Institute for Molecular Medicine Finland (FIMM), University of Helsinki（赫尔辛基大学芬兰分子医学研究所（FIMM））；Helsinki Institute for Information Technology HIIT（赫尔辛基信息技术研究所（HIIT））；Aalto University（阿尔托大学）
Xiangju Qin, Paul Blomstedt, Samuel Kaski
备注：
7 pages, 1 figures, 2 tables. The paper has been accepted for publication in the proceedings of the 28th International Joint Conference on Artificial Intelligence (IJCAI 2019)
Matrix completion aims to predict missing elements in a partially observed data matrix which in typical applications, such as collaborative filtering, is large and extremely sparsely observed. A standard solution is matrix factorization, which predicts unobserved entries as linear combinations of latent variables. We generalize to non-linear combinations in massive-scale matrices. Bayesian approaches have been proven beneficial in linear matrix completion, but not applied in the more general non-linear case, due to limited scalability. We introduce a Bayesian non-linear matrix completion algorithm, which is based on a recent Bayesian formulation of Gaussian process latent variable models. To solve the challenges regarding scalability and computation, we propose a data-parallel distributed computational approach with a restricted communication scheme. We evaluate our method on challenging out-of-matrix prediction tasks using both simulated and real-world data.
Low rank tensor ring model is powerful for image completion which recovers missing entries in data acquisition and transformation. The recently proposed tensor ring (TR) based completion algorithms generally solve the low rank optimization problem by alternating least squares method with predefined ranks, which may easily lead to overfitting when the unknown ranks are set too large and only a few measurements are available. In this paper, we present a Bayesian low rank tensor ring model for image completion by automatically learning the low rank structure of data. A multiplicative interaction …
We derive analytical expression of matrix factorization/completion solution by variational Bayes method, under the assumption that observed matrix is originally the product of low-rank dense and sparse matrices with additive noise. We assume the prior of sparse matrix is Laplace distribution by taking matrix sparsity into consideration. Then we use several approximations for derivation of matrix factorization/completion solution. By our solution, we also numerically evaluate the performance of sparse matrix reconstruction in matrix factorization, and completion of missing matrix element in mat…
A novel regularizer of the PARAFAC decomposition factors capturing the tensor's rank is proposed in this paper, as the key enabler for completion of three-way data arrays with missing entries. Set in a Bayesian framework, the tensor completion method incorporates prior information to enhance its smoothing and prediction capabilities. This probabilistic approach can naturally accommodate general models for the data distribution, lending itself to various fitting criteria that yield optimum estimates in the maximum-a-posteriori sense. In particular, two algorithms are devised for Gaussian- and P…
Department of Mathematics, UC Santa Barbara（加州大学圣巴巴拉分校数学系）；Department of ECE, UC Santa Barbara（加州大学圣巴巴拉分校电气工程与计算机科学系）
Streaming tensor factorization is a powerful tool for processing high-volume and multi-way temporal data in Internet networks, recommender systems and image/video data analysis. Existing streaming tensor factorization algorithms rely on least-squares data fitting and they do not possess a mechanism for tensor rank determination. This leaves them susceptible to outliers and vulnerable to over-fitting. This paper presents a Bayesian robust streaming tensor factorization model to identify sparse outliers, automatically determine the underlying tensor rank and accurately fit low-rank structure. We…
In this paper we study the problem of bilinear regression and we further address the case when the response matrix contains missing data that referred as the problem of inductive matrix completion. We propose a quasi-Bayesian approach first to the problem of bilinear regression where a quasi-likelihood is employed. Then, we adapt this approach to the context of inductive matrix completion. Under a low-rankness assumption and leveraging PAC-Bayes bound technique, we provide statistical properties for our proposed estimators and for the quasi-posteriors. We propose a Langevin Monte Carlo method …
Matrix and tensor completion are frameworks for a wide range of problems, including collaborative filtering, missing data, and image reconstruction. Missing entries are estimated by leveraging an assumption that the matrix or tensor is low-rank. Most existing Bayesian techniques encourage rank-sparsity by modelling factorized matrices and tensors with Normal-Gamma priors. However, the Horseshoe prior and other "global-local" formulations provide tuning-parameter-free solutions which may better achieve simultaneous rank-sparsity and missing-value recovery. We find these global-local priors outp…
