Imperial College London（帝国理工学院）；St. Petersburg State University（圣彼得堡国立大学）；St. Petersburg Department of Steklov Mathematical Institute of Russian Academy of Sciences（俄罗斯科学院斯捷克洛夫数学研究所圣彼得堡分所）；University College London（伦敦大学学院）
James T. Wilson, Viacheslav Borovitskiy, Alexander Terenin, Peter Mostowsky, Marc Peter Deisenroth
发表信息：
Journal of Machine Learning Research, 22(105):1-47, 2021
As Gaussian processes are used to answer increasingly complex questions, analytic solutions become scarcer and scarcer. Monte Carlo methods act as a convenient bridge for connecting intractable mathematical expressions with actionable estimates via sampling. Conventional approaches for simulating Gaussian process posteriors view samples as draws from marginal distributions of process values at finite sets of input locations. This distribution-centric characterization leads to generative strategies that scale cubically in the size of the desired random vector. These methods are prohibitively expensive in cases where we would, ideally, like to draw high-dimensional vectors or even continuous sample paths. In this work, we investigate a different line of reasoning: rather than focusing on distributions, we articulate Gaussian conditionals at the level of random variables. We show how this pathwise interpretation of conditioning gives rise to a general family of approximations that lend themselves to efficiently sampling Gaussian process posteriors. Starting from first principles, we derive these methods and analyze the approximation errors they introduce. We, then, ground these results by exploring the practical implications of pathwise conditioning in various applied settings, such as global optimization and reinforcement learning.
We study pathwise invariances of centred random fields that can be controlled through the covariance. A result involving composition operators is obtained in second-order settings, and we show that various path properties including additivity boil down to invariances of the covariance kernel. These results are extended to a broader class of operators in the Gaussian case, via the Loève isometry. Several covariance-driven pathwise invariances are illustrated, including fields with symmetric paths, centred paths, harmonic paths, or sparse paths. The proposed approach delivers a number of promisi…
We observe that gradients computed via the reparameterization trick are in direct correspondence with solutions of the transport equation in the formalism of optimal transport. We use this perspective to compute (approximate) pathwise gradients for probability distributions not directly amenable to the reparameterization trick: Gamma, Beta, and Dirichlet. We further observe that when the reparameterization trick is applied to the Cholesky-factorized multivariate Normal distribution, the resulting gradients are suboptimal in the sense of optimal transport. We derive the optimal gradients and sh…
With a principled representation of uncertainty and closed form posterior updates, Gaussian processes (GPs) are a natural choice for online decision making. However, Gaussian processes typically require at least $\mathcal{O}(n^2)$ computations for $n$ training points, limiting their general applicability. Stochastic variational Gaussian processes (SVGPs) can provide scalable inference for a dataset of fixed size, but are difficult to efficiently condition on new data. We propose online variational conditioning (OVC), a procedure for efficiently conditioning SVGPs in an online setting that does…
Diffusion Model Conditioning on Gaussian Mixture Model and Negative Gaussian Mixture Gradient
University of Macau（澳门大学）；Great Bay University（大湾区大学）；Great Bay Institute for Advanced Study（大湾区高等研究院）；University of Science and Technology of China（中国科学技术大学）
We propose a new type of variational autoencoder to perform improved pre-processing for clustering and anomaly detection on data with a given label. Anomalies however are not known or labeled. We call our method conditional latent space variational autonencoder since it separates the latent space by conditioning on information within the data. The method fits one prior distribution to each class in the dataset, effectively expanding the prior distribution to include a Gaussian mixture model. Our approach is compared against the capabilities of a typical variational autoencoder by measuring the…
Copulas allow to learn marginal distributions separately from the multivariate dependence structure (copula) that links them together into a density function. Vine factorizations ease the learning of high-dimensional copulas by constructing a hierarchy of conditional bivariate copulas. However, to simplify inference, it is common to assume that each of these conditional bivariate copulas is independent from its conditioning variables. In this paper, we relax this assumption by discovering the latent functions that specify the shape of a conditional copula given its conditioning variables We le…
Machine learning models can be improved by adapting them to respect existing background knowledge. In this paper we consider multitask Gaussian processes, with background knowledge in the form of constraints that require a specific sum of the outputs to be constant. This is achieved by conditioning the prior distribution on the constraint fulfillment. The approach allows for both linear and nonlinear constraints. We demonstrate that the constraints are fulfilled with high precision and that the construction can improve the overall prediction accuracy as compared to the standard Gaussian proces…
