individual off-policy episodes. CF-GPS can improve on vanilla model-based RL algorithms by making use of available logged data to de-bias model predictions. In contrast to off-policy algorithms based on Importance Sampling which re-weight data, CF-GPS leverages a model to explicitly consider alternative outcomes, allowing the algorithm to make better use of experience data. We find empirically that these advantages translate into improved policy evaluation and search results on a non-trivial grid-world task. Finally, we show that CF-GPS generalizes the previously proposed Guided Policy Search and that reparameterization-based algorithms such Stochastic Value Gradient can be interpreted as counterfactual methods.

Karol Gregor, George Papamakarios, Frederic Besse et al.

To act and plan in complex environments, we posit that agents should have a mental simulator of the world with three characteristics: (a) it should build an abstract state representing the condition of the world; (b) it should form a belief which represents uncertainty on the world; (c) it should go beyond simple step-by-step simulation, and exhibit temporal abstraction. Motivated by the absence of a model satisfying all these requirements, we propose TD-VAE, a generative sequence model that learns representations containing explicit beliefs about states several steps into the future, and that can be rolled out directly without single-step transitions. TD-VAE is trained on pairs of temporally separated time points, using an analogue of temporal difference learning used in reinforcement learning.

Lars Buesing, Theophane Weber, Sebastien Racaniere et al.

A key challenge in model-based reinforcement learning (RL) is to synthesize computationally efficient and accurate environment models. We show that carefully designed generative models that learn and operate on compact state representations, so-called state-space models, substantially reduce the computational costs for predicting outcomes of sequences of actions. Extensive experiments establish that state-space models accurately capture the dynamics of Atari games from the Arcade Learning Environment from raw pixels. The computational speed-up of state-space models while maintaining high accuracy makes their application in RL feasible: We demonstrate that agents which query these models for decision making outperform strong model-free baselines on the game MSPACMAN, demonstrating the potential of using learned environment models for planning.

Artur Speiser, Jinyao Yan, Evan Archer et al.

Calcium imaging permits optical measurement of neural activity. Since intracellular calcium concentration is an indirect measurement of neural activity, computational tools are necessary to infer the true underlying spiking activity from fluorescence measurements. Bayesian model inversion can be used to solve this problem, but typically requires either computationally expensive MCMC sampling, or faster but approximate maximum-a-posteriori optimization. Here, we introduce a flexible algorithmic framework for fast, efficient and accurate extraction of neural spikes from imaging data. Using the framework of variational autoencoders, we propose to amortize inference by training a deep neural network to perform model inversion efficiently. The recognition network is trained to produce samples from the posterior distribution over spike trains. Once trained, performing inference amounts to a fast single forward pass through the network, without the need for iterative optimization or sampling. We show that amortization can be applied flexibly to a wide range of nonlinear generative models and significantly improves upon the state of the art in computation time, while achieving competitive accuracy. Our framework is also able to represent posterior distributions over spike-trains. We demonstrate the generality of our method by proposing the first probabilistic approach for separating backpropagating action potentials from putative synaptic inputs in calcium imaging of dendritic spines.

Théophane Weber, Sébastien Racanière, David P. Reichert et al.

We introduce Imagination-Augmented Agents (I2As), a novel architecture for deep reinforcement learning combining model-free and model-based aspects. In contrast to most existing model-based reinforcement learning and planning methods, which prescribe how a model should be used to arrive at a policy, I2As learn to interpret predictions from a learned environment model to construct implicit plans in arbitrary ways, by using the predictions as additional context in deep policy networks. I2As show improved data efficiency, performance, and robustness to model misspecification compared to several baselines.

Razvan Pascanu, Yujia Li, Oriol Vinyals et al.

Conventional wisdom holds that model-based planning is a powerful approach to sequential decision-making. It is often very challenging in practice, however, because while a model can be used to evaluate a plan, it does not prescribe how to construct a plan. Here we introduce the "Imagination-based Planner", the first model-based, sequential decision-making agent that can learn to construct, evaluate, and execute plans. Before any action, it can perform a variable number of imagination steps, which involve proposing an imagined action and evaluating it with its model-based imagination. All imagined actions and outcomes are aggregated, iteratively, into a "plan context" which conditions future real and imagined actions. The agent can even decide how to imagine: testing out alternative imagined actions, chaining sequences of actions together, or building a more complex "imagination tree" by navigating flexibly among the previously imagined states using a learned policy. And our agent can learn to plan economically, jointly optimizing for external rewards and computational costs associated with using its imagination. We show that our architecture can learn to solve a challenging continuous control problem, and also learn elaborate planning strategies in a discrete maze-solving task. Our work opens a new direction toward learning the components of a model-based planning system and how to use them.

Evan Archer, Il Memming Park, Lars Buesing et al.

Latent variable time-series models are among the most heavily used tools from machine learning and applied statistics. These models have the advantage of learning latent structure both from noisy observations and from the temporal ordering in the data, where it is assumed that meaningful correlation structure exists across time. A few highly-structured models, such as the linear dynamical system with linear-Gaussian observations, have closed-form inference procedures (e.g. the Kalman Filter), but this case is an exception to the general rule that exact posterior inference in more complex generative models is intractable. Consequently, much work in time-series modeling focuses on approximate inference procedures for one particular class of models. Here, we extend recent developments in stochastic variational inference to develop a `black-box' approximate inference technique for latent variable models with latent dynamical structure. We propose a structured Gaussian variational approximate posterior that carries the same intuition as the standard Kalman filter-smoother but, importantly, permits us to use the same inference approach to approximate the posterior of much more general, nonlinear latent variable generative models. We show that our approach recovers accurate estimates in the case of basic models with closed-form posteriors, and more interestingly performs well in comparison to variational approaches that were designed in a bespoke fashion for specific non-conjugate models.

Mijung Park, Wittawat Jitkrittum, Ahmad Qamar et al.

We introduce the Locally Linear Latent Variable Model (LL-LVM), a probabilistic model for non-linear manifold discovery that describes a joint distribution over observations, their manifold coordinates and locally linear maps conditioned on a set of neighbourhood relationships. The model allows straightforward variational optimisation of the posterior distribution on coordinates and locally linear maps from the latent space to the observation space given the data. Thus, the LL-LVM encapsulates the local-geometry preserving intuitions that underlie non-probabilistic methods such as locally linear embedding (LLE). Its probabilistic semantics make it easy to evaluate the quality of hypothesised neighbourhood relationships, select the intrinsic dimensionality of the manifold, construct out-of-sample extensions and to combine the manifold model with additional probabilistic models that capture the structure of coordinates within the manifold.