We consider the problem of uncertainty quantification for an unknown low-rank matrix $\mathbf{X}$, given a partial and noisy observation of its entries. This quantification of uncertainty is essential for many real-world problems, including image processing, satellite imaging, and seismology, providing a principled framework for validating scientific conclusions and guiding decision-making. However, existing literature has mainly focused on the completion (i.e., point estimation) of the matrix $\mathbf{X}$, with little work on investigating its uncertainty. To this end, we propose in this work…
University of California, Santa Barbara（加州大学圣巴巴拉分校）
This paper presents a multi-dimensional computational method to predict the spatial variation data inside and across multiple dies of a wafer. This technique is based on tensor computation. A tensor is a high-dimensional generalization of a matrix or a vector. By exploiting the hidden low-rank property of a high-dimensional data array, the large amount of unknown variation testing data may be predicted from a few random measurement samples. The tensor rank, which decides the complexity of a tensor representation, is decided by an available variational Bayesian approach. Our approach is validat…
Aalto University（阿尔托大学）；University of Manchester（曼彻斯特大学）
We introduce implicit Bayesian neural networks, a simple and scalable approach for uncertainty representation in deep learning. Standard Bayesian approach to deep learning requires the impractical inference of the posterior distribution over millions of parameters. Instead, we propose to induce a distribution that captures the uncertainty over neural networks by augmenting each layer's inputs with latent variables. We present appropriate input distributions and demonstrate state-of-the-art performance in terms of calibration, robustness and uncertainty characterisation over large-scale, multi-…
Center for Theoretical Neuroscience（理论神经科学中心）；Columbia University（哥伦比亚大学）
Bayesian optimization has emerged as a strong candidate tool for global optimization of functions with expensive evaluation costs. However, due to the dynamic nature of research in Bayesian approaches, and the evolution of computing technology, using Bayesian optimization in a parallel computing environment remains a challenge for the non-expert. In this report, I review the state-of-the-art in parallel and scalable Bayesian optimization methods. In addition, I propose practical ways to avoid a few of the pitfalls of Bayesian optimization, such as oversampling of edge parameters and over-explo…
In recent years, leveraging parallel and distributed computational resources has become essential to solve problems of high computational cost. Bayesian optimization (BO) has shown attractive results in those expensive-to-evaluate problems such as hyperparameter optimization of machine learning algorithms. While many parallel BO methods have been developed to search efficiently utilizing these computational resources, these methods assumed synchronous settings or were not scalable. In this paper, we propose a simple and scalable BO method for asynchronous parallel settings. Experiments are car…
New Jersey Institute of Technology（新泽西理工学院）；Central Michigan University（中密歇根大学）
Firms earning prediction plays a vital role in investment decisions, dividends expectation, and share price. It often involves multiple tensor-compatible datasets with non-linear multi-way relationships, spatiotemporal structures, and different levels of sparsity. Current non-linear tensor completion algorithms tend to learn noisy embedding and incur overfitting. This paper focuses on the embedding learning aspect of the tensor completion problem and proposes a new multi-layer neural network architecture for tensor factorization and completion (MLCTR). The network architecture entails multiple…
Bayesian optimization (BO) is a model-based approach for gradient-free black-box function optimization. Typically, BO is powered by a Gaussian process (GP), whose algorithmic complexity is cubic in the number of evaluations. Hence, GP-based BO cannot leverage large amounts of past or related function evaluations, for example, to warm start the BO procedure. We develop a multiple adaptive Bayesian linear regression model as a scalable alternative whose complexity is linear in the number of observations. The multiple Bayesian linear regression models are coupled through a shared feedforward neur…
Bayesian optimization is a technique for optimizing black-box target functions. At the core of Bayesian optimization is a surrogate model that predicts the output of the target function at previously unseen inputs to facilitate the selection of promising input values. Gaussian processes (GPs) are commonly used as surrogate models but are known to scale poorly with the number of observations. We adapt the Vecchia approximation, a popular GP approximation from spatial statistics, to enable scalable high-dimensional Bayesian optimization. We develop several improvements and extensions, including …
