Matrix factorization (MF) has become a common approach to collaborative filtering, due to ease of implementation and scalability to large data sets. Two existing drawbacks of the basic model is that it does not incorporate side information on either users or items, and assumes a common variance for all users. We extend the work of constrained probabilistic matrix factorization by deriving the Gibbs updates for the side feature vectors for items (Salakhutdinov and Minh, 2008). We show that this Bayesian treatment to the constrained PMF model outperforms simple MAP estimation. We also consider extensions to heteroskedastic precision introduced in the literature (Lakshminarayanan, Bouchard, and Archambeau, 2011). We show that this tends result in overfitting for deterministic approximation algorithms (ex: Variational inference) when the observed entries in the user / item matrix are distributed in an non-uniform manner. In light of this, we propose a truncated precision model. Our experimental results suggest that this model tends to delay overfitting.
We introduce Bayesian multi-tensor factorization, a model that is the first Bayesian formulation for joint factorization of multiple matrices and tensors. The research problem generalizes the joint matrix-tensor factorization problem to arbitrary sets of tensors of any depth, including matrices, can be interpreted as unsupervised multi-view learning from multiple data tensors, and can be generalized to relax the usual trilinear tensor factorization assumptions. The result is a factorization of the set of tensors into factors shared by any subsets of the tensors, and factors private to individu…
Non-negative Matrix Factorization (NMF) is a popular tool for data exploration. Bayesian NMF promises to also characterize uncertainty in the factorization. Unfortunately, current inference approaches such as MCMC mix slowly and tend to get stuck on single modes. We introduce a novel approach using rapidly-exploring random trees (RRTs) to asymptotically cover regions of high posterior density. These are placed in a principled Bayesian framework via an online extension to nonparametric variational inference. On experiments on real and synthetic data, we obtain greater coverage of the posterior …
Bayesian Non-negative Matrix Factorization (NMF) is a promising approach for understanding uncertainty and structure in matrix data. However, a large volume of applied work optimizes traditional non-Bayesian NMF objectives that fail to provide a principled understanding of the non-identifiability inherent in NMF-- an issue ideally addressed by a Bayesian approach. Despite their suitability, current Bayesian NMF approaches have failed to gain popularity in an applied setting; they sacrifice flexibility in modeling for tractable computation, tend to get stuck in local modes, and require many tho…
In order to achieve state-of-the-art performance, modern machine learning techniques require careful data pre-processing and hyperparameter tuning. Moreover, given the ever increasing number of machine learning models being developed, model selection is becoming increasingly important. Automating the selection and tuning of machine learning pipelines consisting of data pre-processing methods and machine learning models, has long been one of the goals of the machine learning community. In this paper, we tackle this meta-learning task by combining ideas from collaborative filtering and Bayesian …
Identifying altered pathways that are associated with specific cancer types can potentially bring a significant impact on cancer patient treatment. Accurate identification of such key altered pathways information can be used to develop novel therapeutic agents as well as to understand the molecular mechanisms of various types of cancers better. Tri-matrix factorization is an efficient tool to learn associations between two different entities (e.g., cancer types and pathways in our case) from data. To successfully apply tri-matrix factorization methods to biomedical problems, biological prior k…
We propose Macau, a powerful and flexible Bayesian factorization method for heterogeneous data. Our model can factorize any set of entities and relations that can be represented by a relational model, including tensors and also multiple relations for each entity. Macau can also incorporate side information, specifically entity and relation features, which are crucial for predicting sparsely observed relations. Macau scales to millions of entity instances, hundred millions of observations, and sparse entity features with millions of dimensions. To achieve the scale up, we specially designed sam…
We extend kernelized matrix factorization with a fully Bayesian treatment and with an ability to work with multiple side information sources expressed as different kernels. Kernel functions have been introduced to matrix factorization to integrate side information about the rows and columns (e.g., objects and users in recommender systems), which is necessary for making out-of-matrix (i.e., cold start) predictions. We discuss specifically bipartite graph inference, where the output matrix is binary, but extensions to more general matrices are straightforward. We extend the state of the art in t…
This work explores non-negative low-rank matrix factorization based on regularized Poisson models (PF or "Poisson factorization" for short) for recommender systems with implicit-feedback data. The properties of Poisson likelihood allow a shortcut for very fast computations over zero-valued inputs, and oftentimes results in very sparse factors for both users and items. Compared to HPF (a popular Bayesian formulation of the problem with hierarchical priors), the frequentist optimization-based approach presented here tends to produce better top-N recommendations with significantly shorter fitting…
We propose a generative model of a group EEG analysis, based on appropriate kernel assumptions on EEG data. We derive the variational inference update rule using various approximation techniques. The proposed model outperforms the current state-of-the-art algorithms in terms of common pattern extraction. The validity of the proposed model is tested on the BCI competition dataset.