Bayesian learning using Gaussian processes provides a foundational framework for making decisions in a manner that balances what is known with what could be learned by gathering data. In this dissertation, we develop techniques for broadening the applicability of Gaussian processes. This is done in two ways. Firstly, we develop pathwise conditioning techniques for Gaussian processes, which allow one to express posterior random functions as prior random functions plus a dependent update term. We introduce a wide class of efficient approximations built from this viewpoint, which can be randomly …
One Operator for Many Densities: Amortized Approximation of Conditioning by Neural Operators
Operations Research Center（运筹学研究中心）；Massachusetts Institute of Technology（麻省理工学院）；Department of Computing and Mathematical Sciences（计算与数学科学系）；California Institute of Technology（加州理工学院）；Laboratory for Information and Decision Systems（信息与决策系统实验室）；Center for Computational Science and Engineering（计算科学与工程中心）；Department of Mathematics（数学系）；Cornell University（康奈尔大学）；Oden Institute for Computational Engineering and Sciences（计算工程与科学学院）
Conditional image generation has paved the way for several breakthroughs in image editing, generating stock photos and 3-D object generation. This continues to be a significant area of interest with the rise of new state-of-the-art methods that are based on diffusion models. However, diffusion models provide very little control over the generated image, which led to subsequent works exploring techniques like classifier guidance, that provides a way to trade off diversity with fidelity. In this work, we explore techniques to condition diffusion models with carefully crafted input noise artifact…
Gaussian processes are used in machine learning to learn input-output mappings from observed data. Gaussian process regression is based on imposing a Gaussian process prior on the unknown regressor function and statistically conditioning it on the observed data. In system identification, Gaussian processes are used to form time series prediction models such as non-linear finite-impulse response (NFIR) models as well as non-linear autoregressive (NARX) models. Gaussian process state-space models (GPSS) can be used to learn the dynamic and measurement models for a state-space representation of t…
Standard GPs offer a flexible modelling tool for well-behaved processes. However, deviations from Gaussianity are expected to appear in real world datasets, with structural outliers and shocks routinely observed. In these cases GPs can fail to model uncertainty adequately and may over-smooth inferences. Here we extend the GP framework into a new class of time-changed GPs that allow for straightforward modelling of heavy-tailed non-Gaussian behaviours, while retaining a tractable conditional GP structure through an infinite mixture of non-homogeneous GPs representation. The conditional GP struc…
We propose a new variational inference algorithm for learning in Gaussian Process State-Space Models (GPSSMs). Our algorithm enables learning of unstable and partially observable systems, where previous algorithms fail. Our main algorithmic contribution is a novel approximate posterior that can be calculated efficiently using a single forward and backward pass along the training trajectories. The forward-backward pass is inspired on Kalman smoothing for linear dynamical systems but generalizes to GPSSMs. Our second contribution is a modification of the conditioning step that effectively lowers…
The estimation of dependencies between multiple variables is a central problem in the analysis of financial time series. A common approach is to express these dependencies in terms of a copula function. Typically the copula function is assumed to be constant but this may be inaccurate when there are covariates that could have a large influence on the dependence structure of the data. To account for this, a Bayesian framework for the estimation of conditional copulas is proposed. In this framework the parameters of a copula are non-linearly related to some arbitrary conditioning variables. We e…
Gaussian process regression in its most simplified form assumes normal homoscedastic noise and utilizes analytically tractable mean and covariance functions of predictive posterior distribution using Gaussian conditioning. Its hyperparameters are estimated by maximizing the evidence, commonly known as type II maximum likelihood estimation. Unfortunately, Bayesian inference based on Gaussian likelihood is not robust to outliers, which are often present in the observational training data sets. To overcome this problem, we propose a robust process model in the Gaussian process framework with the …
A concentration graph associated with a random vector is an undirected graph where each vertex corresponds to one random variable in the vector. The absence of an edge between any pair of vertices (or variables) is equivalent to full conditional independence between these two variables given all the other variables. In the multivariate Gaussian case, the absence of an edge corresponds to a zero coefficient in the precision matrix, which is the inverse of the covariance matrix. It is well known that this concentration graph represents some of the conditional independencies in the distribution o…