Sandia National Laboratories（桑迪亚国家实验室）；Xilinx Inc.（赛灵思公司）
Bayesian optimization (BO) is a flexible and powerful framework that is suitable for computationally expensive simulation-based applications and guarantees statistical convergence to the global optimum. While remaining as one of the most popular optimization methods, its capability is hindered by the size of data, the dimensionality of the considered problem, and the nature of sequential optimization. These scalability issues are intertwined with each other and must be tackled simultaneously. In this work, we propose the Scalable$^3$-BO framework, which employs sparse GP as the underlying surr…
University of Potsdam（波茨坦大学）；École Nationale de la Statistique et de l’administration économique（国家统计与经济管理学院）；CNRS（法国国家科学研究中心）；Université Paris-Dauphine（巴黎九大）；PSL Research University（巴黎文理研究大学）
We present a case-study demonstrating the usefulness of Bayesian hierarchical mixture modelling for investigating cognitive processes. In sentence comprehension, it is widely assumed that the distance between linguistic co-dependents affects the latency of dependency resolution: the longer the distance, the longer the retrieval time (the distance-based account). An alternative theory, direct-access, assumes that retrieval times are a mixture of two distributions: one distribution represents successful retrievals (these are independent of dependency distance) and the other represents an initial…
We present a novel, scalable and Bayesian approach to modelling the occurrence of pairs of symbols (i,j) drawn from a large vocabulary. Observed pairs are assumed to be generated by a simple popularity based selection process followed by censoring using a preference function. By basing inference on the well-founded principle of variational bounding, and using new site-independent bounds, we show how a scalable inference procedure can be obtained for large data sets. State of the art results are presented on real-world movie viewing data.
University of California, Berkeley（加州大学伯克利分校）；Intel Corporation（英特尔公司）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
Celeste is a procedure for inferring astronomical catalogs that attains state-of-the-art scientific results. To date, Celeste has been scaled to at most hundreds of megabytes of astronomical images: Bayesian posterior inference is notoriously demanding computationally. In this paper, we report on a scalable, parallel version of Celeste, suitable for learning catalogs from modern large-scale astronomical datasets. Our algorithmic innovations include a fast numerical optimization routine for Bayesian posterior inference and a statistically efficient scheme for decomposing astronomical optimizati…
The global optimization of a high-dimensional black-box function under black-box constraints is a pervasive task in machine learning, control, and engineering. These problems are challenging since the feasible set is typically non-convex and hard to find, in addition to the curses of dimensionality and the heterogeneity of the underlying functions. In particular, these characteristics dramatically impact the performance of Bayesian optimization methods, that otherwise have become the de facto standard for sample-efficient optimization in unconstrained settings, leaving practitioners with evolu…
We present K-Means Batch Bayesian Optimization (KMBBO), a novel batch sampling algorithm for Bayesian Optimization (BO). KMBBO uses unsupervised learning to efficiently estimate peaks of the model acquisition function. We show in empirical experiments that our method outperforms the current state-of-the-art batch allocation algorithms on a variety of test problems including tuning of algorithm hyper-parameters and a challenging drug discovery problem. In order to accommodate the real-world problem of high dimensional data, we propose a modification to KMBBO by combining it with compressed sens…
Datasets are growing not just in size but in complexity, creating a demand for rich models and quantification of uncertainty. Bayesian methods are an excellent fit for this demand, but scaling Bayesian inference is a challenge. In response to this challenge, there has been considerable recent work based on varying assumptions about model structure, underlying computational resources, and the importance of asymptotic correctness. As a result, there is a zoo of ideas with few clear overarching principles. In this paper, we seek to identify unifying principles, patterns, and intuitions for scalin…
University at Buffalo（布法罗大学）；Duke University（杜克大学）
There has been recent interest in developing scalable Bayesian sampling methods such as stochastic gradient MCMC (SG-MCMC) and Stein variational gradient descent (SVGD) for big-data analysis. A standard SG-MCMC algorithm simulates samples from a discrete-time Markov chain to approximate a target distribution, thus samples could be highly correlated, an undesired property for SG-MCMC. In contrary, SVGD directly optimizes a set of particles to approximate a target distribution, and thus is able to obtain good approximations with relatively much fewer samples. In this paper, we propose a principl…