University of Washington（华盛顿大学）；Carnegie Mellon University（卡内基梅隆大学）
Relational learning can be used to augment one data source with other correlated sources of information, to improve predictive accuracy. We frame a large class of relational learning problems as matrix factorization problems, and propose a hierarchical Bayesian model. Training our Bayesian model using random-walk Metropolis-Hastings is impractically slow, and so we develop a block Metropolis-Hastings sampler which uses the gradient and Hessian of the likelihood to dynamically tune the proposal. We demonstrate that a predictive model of brain response to stimuli can be improved by augmenting it…
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…
There is renewed interest in formulating integration as an inference problem, motivated by obtaining a full distribution over numerical error that can be propagated through subsequent computation. Current methods, such as Bayesian Quadrature, demonstrate impressive empirical performance but lack theoretical analysis. An important challenge is to reconcile these probabilistic integrators with rigorous convergence guarantees. In this paper, we present the first probabilistic integrator that admits such theoretical treatment, called Frank-Wolfe Bayesian Quadrature (FWBQ). Under FWBQ, convergence …
Despite the success of existing tensor factorization methods, most of them conduct a multilinear decomposition, and rarely exploit powerful modeling frameworks, like deep neural networks, to capture a variety of complicated interactions in data. More important, for highly expressive, deep factorization, we lack an effective approach to handle streaming data, which are ubiquitous in real-world applications. To address these issues, we propose SPIDER, a Streaming ProbabilistIc Deep tEnsoR factorization method. We first use Bayesian neural networks (NNs) to construct a deep tensor factorization m…
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 introduce a probabilistic model for learning nonnegative matrix factorization (NMF) that is commonly used for predicting missing values and finding hidden patterns in the data, in which the matrix factors are latent variables associated with each data dimension. The nonnegativity constraint for the latent factors is handled by choosing priors with support on the nonnegative subspace. Bayesian inference procedure based on Gibbs sampling is employed. We evaluate the model on several real-world datasets including MovieLens 100K and MovieLens 1M with different sizes and dimension…
Probabilistic matrix factorization (PMF) is a powerful method for modeling data associated with pairwise relationships, finding use in collaborative filtering, computational biology, and document analysis, among other areas. In many domains, there is additional information that can assist in prediction. For example, when modeling movie ratings, we might know when the rating occurred, where the user lives, or what actors appear in the movie. It is difficult, however, to incorporate this side information into the PMF model. We propose a framework for incorporating side information by coupling to…
Bayesian low-rank matrix factorization techniques have become an essential tool for relational data analysis and matrix completion. A standard approach is to assign zero-mean Gaussian priors on the columns or rows of factor matrices to create a conjugate system. This choice of prior leads to simple implementations; however it also causes symmetries in the posterior distribution that can severely reduce the efficiency of Markov-chain Monte-Carlo (MCMC) sampling approaches. In this paper, we propose a simple modification to the prior choice that provably breaks these symmetries and maintains/imp…
University of Toronto（多伦多大学）；University of Edinburgh（爱丁堡大学）
Probabilistic matrix factorization (PMF) is a powerful method for modeling data associ- ated with pairwise relationships, Finding use in collaborative Filtering, computational bi- ology, and document analysis, among other areas. In many domains, there are additional covariates that can assist in prediction. For example, when modeling movie ratings, we might know when the rating occurred, where the user lives, or what actors appear in the movie. It is difficult, however, to incorporate this side information into the PMF model. We propose a framework for incorporating side information by couplin…
Understanding of the pathophysiology of obstructive lung disease (OLD) is limited by available methods to examine the relationship between multi-omic molecular phenomena and clinical outcomes. Integrative factorization methods for multi-omic data can reveal latent patterns of variation describing important biological signal. However, most methods do not provide a framework for inference on the estimated factorization, simultaneously predict important disease phenotypes or clinical outcomes, nor accommodate multiple imputation. To address these gaps, we propose Bayesian Simultaneous Factorizati…
The aim of this paper is to provide some theoretical understanding of quasi-Bayesian aggregation methods non-negative matrix factorization. We derive an oracle inequality for an aggregated estimator. This result holds for a very general class of prior distributions and shows how the prior affects the rate of convergence.
