Offline reinforcement learning (RL) aims at learning an optimal strategy using a pre-collected dataset without further interactions with the environment. While various algorithms have been proposed for offline RL in the previous literature, the minimax optimality has only been (nearly) established for tabular Markov decision processes (MDPs). In this paper, we focus on offline RL with linear function approximation and propose a new pessimism-based algorithm for offline linear MDP. At the core of our algorithm is the uncertainty decomposition via a reference function, which is new in the literature of offline RL under linear function approximation. Theoretical analysis demonstrates that our algorithm can match the performance lower bound up to logarithmic factors. We also extend our techniques to the two-player zero-sum Markov games (MGs), and establish a new performance lower bound for MGs, which tightens the existing result, and verifies the nearly minimax optimality of the proposed algorithm. To the best of our knowledge, these are the first computationally efficient and nearly minimax optimal algorithms for offline single-agent MDPs and MGs with linear function approximation.

We propose an approach based on function evaluations and Bayesian inference to extract higher-order differential information of objective functions {from a given ensemble of particles}. Pointwise evaluation $\{V(x^i)\}_i$ of some potential $V$ in an ensemble $\{x^i\}_i$ contains implicit information about first or higher order derivatives, which can be made explicit with little computational effort (ensemble-based gradient inference -- EGI). We suggest to use this information for the improvement of established ensemble-based numerical methods for optimization and sampling such as Consensus-based optimization and Langevin-based samplers. Numerical studies indicate that the augmented algorithms are often superior to their gradient-free variants, in particular the augmented methods help the ensembles to escape their initial domain, to explore multimodal, non-Gaussian settings and to speed up the collapse at the end of optimization dynamics.} The code for the numerical examples in this manuscript can be found in the paper's Github repository (https://github.com/MercuryBench/ensemble-based-gradient.git).

Ensemble sampling serves as a practical approximation to Thompson sampling when maintaining an exact posterior distribution over model parameters is computationally intractable. In this paper, we establish a regret bound that ensures desirable behavior when ensemble sampling is applied to the linear bandit problem. This represents the first rigorous regret analysis of ensemble sampling and is made possible by leveraging information-theoretic concepts and novel analytic techniques that may prove useful beyond the scope of this paper.

When estimating unknown parameters in a dynamic model the optimum solution to the parameter estimation problem may not remain constant. Specifically, the optimal values of the model parameters may change through time because of the evolution of the underlying process: finding them is, in general, not straightforward. A survey of basic techniques for tracking the time-varying dynamics of a system is provided in [Ljung and Gunnarsson, 1990] where recursive algorithms in non-stationary stochastic optimization are analysed under different assumptions about the true system's variations, see also [Simonetto et al., 2020] for a review in a purely deterministic setting. In [Delyon and Juditsky, 1995] the problem of tracking the random drifting parameters of a linear regression system is tackled, and [Zhu and Spall, 2016] builds a computable tracking error bound for how a stochastic approximation with constant gain keeps up with a non-stationary target. Successively, [Wilson et al., 2019] introduces a framework for sequentially solving convex stochastic minimization problems, where the distance between successive minimizers is bounded. The minimization problems are then solved by sequentially applying an optimization algorithm, such as stochastic gradient descent (SGD). In a similar setting, [Cao et al., 2019] establishes an upper bound on the regret of a projected SGD algorithm with respect to the drift of the dynamic optima, while [Cutler et al., 2021] provides novel non-asymptotic convergence guarantees for stochastic algorithms with iterate averaging.

Nash Q-learning may be considered one of the first and most known algorithms in multi-agent reinforcement learning (MARL) for learning policies that constitute a Nash equilibrium of an underlying general-sum Markov game. Its original proof provided asymptotic guarantees and was for the tabular case. Recently, finite-sample guarantees have been provided using more modern RL techniques for the tabular case. Our work analyzes Nash Q-learning using linear function approximation -- a representation regime introduced when the state space is large or continuous -- and provides finite-sample guarantees that indicate its sample efficiency. We find that the obtained performance nearly matches an existing efficient result for single-agent RL under the same representation and has a polynomial gap when compared to the best-known result for the tabular case.

