Gaussian process regression is a widely-applied method for function approximation and uncertainty quantification. The technique has gained popularity recently in the machine learning community due to its robustness and interpretability. The mathematical methods we discuss in this paper are an extension of the Gaussian-process framework. We are proposing advanced kernel designs that only allow for functions with certain desirable characteristics to be elements of the reproducing kernel Hilbert space (RKHS) that underlies all kernel methods and serves as the sample space for Gaussian process regression. These desirable characteristics reflect the underlying physics; two obvious examples are symmetry and periodicity constraints. In addition, non-stationary kernel designs can be defined in the same framework to yield flexible multi-task Gaussian processes. We will show the impact of advanced kernel designs on Gaussian processes using several synthetic and two scientific data sets. The results show that including domain knowledge, communicated through advanced kernel designs, has a significant impact on the accuracy and relevance of the function approximation.
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Continuous-time (CT) models have shown an improved sample efficiency during learning and enable ODE analysis methods for enhanced interpretability compared to discrete-time (DT) models. Even with numerous recent developments, the multifaceted CT state-space model identification problem remains to be solved in full, considering common experimental aspects such as the presence of external inputs, measurement noise, and latent states. This paper presents a novel estimation method that includes these aspects and that is able to obtain state-of-the-art results on multiple benchmarks where a small fully connected neural network describes the CT dynamics. The novel estimation method called the subspace encoder approach ascertains these results by altering the well-known simulation loss to include short subsections instead, by using an encoder function and a state-derivative normalization term to obtain a computationally feasible and stable optimization problem. This encoder function estimates the initial states of each considered subsection. We prove that the existence of the encoder function has the necessary condition of a Lipschitz continuous state-derivative utilizing established properties of ODEs.
We introduce a new distortion measure for point processes called functional-covering distortion. It is inspired by intensity theory and is related to both the covering of point processes and logarithmic loss distortion. We obtain the distortion-rate function with feedforward under this distortion measure for a large class of point processes. For Poisson processes, the rate-distortion function is obtained under a general condition called constrained functional-covering distortion, of which both covering and functional-covering are special cases. Also for Poisson processes, we characterize the rate-distortion region for a two-encoder CEO problem and show that feedforward does not enlarge this region.
We provide a decision theoretic analysis of bandit experiments. The setting corresponds to a dynamic programming problem, but solving this directly is typically infeasible. Working within the framework of diffusion asymptotics, we define suitable notions of asymptotic Bayes and minimax risk for bandit experiments. For normally distributed rewards, the minimal Bayes risk can be characterized as the solution to a nonlinear second-order partial differential equation (PDE). Using a limit of experiments approach, we show that this PDE characterization also holds asymptotically under both parametric and non-parametric distribution of the rewards. The approach further describes the state variables it is asymptotically sufficient to restrict attention to, and therefore suggests a practical strategy for dimension reduction. The upshot is that we can approximate the dynamic programming problem defining the bandit experiment with a PDE which can be efficiently solved using sparse matrix routines. We derive the optimal Bayes and minimax policies from the numerical solutions to these equations. The proposed policies substantially dominate existing methods such as Thompson sampling. The framework also allows for substantial generalizations to the bandit problem such as time discounting and pure exploration motives.
Gaussian process regression is increasingly applied for learning unknown dynamical systems. In particular, the implicit quantification of the uncertainty of the learned model makes it a promising approach for safety-critical applications. When using Gaussian process regression to learn unknown systems, a commonly considered approach consists of learning the residual dynamics after applying some generic discretization technique, which might however disregard properties of the underlying physical system. Variational integrators are a less common yet promising approach to discretization, as they retain physical properties of the underlying system, such as energy conservation and satisfaction of explicit kinematic constraints. In this work, we present a novel structure-preserving learning-based modelling approach that combines a variational integrator for the nominal dynamics of a mechanical system and learning residual dynamics with Gaussian process regression. We extend our approach to systems with known kinematic constraints and provide formal bounds on the prediction uncertainty. The simulative evaluation of the proposed method shows desirable energy conservation properties in accordance with general theoretical results and demonstrates exact constraint satisfaction for constrained dynamical systems.
We propose a novel concise function representation for graphical models, a central theoretical framework that provides the basis for many reasoning tasks. We then show how we exploit our concise representation based on deterministic finite state automata within Bucket Elimination (BE), a general approach based on the concept of variable elimination that can be used to solve many inference and optimisation tasks, such as most probable explanation and constrained optimisation. We denote our version of BE as FABE. By using our concise representation within FABE, we dramatically improve the performance of BE in terms of runtime and memory requirements. Results achieved by comparing FABE with state of the art approaches for most probable explanation (i.e., recursive best-first and structured message passing) and constrained optimisation (i.e., CPLEX, GUROBI, and toulbar2) following an established methodology confirm the efficacy of our concise function representation, showing runtime improvements of up to 5 orders of magnitude in our tests.
