Score-based generative models are a popular class of generative modelling techniques relying on stochastic differential equations (SDE). From their inception, it was realized that it was also possible to perform generation using ordinary differential equations (ODE) rather than SDE. This led to the introduction of the probability flow ODE approach and denoising diffusion implicit models. Flow matching methods have recently further extended these ODE-based approaches and approximate a flow between two arbitrary probability distributions. Previous work derived bounds on the approximation error of diffusion models under the stochastic sampling regime, given assumptions on the $L^2$ loss. We present error bounds for the flow matching procedure using fully deterministic sampling, assuming an $L^2$ bound on the approximation error and a certain regularity condition on the data distributions.
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We introduce a physics-driven deep latent variable model (PDDLVM) to learn simultaneously parameter-to-solution (forward) and solution-to-parameter (inverse) maps of parametric partial differential equations (PDEs). Our formulation leverages conventional PDE discretization techniques, deep neural networks, probabilistic modelling, and variational inference to assemble a fully probabilistic coherent framework. In the posited probabilistic model, both the forward and inverse maps are approximated as Gaussian distributions with a mean and covariance parameterized by deep neural networks. The PDE residual is assumed to be an observed random vector of value zero, hence we model it as a random vector with a zero mean and a user-prescribed covariance. The model is trained by maximizing the probability, that is the evidence or marginal likelihood, of observing a residual of zero by maximizing the evidence lower bound (ELBO). Consequently, the proposed methodology does not require any independent PDE solves and is physics-informed at training time, allowing the real-time solution of PDE forward and inverse problems after training. The proposed framework can be easily extended to seamlessly integrate observed data to solve inverse problems and to build generative models. We demonstrate the efficiency and robustness of our method on finite element discretized parametric PDE problems such as linear and nonlinear Poisson problems, elastic shells with complex 3D geometries, and time-dependent nonlinear and inhomogeneous PDEs using a physics-informed neural network (PINN) discretization. We achieve up to three orders of magnitude speed-up after training compared to traditional finite element method (FEM), while outputting coherent uncertainty estimates.
Bayesian model comparison (BMC) offers a principled approach for assessing the relative merits of competing computational models and propagating uncertainty into model selection decisions. However, BMC is often intractable for the popular class of hierarchical models due to their high-dimensional nested parameter structure. To address this intractability, we propose a deep learning method for performing BMC on any set of hierarchical models which can be instantiated as probabilistic programs. Since our method enables amortized inference, it allows efficient re-estimation of posterior model probabilities and fast performance validation prior to any real-data application. In a series of extensive validation studies, we benchmark the performance of our method against the state-of-the-art bridge sampling method and demonstrate excellent amortized inference across all BMC settings. We then showcase our method by comparing four hierarchical evidence accumulation models that have previously been deemed intractable for BMC due to partly implicit likelihoods. In this application, we corroborate evidence for the recently proposed L\'evy flight model of decision-making and show how transfer learning can be leveraged to enhance training efficiency. We provide reproducible code for all analyses and an open-source implementation of our method.
Standard multiparameter eigenvalue problems (MEPs) are systems of $k\ge 2$ linear $k$-parameter square matrix pencils. Recently, a new form of multiparameter eigenvalue problems has emerged: a rectangular MEP (RMEP) with only one multivariate rectangular matrix pencil, where we are looking for combinations of the parameters for which the rank of the pencil is not full. Applications include finding the optimal least squares autoregressive moving average (ARMA) model and the optimal least squares realization of autonomous linear time-invariant (LTI) dynamical system. For linear and polynomial RMEPs, we give the number of solutions and show how these problems can be solved numerically by a transformation into a standard MEP. For the transformation we provide new linearizations for quadratic multivariate matrix polynomials with a specific structure of monomials and consider mixed systems of rectangular and square multivariate matrix polynomials. This numerical approach seems computationally considerably more attractive than the block Macaulay method, the only other currently available numerical method for polynomial RMEPs.
We present a new residual-type energy-norm a posteriori error analysis for interior penalty discontinuous Galerkin (dG) methods for linear elliptic problems. The new error bounds are also applicable to dG methods on meshes consisting of elements with very general polygonal/polyhedral shapes. The case of simplicial and/or box-type elements is included in the analysis as a special case. In particular, for the upper bounds, an arbitrary number of very small faces are allowed on each polygonal/polyhedral element, as long as certain mild shape regularity assumptions are satisfied. As a corollary, the present analysis generalizes known a posteriori error bounds for dG methods, allowing in particular for meshes with an arbitrary number of irregular hanging nodes per element. The proof hinges on a new conforming recovery strategy in conjunction with a Helmholtz decomposition formula. The resulting a posteriori error bound involves jumps on the tangential derivatives along elemental faces. Local lower bounds are also proven for a number of practical cases. Numerical experiments are also presented, highlighting the practical value of the derived a posteriori error bounds as error estimators.