Machine Learning (ML) has widely been used for modeling and predicting physical systems. These techniques offer high expressive power and good generalizability for interpolation within observed data sets. However, the disadvantage of black - box m odels is that they underperform under blind conditions since no physical knowledge is incorporated. Physics - based ML aims to address this problem by retaining the mathematical flexibility of ML techniques while incorporating physics. In accord, this paper proposes to embed mechanics - based models into the mean function of a Gaussian Process (GP) model and characterize potential discrepancies through kernel machines. A specific class of kernel function is promoted, which has a connection with the gradient of the physics - based model with respect to the input and parameters and shares similarity with the exact Auto - covariance function of linear dynamical systems. The spectral properties of the kernel function enable considering dominant periodic processes origin ating from physics misspecification. Nevertheless, the stationarity of the kernel function is a difficult hurdle in the sequential processing of long data sets, resolved through hierarchical Bayesian techniques. This implementation is also advantageous to mitigate computational costs, alleviating the scalability of GPs when dealing with sequential data. Using numerical and experimental examples, potential applications of the proposed method to structural dynamics inverse problems are demonstrated. Postdoctoral Fellow, Department of Civil and Environmental Engineering, The Hong Kong University of Science and Technology, Hong Kong, Email: osedehi@connect.ust.hk Ph.D. Student, Department of Civil and Environmental Engineering, The Hong Kong Universi ty of Science and Technology, Hong Kong, Email: akosikova@connect.ust.hk

Clustering is a well-known unsupervised machine learning approach capable of automatically grouping discrete sets of instances with similar characteristics. Constrained clustering is a semi-supervised extension to this process that can be used when expert knowledge is available to indicate constraints that can be exploited. Well-known examples of such constraints are must-link (indicating that two instances belong to the same group) and cannot-link (two instances definitely do not belong together). The research area of constrained clustering has grown significantly over the years with a large variety of new algorithms and more advanced types of constraints being proposed. However, no unifying overview is available to easily understand the wide variety of available methods, constraints and benchmarks. To remedy this, this study presents in-detail the background of constrained clustering and provides a novel ranked taxonomy of the types of constraints that can be used in constrained clustering. In addition, it focuses on the instance-level pairwise constraints, and gives an overview of its applications and its historical context. Finally, it presents a statistical analysis covering 307 constrained clustering methods, categorizes them according to their features, and provides a ranking score indicating which methods have the most potential based on their popularity and validation quality. Finally, based upon this analysis, potential pitfalls and future research directions are provided.

Diffusion probabilistic models have quickly become a major approach for generative modeling of images, 3D geometry, video and other domains. However, to adapt diffusion generative modeling to these domains the denoising network needs to be carefully designed for each domain independently, oftentimes under the assumption that data lives in a Euclidean grid. In this paper we introduce Diffusion Probabilistic Fields (DPF), a diffusion model that can learn distributions over continuous functions defined over metric spaces, commonly known as fields. We extend the formulation of diffusion probabilistic models to deal with this field parametrization in an explicit way, enabling us to define an end-to-end learning algorithm that side-steps the requirement of representing fields with latent vectors as in previous approaches (Dupont et al., 2022a; Du et al., 2021). We empirically show that, while using the same denoising network, DPF effectively deals with different modalities like 2D images and 3D geometry, in addition to modeling distributions over fields defined on non-Euclidean metric spaces.

The unit selection problem aims to identify objects, called units, that are most likely to exhibit a desired mode of behavior when subjected to stimuli (e.g., customers who are about to churn but would change their mind if encouraged). Unit selection with counterfactual objective functions was introduced relatively recently with existing work focusing on bounding a specific class of objective functions, called the benefit functions, based on observational and interventional data -- assuming a fully specified model is not available to evaluate these functions. We complement this line of work by proposing the first exact algorithm for finding optimal units given a broad class of causal objective functions and a fully specified structural causal model (SCM). We show that unit selection under this class of objective functions is $\text{NP}^\text{PP}$-complete but is $\text{NP}$-complete when unit variables correspond to all exogenous variables in the SCM. We also provide treewidth-based complexity bounds on our proposed algorithm while relating it to a well-known algorithm for Maximum a Posteriori (MAP) inference.

Sparse graph recovery methods work well where the data follows their assumptions but often they are not designed for doing downstream probabilistic queries. This limits their adoption to only identifying connections among the input variables. On the other hand, the Probabilistic Graphical Models (PGMs) assume an underlying base graph between variables and learns a distribution over them. PGM design choices are carefully made such that the inference \& sampling algorithms are efficient. This brings in certain restrictions and often simplifying assumptions. In this work, we propose Neural Graph Revealers (NGRs), that are an attempt to efficiently merge the sparse graph recovery methods with PGMs into a single flow. The problem setting consists of an input data X with D features and M samples and the task is to recover a sparse graph showing connection between the features and learn a probability distribution over the D at the same time. NGRs view the neural networks as a `glass box' or more specifically as a multitask learning framework. We introduce `Graph-constrained path norm' that NGRs leverage to learn a graphical model that captures complex non-linear functional dependencies between the features in the form of an undirected sparse graph. Furthermore, NGRs can handle multimodal inputs like images, text, categorical data, embeddings etc. which is not straightforward to incorporate in the existing methods. We show experimental results of doing sparse graph recovery and probabilistic inference on data from Gaussian graphical models and a multimodal infant mortality dataset by Centers for Disease Control and Prevention.