A High-dimensional and sparse (HiDS) matrix is frequently encountered in a big data-related application like an e-commerce system or a social network services system. To perform highly accurate representation learning on it is of great significance owing to the great desire of extracting latent knowledge and patterns from it. Latent factor analysis (LFA), which represents an HiDS matrix by learning the low-rank embeddings based on its observed entries only, is one of the most effective and efficient approaches to this issue. However, most existing LFA-based models perform such embeddings on a HiDS matrix directly without exploiting its hidden graph structures, thereby resulting in accuracy loss. To address this issue, this paper proposes a graph-incorporated latent factor analysis (GLFA) model. It adopts two-fold ideas: 1) a graph is constructed for identifying the hidden high-order interaction (HOI) among nodes described by an HiDS matrix, and 2) a recurrent LFA structure is carefully designed with the incorporation of HOI, thereby improving the representa-tion learning ability of a resultant model. Experimental results on three real-world datasets demonstrate that GLFA outperforms six state-of-the-art models in predicting the missing data of an HiDS matrix, which evidently supports its strong representation learning ability to HiDS data.
One of the most important problems in system identification and statistics is how to estimate the unknown parameters of a given model. Optimization methods and specialized procedures, such as Empirical Minimization (EM) can be used in case the likelihood function can be computed. For situations where one can only simulate from a parametric model, but the likelihood is difficult or impossible to evaluate, a technique known as the Two-Stage (TS) Approach can be applied to obtain reliable parametric estimates. Unfortunately, there is currently a lack of theoretical justification for TS. In this paper, we propose a statistical decision-theoretical derivation of TS, which leads to Bayesian and Minimax estimators. We also show how to apply the TS approach on models for independent and identically distributed samples, by computing quantiles of the data as a first step, and using a linear function as the second stage. The proposed method is illustrated via numerical simulations.
Generalization to out-of-distribution (OOD) data is a capability natural to humans yet challenging for machines to reproduce. This is because most learning algorithms strongly rely on the i.i.d.~assumption on source/target data, which is often violated in practice due to domain shift. Domain generalization (DG) aims to achieve OOD generalization by using only source data for model learning. Since first introduced in 2011, research in DG has made great progresses. In particular, intensive research in this topic has led to a broad spectrum of methodologies, e.g., those based on domain alignment, meta-learning, data augmentation, or ensemble learning, just to name a few; and has covered various vision applications such as object recognition, segmentation, action recognition, and person re-identification. In this paper, for the first time a comprehensive literature review is provided to summarize the developments in DG for computer vision over the past decade. Specifically, we first cover the background by formally defining DG and relating it to other research fields like domain adaptation and transfer learning. Second, we conduct a thorough review into existing methods and present a categorization based on their methodologies and motivations. Finally, we conclude this survey with insights and discussions on future research directions.
Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. For years, great progress has been achieved. This paper presents the first review for recent advances in domain generalization. First, we provide a formal definition of domain generalization and discuss several related fields. Next, we thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. Then, we categorize recent algorithms into three classes and present them in detail: data manipulation, representation learning, and learning strategy, each of which contains several popular algorithms. Third, we introduce the commonly used datasets and applications. Finally, we summarize existing literature and present some potential research topics for the future.
The focus of Part I of this monograph has been on both the fundamental properties, graph topologies, and spectral representations of graphs. Part II embarks on these concepts to address the algorithmic and practical issues centered round data/signal processing on graphs, that is, the focus is on the analysis and estimation of both deterministic and random data on graphs. The fundamental ideas related to graph signals are introduced through a simple and intuitive, yet illustrative and general enough case study of multisensor temperature field estimation. The concept of systems on graph is defined using graph signal shift operators, which generalize the corresponding principles from traditional learning systems. At the core of the spectral domain representation of graph signals and systems is the Graph Discrete Fourier Transform (GDFT). The spectral domain representations are then used as the basis to introduce graph signal filtering concepts and address their design, including Chebyshev polynomial approximation series. Ideas related to the sampling of graph signals are presented and further linked with compressive sensing. Localized graph signal analysis in the joint vertex-spectral domain is referred to as the vertex-frequency analysis, since it can be considered as an extension of classical time-frequency analysis to the graph domain of a signal. Important topics related to the local graph Fourier transform (LGFT) are covered, together with its various forms including the graph spectral and vertex domain windows and the inversion conditions and relations. A link between the LGFT with spectral varying window and the spectral graph wavelet transform (SGWT) is also established. Realizations of the LGFT and SGWT using polynomial (Chebyshev) approximations of the spectral functions are further considered. Finally, energy versions of the vertex-frequency representations are introduced.
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