No Arabic abstract
In many risk-aware and multi-objective reinforcement learning settings, the utility of the user is derived from the single execution of a policy. In these settings, making decisions based on the average future returns is not suitable. For example, in a medical setting a patient may only have one opportunity to treat their illness. When making a decision, just the expected return -- known in reinforcement learning as the value -- cannot account for the potential range of adverse or positive outcomes a decision may have. Our key insight is that we should use the distribution over expected future returns differently to represent the critical information that the agent requires at decision time. In this paper, we propose Distributional Monte Carlo Tree Search, an algorithm that learns a posterior distribution over the utility of the different possible returns attainable from individual policy executions, resulting in good policies for both risk-aware and multi-objective settings. Moreover, our algorithm outperforms the state-of-the-art in multi-objective reinforcement learning for the expected utility of the returns.
Despite its groundbreaking success in Go and computer games, Monte Carlo Tree Search (MCTS) is computationally expensive as it requires a substantial number of rollouts to construct the search tree, which calls for effective parallelization. However, how to design effective parallel MCTS algorithms has not been systematically studied and remains poorly understood. In this paper, we seek to lay its first theoretical foundation, by examining the potential performance loss caused by parallelization when achieving a desired speedup. In particular, we discover the necessary conditions of achieving a desirable parallelization performance, and highlight two of their practical benefits. First, by examining whether existing parallel MCTS algorithms satisfy these conditions, we identify key design principles that should be inherited by future algorithms, for example tracking the unobserved samples (used in WU-UCT (Liu et al., 2020)). We theoretically establish this essential design facilitates $mathcal{O} ( ln n + M / sqrt{ln n} )$ cumulative regret when the maximum tree depth is 2, where $n$ is the number of rollouts and $M$ is the number of workers. A regret of this form is highly desirable, as compared to $mathcal{O} ( ln n )$ regret incurred by a sequential counterpart, its excess part approaches zero as $n$ increases. Second, and more importantly, we demonstrate how the proposed necessary conditions can be adopted to design more effective parallel MCTS algorithms. To illustrate this, we propose a new parallel MCTS algorithm, called BU-UCT, by following our theoretical guidelines. The newly proposed algorithm, albeit preliminary, out-performs four competitive baselines on 11 out of 15 Atari games. We hope our theoretical results could inspire future work of more effective parallel MCTS.
Monte Carlo Tree Search (MCTS) has proven to be capable of solving challenging tasks in domains such as Go, chess and Atari. Previous research has developed parall
One challenging and essential task in biochemistry is the generation of novel molecules with desired properties. Novel molecule generation remains a challenge since the molecule space is difficult to navigate through, and the generated molecules should obey the rules of chemical valency. Through this work, we propose a novel method, which we call unitMCTS, to perform molecule generation by making a unit change to the molecule at every step using Monte Carlo Tree Search. We show that this method outperforms the recently published techniques on benchmark molecular optimization tasks such as QED and penalized logP. We also demonstrate the usefulness of this method in improving molecule properties while being similar to the starting molecule. Given that there is no learning involved, our method finds desired molecules within a shorter amount of time.
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.
Active Reinforcement Learning (ARL) is a twist on RL where the agent observes reward information only if it pays a cost. This subtle change makes exploration substantially more challenging. Powerful principles in RL like optimism, Thompson sampling, and random exploration do not help with ARL. We relate ARL in tabular environments to Bayes-Adaptive MDPs. We provide an ARL algorithm using Monte-Carlo Tree Search that is asymptotically Bayes optimal. Experimentally, this algorithm is near-optimal on small Bandit problems and MDPs. On larger MDPs it outperforms a Q-learner augmented with specialised heuristics for ARL. By analysing exploration behaviour in detail, we uncover obstacles to scaling up simulation-based algorithms for ARL.