Explosive growth in data and availability of cheap computing resources have sparked increasing interest in Big learning, an emerging subfield that studies scalable machine learning algorithms, systems, and applications with Big Data. Bayesian methods represent one important class of statistic methods for machine learning, with substantial recent developments on adaptive, flexible and scalable Bayesian learning. This article provides a survey of the recent advances in Big learning with Bayesian methods, termed Big Bayesian Learning, including nonparametric Bayesian methods for adaptively inferr…
Ericsson Research（爱立信研究院）；KTH Royal Institute of Technology（KTH皇家理工学院）
Cell-free multi-user multiple input multiple output networks are a promising alternative to classical cellular architectures, since they have the potential to provide uniform service quality and high resource utilisation over the entire coverage area of the network. To realise this potential, previous works have developed radio resource management mechanisms using various optimisation engines. In this work, we consider the problem of overall ergodic spectral efficiency maximisation in the context of uplink-downlink data power control in cell-free networks. To solve this problem in large networ…
We develop a weighted Bayesian Bootstrap (WBB) for machine learning and statistics. WBB provides uncertainty quantification by sampling from a high dimensional posterior distribution. WBB is computationally fast and scalable using only off-theshelf optimization software such as TensorFlow. We provide regularity conditions which apply to a wide range of machine learning and statistical models. We illustrate our methodology in regularized regression, trend filtering and deep learning. Finally, we conclude with directions for future research.
Large multilayer neural networks trained with backpropagation have recently achieved state-of-the-art results in a wide range of problems. However, using backprop for neural net learning still has some disadvantages, e.g., having to tune a large number of hyperparameters to the data, lack of calibrated probabilistic predictions, and a tendency to overfit the training data. In principle, the Bayesian approach to learning neural networks does not have these problems. However, existing Bayesian techniques lack scalability to large dataset and network sizes. In this work we present a novel scalabl…
Bayesian hierarchical modeling is a popular approach to capturing unobserved heterogeneity across individual units. However, standard estimation methods such as Markov chain Monte Carlo (MCMC) can be impracticable for modeling outcomes from a large number of units. We develop a new method to sample from posterior distributions of Bayesian models, without using MCMC. Samples are independent, so they can be collected in parallel, and we do not need to be concerned with issues like chain convergence and autocorrelation. The algorithm is scalable under the weak assumption that individual units are…
We present a Bayesian non-negative tensor factorization model for count-valued tensor data, and develop scalable inference algorithms (both batch and online) for dealing with massive tensors. Our generative model can handle overdispersed counts as well as infer the rank of the decomposition. Moreover, leveraging a reparameterization of the Poisson distribution as a multinomial facilitates conjugacy in the model and enables simple and efficient Gibbs sampling and variational Bayes (VB) inference updates, with a computational cost that only depends on the number of nonzeros in the tensor. The mo…
University of Michigan（密歇根大学）；Duke University（杜克大学）
Analysis of heterogeneous patterns in complex spatio-temporal data finds usage across various domains in applied science and engineering, including training autonomous vehicles to navigate in complex traffic scenarios. Motivated by applications arising in the transportation domain, in this paper we develop a model for learning heterogeneous and dynamic patterns of velocity field data. We draw from basic nonparameric Bayesian modeling elements such as hierarchical Dirichlet process and infinite hidden Markov model, while the smoothness of each homogeneous velocity field element is captured with…
Skolkovo Institute of Science and Technology（斯科尔科沃科学技术研究院）；Technology Innovation Institute（技术创新研究院）
In deep active learning, it is especially important to choose multiple examples to markup at each step to work efficiently, especially on large datasets. At the same time, existing solutions to this problem in the Bayesian setup, such as BatchBALD, have significant limitations in selecting a large number of examples, associated with the exponential complexity of computing mutual information for joint random variables. We, therefore, present the Large BatchBALD algorithm, which gives a well-grounded approximation to the BatchBALD method that aims to achieve comparable quality while being more c…
