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Population diversity is crucial in evolutionary algorithms as it helps with global exploration and facilitates the use of crossover. Despite many runtime analyses showing advantages of population diversity, we have no clear picture of how diversity evolves over time. We study how population diversity of $(\mu+1)$ algorithms, measured by the sum of pairwise Hamming distances, evolves in a fitness-neutral environment. We give an exact formula for the drift of population diversity and show that it is driven towards an equilibrium state. Moreover, we bound the expected time for getting close to the equilibrium state. We find that these dynamics, including the location of the equilibrium, are unaffected by surprisingly many algorithmic choices. All unbiased mutation operators with the same expected number of bit flips have the same effect on the expected diversity. Many crossover operators have no effect at all, including all binary unbiased, respectful operators. We review crossover operators from the literature and identify crossovers that are neutral towards the evolution of diversity and crossovers that are not.

This paper considers the problem of learning safe policies in the context of reinforcement learning (RL). In particular, we consider the notion of probabilistic safety. This is, we aim to design policies that maintain the state of the system in a safe set with high probability. This notion differs from cumulative constraints often considered in the literature. The challenge of working with probabilistic safety is the lack of expressions for their gradients. Indeed, policy optimization algorithms rely on gradients of the objective function and the constraints. To the best of our knowledge, this work is the first one providing such explicit gradient expressions for probabilistic constraints. It is worth noting that the gradient of this family of constraints can be applied to various policy-based algorithms. We demonstrate empirically that it is possible to handle probabilistic constraints in a continuous navigation problem.

We give a simple proof of the well-known result that the marginal strategies of a coarse correlated equilibrium form a Nash equilibrium in two-player zero-sum games. A corollary of this fact is that no-external-regret learning algorithms that converge to the set of coarse correlated equilibria will also converge to Nash equilibria in two-player zero-sum games. We show an approximate version: that $\epsilon$-coarse correlated equilibria imply $2\epsilon$-Nash equilibria.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

We introduce DeepNash, an autonomous agent capable of learning to play the imperfect information game Stratego from scratch, up to a human expert level. Stratego is one of the few iconic board games that Artificial Intelligence (AI) has not yet mastered. This popular game has an enormous game tree on the order of $10^{535}$ nodes, i.e., $10^{175}$ times larger than that of Go. It has the additional complexity of requiring decision-making under imperfect information, similar to Texas hold'em poker, which has a significantly smaller game tree (on the order of $10^{164}$ nodes). Decisions in Stratego are made over a large number of discrete actions with no obvious link between action and outcome. Episodes are long, with often hundreds of moves before a player wins, and situations in Stratego can not easily be broken down into manageably-sized sub-problems as in poker. For these reasons, Stratego has been a grand challenge for the field of AI for decades, and existing AI methods barely reach an amateur level of play. DeepNash uses a game-theoretic, model-free deep reinforcement learning method, without search, that learns to master Stratego via self-play. The Regularised Nash Dynamics (R-NaD) algorithm, a key component of DeepNash, converges to an approximate Nash equilibrium, instead of 'cycling' around it, by directly modifying the underlying multi-agent learning dynamics. DeepNash beats existing state-of-the-art AI methods in Stratego and achieved a yearly (2022) and all-time top-3 rank on the Gravon games platform, competing with human expert players.

When learning tasks over time, artificial neural networks suffer from a problem known as Catastrophic Forgetting (CF). This happens when the weights of a network are overwritten during the training of a new task causing forgetting of old information. To address this issue, we propose MetA Reusable Knowledge or MARK, a new method that fosters weight reusability instead of overwriting when learning a new task. Specifically, MARK keeps a set of shared weights among tasks. We envision these shared weights as a common Knowledge Base (KB) that is not only used to learn new tasks, but also enriched with new knowledge as the model learns new tasks. Key components behind MARK are two-fold. On the one hand, a metalearning approach provides the key mechanism to incrementally enrich the KB with new knowledge and to foster weight reusability among tasks. On the other hand, a set of trainable masks provides the key mechanism to selectively choose from the KB relevant weights to solve each task. By using MARK, we achieve state of the art results in several popular benchmarks, surpassing the best performing methods in terms of average accuracy by over 10% on the 20-Split-MiniImageNet dataset, while achieving almost zero forgetfulness using 55% of the number of parameters. Furthermore, an ablation study provides evidence that, indeed, MARK is learning reusable knowledge that is selectively used by each task.

Promoting behavioural diversity is critical for solving games with non-transitive dynamics where strategic cycles exist, and there is no consistent winner (e.g., Rock-Paper-Scissors). Yet, there is a lack of rigorous treatment for defining diversity and constructing diversity-aware learning dynamics. In this work, we offer a geometric interpretation of behavioural diversity in games and introduce a novel diversity metric based on \emph{determinantal point processes} (DPP). By incorporating the diversity metric into best-response dynamics, we develop \emph{diverse fictitious play} and \emph{diverse policy-space response oracle} for solving normal-form games and open-ended games. We prove the uniqueness of the diverse best response and the convergence of our algorithms on two-player games. Importantly, we show that maximising the DPP-based diversity metric guarantees to enlarge the \emph{gamescape} -- convex polytopes spanned by agents' mixtures of strategies. To validate our diversity-aware solvers, we test on tens of games that show strong non-transitivity. Results suggest that our methods achieve much lower exploitability than state-of-the-art solvers by finding effective and diverse strategies.

Multi-agent influence diagrams (MAIDs) are a popular form of graphical model that, for certain classes of games, have been shown to offer key complexity and explainability advantages over traditional extensive form game (EFG) representations. In this paper, we extend previous work on MAIDs by introducing the concept of a MAID subgame, as well as subgame perfect and trembling hand perfect equilibrium refinements. We then prove several equivalence results between MAIDs and EFGs. Finally, we describe an open source implementation for reasoning about MAIDs and computing their equilibria.

Exploration-exploitation is a powerful and practical tool in multi-agent learning (MAL), however, its effects are far from understood. To make progress in this direction, we study a smooth analogue of Q-learning. We start by showing that our learning model has strong theoretical justification as an optimal model for studying exploration-exploitation. Specifically, we prove that smooth Q-learning has bounded regret in arbitrary games for a cost model that explicitly captures the balance between game and exploration costs and that it always converges to the set of quantal-response equilibria (QRE), the standard solution concept for games under bounded rationality, in weighted potential games with heterogeneous learning agents. In our main task, we then turn to measure the effect of exploration in collective system performance. We characterize the geometry of the QRE surface in low-dimensional MAL systems and link our findings with catastrophe (bifurcation) theory. In particular, as the exploration hyperparameter evolves over-time, the system undergoes phase transitions where the number and stability of equilibria can change radically given an infinitesimal change to the exploration parameter. Based on this, we provide a formal theoretical treatment of how tuning the exploration parameter can provably lead to equilibrium selection with both positive as well as negative (and potentially unbounded) effects to system performance.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.