A Unified View of TD Algorithms; Introducing Full-Gradient TD and Equi-Gradient Descent TD

International audienceThis paper addresses the issue of policy evaluation in Markov Decision Processes, using linear function approximation. It provides a unified view of algorithms such as TD(lambda), LSTD(lambda), iLSTD, residual-gradient TD. It is asserted that they all consist in minimizing a gradient function and differ by the form of this function and their means of minimizing it. Two new schemes are introduced in that framework: Full-gradient TD which uses a generalization of the principle introduced in iLSTD, and EGD TD, which reduces the gradient by successive equi-gradient descents. These three algorithms form a new intermediate family with the interesting property of making much better use of the samples than TD while keeping a gradient descent scheme, which is useful for complexity issues and optimistic policy iteration

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind, i.e., to provide a unique framework that allows us to describe non-equilibrium phenomena in molecular complexes, low dimensional materials, and extended systems by accounting for electronic, ionic, and photon quantum mechanical effects within a generalized time-dependent density functional theory. This article aims to present the new features that have been implemented over the last few years, including technical developments related to performance and massive parallelism. We also describe the major theoretical developments to address ultrafast light-driven processes, such as the new theoretical framework of quantum electrodynamics density-functional formalism for the description of novel light-matter hybrid states. Those advances, and others being released soon as part of the Octopus package, will allow the scientific community to simulate and characterize spatial and time-resolved spectroscopies, ultrafast phenomena in molecules and materials, and new emergent states of matter (quantum electrodynamical-materials)

Many-agent Reinforcement Learning

Multi-agent reinforcement learning (RL) solves the problem of how each agent should behave optimally in a stochastic environment in which multiple agents are learning simultaneously. It is an interdisciplinary domain with a long history that lies in the joint area of psychology, control theory, game theory, reinforcement learning, and deep learning. Following the remarkable success of the AlphaGO series in single-agent RL, 2019 was a booming year that witnessed significant advances in multi-agent RL techniques; impressive breakthroughs have been made on developing AIs that outperform humans on many challenging tasks, especially multi-player video games. Nonetheless, one of the key challenges of multi-agent RL techniques is the scalability; it is still non-trivial to design efficient learning algorithms that can solve tasks including far more than two agents ($N \gg 2$), which I name by \emph{many-agent reinforcement learning} (MARL\footnote{I use the world of ``MARL" to denote multi-agent reinforcement learning with a particular focus on the cases of many agents; otherwise, it is denoted as ``Multi-Agent RL" by default.}) problems. In this thesis, I contribute to tackling MARL problems from four aspects. Firstly, I offer a self-contained overview of multi-agent RL techniques from a game-theoretical perspective. This overview fills the research gap that most of the existing work either fails to cover the recent advances since 2010 or does not pay adequate attention to game theory, which I believe is the cornerstone to solving many-agent learning problems. Secondly, I develop a tractable policy evaluation algorithm -- $\alpha^\alpha$-Rank -- in many-agent systems. The critical advantage of $\alpha^\alpha$-Rank is that it can compute the solution concept of $\alpha$-Rank tractably in multi-player general-sum games with no need to store the entire pay-off matrix. This is in contrast to classic solution concepts such as Nash equilibrium which is known to be $PPAD$-hard in even two-player cases. $\alpha^\alpha$-Rank allows us, for the first time, to practically conduct large-scale multi-agent evaluations. Thirdly, I introduce a scalable policy learning algorithm -- mean-field MARL -- in many-agent systems. The mean-field MARL method takes advantage of the mean-field approximation from physics, and it is the first provably convergent algorithm that tries to break the curse of dimensionality for MARL tasks. With the proposed algorithm, I report the first result of solving the Ising model and multi-agent battle games through a MARL approach. Fourthly, I investigate the many-agent learning problem in open-ended meta-games (i.e., the game of a game in the policy space). Specifically, I focus on modelling the behavioural diversity in meta-games, and developing algorithms that guarantee to enlarge diversity during training. The proposed metric based on determinantal point processes serves as the first mathematically rigorous definition for diversity. Importantly, the diversity-aware learning algorithms beat the existing state-of-the-art game solvers in terms of exploitability by a large margin. On top of the algorithmic developments, I also contribute two real-world applications of MARL techniques. Specifically, I demonstrate the great potential of applying MARL to study the emergent population dynamics in nature, and model diverse and realistic interactions in autonomous driving. Both applications embody the prospect that MARL techniques could achieve huge impacts in the real physical world, outside of purely video games