In Bayesian classification, it is important to establish a probabilistic model for each class for likelihood estimation. Most of the previous methods modeled the probability distribution in the whole sample space. However, real-world problems are usually too complex to model in the whole sample space; some fundamental assumptions are required to simplify the global model, for example, the class conditional independence assumption for naive Bayesian classification. In this paper, with the insight that the distribution in a local sample space should be simpler than that in the whole sample space…
University of Massachusetts Amherst（马萨诸塞大学阿默斯特分校）；Columbia University（哥伦比亚大学）；Microsoft Research（微软研究院）
We present a Bayesian tensor factorization model for inferring latent group structures from dynamic pairwise interaction patterns. For decades, political scientists have collected and analyzed records of the form "country $i$ took action $a$ toward country $j$ at time $t$"---known as dyadic events---in order to form and test theories of international relations. We represent these event data as a tensor of counts and develop Bayesian Poisson tensor factorization to infer a low-dimensional, interpretable representation of their salient patterns. We demonstrate that our model's predictive perform…
In this work, we empirically explore the question: how can we assess the quality of samples from some target distribution? We assume that the samples are provided by some valid Monte Carlo procedure, so we are guaranteed that the collection of samples will asymptotically approximate the true distribution. Most current evaluation approaches focus on two questions: (1) Has the chain mixed, that is, is it sampling from the distribution? and (2) How independent are the samples (as MCMC procedures produce correlated samples)? Focusing on the case of Bayesian nonnegative matrix factorization, we emp…
Bayesian model-based clustering is a widely applied procedure for discovering groups of related observations in a dataset. These approaches use Bayesian mixture models, estimated with MCMC, which provide posterior samples of the model parameters and clustering partition. While inference on model parameters is well established, inference on the clustering partition is less developed. A new method is developed for estimating the optimal partition from the pairwise posterior similarity matrix generated by a Bayesian cluster model. This approach uses non-negative matrix factorization (NMF) to prov…
imec（比利时微电子研究中心）；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）
Matrix factorization is a very common machine learning technique in recommender systems. Bayesian Matrix Factorization (BMF) algorithms would be attractive because of their ability to quantify uncertainty in their predictions and avoid over-fitting, combined with high prediction accuracy. However, they have not been widely used on large-scale data because of their prohibitive computational cost. In recent work, efforts have been made to reduce the cost, both by improving the scalability of the BMF algorithm as well as its implementation, but so far mainly separately. In this paper we show that…
Nonnegative matrix factorization (NMF) with group sparsity constraints is formulated as a probabilistic graphical model and, assuming some observed data have been generated by the model, a feasible variational Bayesian algorithm is derived for learning model parameters. When used in a supervised learning scenario, NMF is most often utilized as an unsupervised feature extractor followed by classification in the obtained feature subspace. Having mapped the class labels to a more general concept of groups which underlie sparsity of the coefficients, what the proposed group sparse NMF model allows…
Criteo AI Lab（Criteo人工智能实验室）；IRIT（图卢兹计算机科学研究所）；Université de Toulouse（图卢兹大学）；CNRS（法国国家科学研究中心）
Binary data matrices can represent many types of data such as social networks, votes, or gene expression. In some cases, the analysis of binary matrices can be tackled with nonnegative matrix factorization (NMF), where the observed data matrix is approximated by the product of two smaller nonnegative matrices. In this context, probabilistic NMF assumes a generative model where the data is usually Bernoulli-distributed. Often, a link function is used to map the factorization to the $[0,1]$ range, ensuring a valid Bernoulli mean parameter. However, link functions have the potential disadvantage …