We propose a scalable Bayesian preference learning method for jointly predicting the preferences of individuals as well as the consensus of a crowd from pairwise labels. Peoples' opinions often differ greatly, making it difficult to predict their preferences from small amounts of personal data. Individual biases also make it harder to infer the consensus of a crowd when there are few labels per item. We address these challenges by combining matrix factorisation with Gaussian processes, using a Bayesian approach to account for uncertainty arising from noisy and sparse data. Our method exploits …
University of Oxford（牛津大学）；University of British Columbia（不列颠哥伦比亚大学）；The Alan Turing Institute（艾伦·图灵研究所）
Bayesian inference via standard Markov Chain Monte Carlo (MCMC) methods is too computationally intensive to handle large datasets, since the cost per step usually scales like $Θ(n)$ in the number of data points $n$. We propose the Scalable Metropolis-Hastings (SMH) kernel that exploits Gaussian concentration of the posterior to require processing on average only $O(1)$ or even $O(1/\sqrt{n})$ data points per step. This scheme is based on a combination of factorized acceptance probabilities, procedures for fast simulation of Bernoulli processes, and control variate ideas. Contrary to many MCMC …
While deep neural networks have become the go-to approach in computer vision, the vast majority of these models fail to properly capture the uncertainty inherent in their predictions. Estimating this predictive uncertainty can be crucial, for example in automotive applications. In Bayesian deep learning, predictive uncertainty is commonly decomposed into the distinct types of aleatoric and epistemic uncertainty. The former can be estimated by letting a neural network output the parameters of a certain probability distribution. Epistemic uncertainty estimation is a more challenging problem, and…
IBM Research（IBM研究（中心））；Dublin, Ireland（爱尔兰都柏林（注意：Dublin, Ireland是地址，非机构，按要求不应提取，此处原数据中可能存在格式错误，正确机构应为IBM Research，而Dublin, Ireland是地点信息，根据提取规则，不应提取地址，因此仅保留IBM Research））
We introduce a new Bayesian multi-class support vector machine by formulating a pseudo-likelihood for a multi-class hinge loss in the form of a location-scale mixture of Gaussians. We derive a variational-inference-based training objective for gradient-based learning. Additionally, we employ an inducing point approximation which scales inference to large data sets. Furthermore, we develop hybrid Bayesian neural networks that combine standard deep learning components with the proposed model to enable learning for unstructured data. We provide empirical evidence that our model outperforms the co…
Bayesian optimization has recently emerged as a popular method for the sample-efficient optimization of expensive black-box functions. However, the application to high-dimensional problems with several thousand observations remains challenging, and on difficult problems Bayesian optimization is often not competitive with other paradigms. In this paper we take the view that this is due to the implicit homogeneity of the global probabilistic models and an overemphasized exploration that results from global acquisition. This motivates the design of a local probabilistic approach for global optimi…
We present a new probabilistic method for detecting, deblending, and cataloging astronomical sources called the Bayesian Light Source Separator (BLISS). BLISS is based on deep generative models, which embed neural networks within a Bayesian model. For posterior inference, BLISS uses a new form of variational inference known as Forward Amortized Variational Inference. The BLISS inference routine is fast, requiring a single forward pass of the encoder networks on a GPU once the encoder networks are trained. BLISS can perform fully Bayesian inference on megapixel images in seconds, and produces h…
Stanford University（斯坦福大学）；Facebook AI Research（Facebook人工智能研究院）；University of California, Los Angeles（加州大学洛杉矶分校）
A structural equation model (SEM) is an effective framework to reason over causal relationships represented via a directed acyclic graph (DAG). Recent advances have enabled effective maximum-likelihood point estimation of DAGs from observational data. However, a point estimate may not accurately capture the uncertainty in inferring the underlying graph in practical scenarios, wherein the true DAG is non-identifiable and/or the observed dataset is limited. We propose Bayesian Causal Discovery Nets (BCD Nets), a variational inference framework for estimating a distribution over DAGs characterizi…
