Stein variational gradient descent (SVGD) refers to a class of methods for Bayesian inference based on interacting particle systems. In this paper, we consider the originally proposed deterministic dynamics as well as a stochastic variant, each of which represent one of the two main paradigms in Bayesian computational statistics: variational inference and Markov chain Monte Carlo. As it turns out, these are tightly linked through a correspondence between gradient flow structures and large-deviation principles rooted in statistical physics. To expose this relationship, we develop the cotangent space construction for the Stein geometry, prove its basic properties, and determine the large-deviation functional governing the many-particle limit for the empirical measure. Moreover, we identify the Stein-Fisher information (or kernelised Stein discrepancy) as its leading order contribution in the long-time and many-particle regime in the sense of $\Gamma$-convergence, shedding some light on the finite-particle properties of SVGD. Finally, we establish a comparison principle between the Stein-Fisher information and RKHS-norms that might be of independent interest.

In this paper, we investigate the constraint typology of mixed-integer linear programming MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning, resource allocation, timetabling optimization problems, providing optimized business solutions for industry sectors such as: manufacturing, agriculture, defence, healthcare, medicine, energy, finance, and transportation. Despite the numerous real-life Combinatorial Optimization Problems found and solved, and millions yet to be discovered and formulated, the number of types of constraints, the building blocks of a MILP, is relatively much smaller. In the search of a suitable machine readable knowledge representation for MILPs, we propose an optimization modelling tree built based upon an MILP ontology that can be used as a guidance for automated systems to elicit an MILP model from end-users on their combinatorial business optimization problems.

In offline reinforcement learning (RL) an optimal policy is learnt solely from a priori collected observational data. However, in observational data, actions are often confounded by unobserved variables. Instrumental variables (IVs), in the context of RL, are the variables whose influence on the state variables are all mediated through the action. When a valid instrument is present, we can recover the confounded transition dynamics through observational data. We study a confounded Markov decision process where the transition dynamics admit an additive nonlinear functional form. Using IVs, we derive a conditional moment restriction (CMR) through which we can identify transition dynamics based on observational data. We propose a provably efficient IV-aided Value Iteration (IVVI) algorithm based on a primal-dual reformulation of CMR. To the best of our knowledge, this is the first provably efficient algorithm for instrument-aided offline RL.

This paper studies fixed step-size stochastic approximation (SA) schemes, including stochastic gradient schemes, in a Riemannian framework. It is motivated by several applications, where geodesics can be computed explicitly, and their use accelerates crude Euclidean methods. A fixed step-size scheme defines a family of time-homogeneous Markov chains, parametrized by the step-size. Here, using this formulation, non-asymptotic performance bounds are derived, under Lyapunov conditions. Then, for any step-size, the corresponding Markov chain is proved to admit a unique stationary distribution, and to be geometrically ergodic. This result gives rise to a family of stationary distributions indexed by the step-size, which is further shown to converge to a Dirac measure, concentrated at the solution of the problem at hand, as the step-size goes to 0. Finally, the asymptotic rate of this convergence is established, through an asymptotic expansion of the bias, and a central limit theorem.

In this paper, a mixed-integer linear programming formulation for the problem of obtaining task-relevant, multi-resolution, graph abstractions for resource-constrained agents is presented. The formulation leverages concepts from information-theoretic signal compression, specifically the information bottleneck (IB) method, to pose a graph abstraction problem as an optimal encoder search over the space of multi-resolution trees. The abstractions emerge in a task-relevant manner as a function of agent information-processing constraints, and are not provided to the system a priori. We detail our formulation and show how the problem can be realized as an integer linear program. A non-trivial numerical example is presented to demonstrate the utility in employing our approach to obtain hierarchical tree abstractions for resource-limited agents.

We devise a theoretical framework and a numerical method to infer trajectories of a stochastic process from snapshots of its temporal marginals. This problem arises in the analysis of single cell RNA-sequencing data, which provide high dimensional measurements of cell states but cannot track the trajectories of the cells over time. We prove that for a class of stochastic processes it is possible to recover the ground truth trajectories from limited samples of the temporal marginals at each time-point, and provide an efficient algorithm to do so in practice. The method we develop, Global Waddington-OT (gWOT), boils down to a smooth convex optimization problem posed globally over all time-points involving entropy-regularized optimal transport. We demonstrate that this problem can be solved efficiently in practice and yields good reconstructions, as we show on several synthetic and real datasets.

Fairness has emerged as an important concern in automated decision-making in recent years, especially when these decisions affect human welfare. In this work, we study fairness in temporally extended decision-making settings, specifically those formulated as Markov Decision Processes (MDPs). Our proposed notion of fairness ensures that each state's long-term visitation frequency is more than a specified fraction. In an average-reward MDP (AMDP) setting, we formulate the problem as a bilinear saddle point program and, for a generative model, solve it using a Stochastic Mirror Descent (SMD) based algorithm. The proposed solution guarantees a simultaneous approximation on the expected average-reward and the long-term state-visitation frequency. We validate our theoretical results with experiments on synthetic data.

We propose a novel approach to analyze generalization error for discretizations of Langevin diffusion, such as the stochastic gradient Langevin dynamics (SGLD). For an $\epsilon$ tolerance of expected generalization error, it is known that a first order discretization can reach this target if we run $\Omega(\epsilon^{-1} \log (\epsilon^{-1}) )$ iterations with $\Omega(\epsilon^{-1})$ samples. In this article, we show that with additional smoothness assumptions, even first order methods can achieve arbitrarily runtime complexity. More precisely, for each $N>0$, we provide a sufficient smoothness condition on the loss function such that a first order discretization can reach $\epsilon$ expected generalization error given $\Omega( \epsilon^{-1/N} \log (\epsilon^{-1}) )$ iterations with $\Omega(\epsilon^{-1})$ samples.

This graduate textbook on machine learning tells a story of how patterns in data support predictions and consequential actions. Starting with the foundations of decision making, we cover representation, optimization, and generalization as the constituents of supervised learning. A chapter on datasets as benchmarks examines their histories and scientific bases. Self-contained introductions to causality, the practice of causal inference, sequential decision making, and reinforcement learning equip the reader with concepts and tools to reason about actions and their consequences. Throughout, the text discusses historical context and societal impact. We invite readers from all backgrounds; some experience with probability, calculus, and linear algebra suffices.

Social network analysis is the process of investigating social structures through the use of networks and graph theory. It combines a variety of techniques for analyzing the structure of social networks as well as theories that aim at explaining the underlying dynamics and patterns observed in these structures. It is an inherently interdisciplinary field which originally emerged from the fields of social psychology, statistics and graph theory. This talk will covers the theory of social network analysis, with a short introduction to graph theory and information spread. Then we will deep dive into Python code with NetworkX to get a better understanding of the network components, followed-up by constructing and implying social networks from real Pandas and textual datasets. Finally we will go over code examples of practical use-cases such as visualization with matplotlib, social-centrality analysis and influence maximization for information spread.