NTT DATA Mathematical Systems Inc.（NTT数据数学系统公司）；Tokyo Institute of Technology（东京工业大学）
Non-negative matrix factorization (NMF) is a knowledge discovery method that is used in many fields. Variational inference and Gibbs sampling methods for it are also wellknown. However, the variational approximation error has not been clarified yet, because NMF is not statistically regular and the prior distribution used in variational Bayesian NMF (VBNMF) has zero or divergence points. In this paper, using algebraic geometrical methods, we theoretically analyze the difference in negative log evidence (a.k.a. free energy) between VBNMF and Bayesian NMF, i.e., the Kullback-Leibler divergence be…
Non-negative tensor factorization models enable predictive analysis on count data. Among them, Bayesian Poisson-Gamma models can derive full posterior distributions of latent factors and are less sensitive to sparse count data. However, current inference methods for these Bayesian models adopt restricted update rules for the posterior parameters. They also fail to share the update information to better cope with the data sparsity. Moreover, these models are not endowed with a component that handles the imbalance in count data values. In this paper, we propose a novel variational auto-encoder f…
Environmental health researchers may aim to identify exposure patterns that represent sources, product use, or behaviors that give rise to mixtures of potentially harmful environmental chemical exposures. We present Bayesian non-parametric non-negative matrix factorization (BN^2MF) as a novel method to identify patterns of chemical exposures when the number of patterns is not known a priori. We placed non-negative continuous priors on pattern loadings and individual scores to enhance interpretability and used a clever non-parametric sparse prior to estimate the pattern number. We further deriv…
Kernel Bayesian inference is a principled approach to nonparametric inference in probabilistic graphical models, where probabilistic relationships between variables are learned from data in a nonparametric manner. Various algorithms of kernel Bayesian inference have been developed by combining kernelized basic probabilistic operations such as the kernel sum rule and kernel Bayes' rule. However, the current framework is fully nonparametric, and it does not allow a user to flexibly combine nonparametric and model-based inferences. This is inefficient when there are good probabilistic models (or …
Bayesian neural networks provide a direct and natural way to extend standard deep neural networks to support probabilistic deep learning through the use of probabilistic layers that, traditionally, encode weight (and bias) uncertainty. In particular, hybrid Bayesian neural networks utilize standard deterministic layers together with few probabilistic layers judicially positioned in the networks for uncertainty estimation. A major aspect and benefit of Bayesian inference is that priors, in principle, provide the means to encode prior knowledge for use in inference and prediction. However, it is…
CANDECOMP/PARAFAC (CP) tensor factorization of incomplete data is a powerful technique for tensor completion through explicitly capturing the multilinear latent factors. The existing CP algorithms require the tensor rank to be manually specified, however, the determination of tensor rank remains a challenging problem especially for CP rank. In addition, existing approaches do not take into account uncertainty information of latent factors, as well as missing entries. To address these issues, we formulate CP factorization using a hierarchical probabilistic model and employ a fully Bayesian trea…
Item response theory (IRT) is a non-linear generative probabilistic paradigm for using exams to identify, quantify, and compare latent traits of individuals, relative to their peers, within a population of interest. In pre-existing multidimensional IRT methods, one requires a factorization of the test items. For this task, linear exploratory factor analysis is used, making IRT a posthoc model. We propose skipping the initial factor analysis by using a sparsity-promoting horseshoe prior to perform factorization directly within the IRT model so that all training occurs in a single self-consisten…