We consider the estimation of factor model-based variance-covariance matrix when the factor loading matrix is assumed sparse. To do so, we rely on a system of penalized estimating functions to account for the identification issue of the factor loading matrix while fostering sparsity in potentially all its entries. We prove the oracle property of the penalized estimator for the factor model when the dimension is fixed. That is, the penalization procedure can recover the true sparse support, and the estimator is asymptotically normally distributed. Consistency and recovery of the true zero entries are established when the number of parameters is diverging. These theoretical results are supported by simulation experiments, and the relevance of the proposed method is illustrated by an application to portfolio allocation.
We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang's breakthrough quantum-inspired algorithm for recommendation systems [STOC'19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gily\'en, Su, Low, and Wiebe [STOC'19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all recent results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: $\ell^2$-norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.
Diffusion models are a class of deep generative models that have shown impressive results on various tasks with dense theoretical founding. Although diffusion models have achieved impressive quality and diversity of sample synthesis than other state-of-the-art models, they still suffer from costly sampling procedure and sub-optimal likelihood estimation. Recent studies have shown great enthusiasm on improving the performance of diffusion model. In this article, we present a first comprehensive review of existing variants of the diffusion models. Specifically, we provide a first taxonomy of diffusion models and categorize them variants to three types, namely sampling-acceleration enhancement, likelihood-maximization enhancement and data-generalization enhancement. We also introduce in detail other five generative models (i.e., variational autoencoders, generative adversarial networks, normalizing flow, autoregressive models, and energy-based models), and clarify the connections between diffusion models and these generative models. Then we make a thorough investigation into the applications of diffusion models, including computer vision, natural language processing, waveform signal processing, multi-modal modeling, molecular graph generation, time series modeling, and adversarial purification. Furthermore, we propose new perspectives pertaining to the development of this generative model.
A proper fusion of complex data is of interest to many researchers in diverse fields, including computational statistics, computational geometry, bioinformatics, machine learning, pattern recognition, quality management, engineering, statistics, finance, economics, etc. It plays a crucial role in: synthetic description of data processes or whole domains, creation of rule bases for approximate reasoning tasks, reaching consensus and selection of the optimal strategy in decision support systems, imputation of missing values, data deduplication and consolidation, record linkage across heterogeneous databases, and clustering. This open-access research monograph integrates the spread-out results from different domains using the methodology of the well-established classical aggregation framework, introduces researchers and practitioners to Aggregation 2.0, as well as points out the challenges and interesting directions for further research.
In 1954, Alston S. Householder published Principles of Numerical Analysis, one of the first modern treatments on matrix decomposition that favored a (block) LU decomposition-the factorization of a matrix into the product of lower and upper triangular matrices. And now, matrix decomposition has become a core technology in machine learning, largely due to the development of the back propagation algorithm in fitting a neural network. The sole aim of this survey is to give a self-contained introduction to concepts and mathematical tools in numerical linear algebra and matrix analysis in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of the Euclidean space, Hermitian space, Hilbert space, and things in the complex domain. We refer the reader to literature in the field of linear algebra for a more detailed introduction to the related fields.
Invariant approaches have been remarkably successful in tackling the problem of domain generalization, where the objective is to perform inference on data distributions different from those used in training. In our work, we investigate whether it is possible to leverage domain information from the unseen test samples themselves. We propose a domain-adaptive approach consisting of two steps: a) we first learn a discriminative domain embedding from unsupervised training examples, and b) use this domain embedding as supplementary information to build a domain-adaptive model, that takes both the input as well as its domain into account while making predictions. For unseen domains, our method simply uses few unlabelled test examples to construct the domain embedding. This enables adaptive classification on any unseen domain. Our approach achieves state-of-the-art performance on various domain generalization benchmarks. In addition, we introduce the first real-world, large-scale domain generalization benchmark, Geo-YFCC, containing 1.1M samples over 40 training, 7 validation, and 15 test domains, orders of magnitude larger than prior work. We show that the existing approaches either do not scale to this dataset or underperform compared to the simple baseline of training a model on the union of data from all training domains. In contrast, our approach achieves a significant improvement.
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