We implement gradient-based variational inference routines for Wishart and inverse Wishart processes, which we apply as Bayesian models for the dynamic, heteroskedastic covariance matrix of a multivariate time series. The Wishart and inverse Wishart processes are constructed from i.i.d. Gaussian processes, existing variational inference algorithms for which form the basis of our approach. These methods are easy to implement as a black-box and scale favorably with the length of the time series, however, they fail in the case of the Wishart process, an issue we resolve with a simple modification…
In this paper we propose the first non-parametric Bayesian model using Gaussian Processes to make inference on Poisson Point Processes without resorting to gridding the domain or to introducing latent thinning points. Unlike competing models that scale cubically and have a squared memory requirement in the number of data points, our model has a linear complexity and memory requirement. We propose an MCMC sampler and show that our model is faster, more accurate and generates less correlated samples than competing models on both synthetic and real-life data. Finally, we show that our model easil…
We develop a scalable multi-step Monte Carlo algorithm for inference under a large class of nonparametric Bayesian models for clustering and classification. Each step is "embarrassingly parallel" and can be implemented using the same Markov chain Monte Carlo sampler. The simplicity and generality of our approach makes inference for a wide range of Bayesian nonparametric mixture models applicable to large datasets. Specifically, we apply the approach to inference under a product partition model with regression on covariates. We show results for inference with two motivating data sets: a large s…
Bayesian Optimisation (BO) refers to a suite of techniques for global optimisation of expensive black box functions, which use introspective Bayesian models of the function to efficiently search for the optimum. While BO has been applied successfully in many applications, modern optimisation tasks usher in new challenges where conventional methods fail spectacularly. In this work, we present Dragonfly, an open source Python library for scalable and robust BO. Dragonfly incorporates multiple recently developed methods that allow BO to be applied in challenging real world settings; these include…
Norwegian Computing Center（挪威计算中心）；University of Oslo（奥斯陆大学）
Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using Bayesian approach: Parameter and prediction uncertainty become easily available, facilitating rigid statistical analysis. Furthermore, prior knowledge can be incorporated. However so far there have been no scalable techniques capable of combining both model (structural) and parameter uncertainty. In this paper we introduce the concept of model uncertainty in BNN…
Temporal variations of apparent magnitude, called light curves, are observational statistics of interest captured by telescopes over long periods of time. Light curves afford the exploration of Space Domain Awareness (SDA) objectives such as object identification or pose estimation as latent variable inference problems. Ground-based observations from commercial off the shelf (COTS) cameras remain inexpensive compared to higher precision instruments, however, limited sensor availability combined with noisier observations can produce gappy time-series data that can be difficult to model. These e…
The automation of posterior inference in Bayesian data analysis has enabled experts and nonexperts alike to use more sophisticated models, engage in faster exploratory modeling and analysis, and ensure experimental reproducibility. However, standard automated posterior inference algorithms are not tractable at the scale of massive modern datasets, and modifications to make them so are typically model-specific, require expert tuning, and can break theoretical guarantees on inferential quality. Building on the Bayesian coresets framework, this work instead takes advantage of data redundancy to s…
The graph structure of a Bayesian network (BN) can be learned from data using the well-known score-and-search approach. Previous work has shown that incorporating structured representations of the conditional probability distributions (CPDs) into the score-and-search approach can improve the accuracy of the learned graph. In this paper, we present a novel approach capable of learning the graph of a BN and simultaneously modelling linear and non-linear local probabilistic relationships between variables. We achieve this by a combination of feature selection to reduce the search space for local …
The paper addresses joint sparsity selection in the regression coefficient matrix and the error precision (inverse covariance) matrix for high-dimensional multivariate regression models in the Bayesian paradigm. The selected sparsity patterns are crucial to help understand the network of relationships between the predictor and response variables, as well as the conditional relationships among the latter. While Bayesian methods have the advantage of providing natural uncertainty quantification through posterior inclusion probabilities and credible intervals, current Bayesian approaches either r…