Deep Functional Factor Models: Forecasting High-Dimensional Functional Time Series via Bayesian Nonparametric Factorization
London School of Economics（伦敦经济学院）；Faculty of Business（商学院）；Economics, The University of Hong Kong（经济学，香港大学）；Management School, University of Liverpool（利物浦大学管理学院）
We study probabilistic safety for Bayesian Neural Networks (BNNs) under adversarial input perturbations. Given a compact set of input points, $T \subseteq \mathbb{R}^m$, we study the probability w.r.t. the BNN posterior that all the points in $T$ are mapped to the same region $S$ in the output space. In particular, this can be used to evaluate the probability that a network sampled from the BNN is vulnerable to adversarial attacks. We rely on relaxation techniques from non-convex optimization to develop a method for computing a lower bound on probabilistic safety for BNNs, deriving explicit pr…
The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which are typically underspecified by the data, and can represent many compelling but different solutions. We show that deep ensembles provide an effective mechanism for approximate Bayesian marginalization, and propose a related approach that further improves the predictive distribution by marginalizing within basins of attraction, without significant overhead. We…
Probabilistic vehicle trajectory prediction is essential for robust safety of autonomous driving. Current methods for long-term trajectory prediction cannot guarantee the physical feasibility of predicted distribution. Moreover, their models cannot adapt to the driving policy of the predicted target human driver. In this work, we propose to overcome these two shortcomings by a Bayesian recurrent neural network model consisting of Bayesian-neural-network-based policy model and known physical model of the scenario. Bayesian neural network can ensemble complicated output distribution, enabling ri…
The vast majority of current machine learning algorithms are designed to predict single responses or a vector of responses, yet many types of response are more naturally organized as matrices or higher-order tensor objects where characteristics are shared across modes. We present a new machine learning algorithm BaTFLED (Bayesian Tensor Factorization Linked to External Data) that predicts values in a three-dimensional response tensor using input features for each of the dimensions. BaTFLED uses a probabilistic Bayesian framework to learn projection matrices mapping input features for each mode…
Universitat Politècnica de València（瓦伦西亚理工大学）；Universidad Autónoma de Madrid（马德里自治大学）
Deep Neural Networks (DNNs) have achieved state-of-the-art accuracy performance in many tasks. However, recent works have pointed out that the outputs provided by these models are not well-calibrated, seriously limiting their use in critical decision scenarios. In this work, we propose to use a decoupled Bayesian stage, implemented with a Bayesian Neural Network (BNN), to map the uncalibrated probabilities provided by a DNN to calibrated ones, consistently improving calibration. Our results evidence that incorporating uncertainty provides more reliable probabilistic models, a critical conditio…
It has become routine to collect data that are structured as multiway arrays (tensors). There is an enormous literature on low rank and sparse matrix factorizations, but limited consideration of extensions to the tensor case in statistics. The most common low rank tensor factorization relies on parallel factor analysis (PARAFAC), which expresses a rank $k$ tensor as a sum of rank one tensors. When observations are only available for a tiny subset of the cells of a big tensor, the low rank assumption is not sufficient and PARAFAC has poor performance. We induce an additional layer of dimension …
Max-Planck-Institut für Quantenoptik（马克斯·普朗克量子光学研究所）；Munich Center for Quantum Science and Technology (MCQST)（慕尼黑量子科学与技术中心（MCQST））；Dahlem Center for Complex Quantum Systems, Freie Universität Berlin（柏林自由大学达勒姆复杂量子系统中心）；Freie Universität Berlin（柏林自由大学）
Tensor-network techniques have enjoyed outstanding success in physics, and have recently attracted attention in machine learning, both as a tool for the formulation of new learning algorithms and for enhancing the mathematical understanding of existing methods. Inspired by these developments, and the natural correspondence between tensor networks and probabilistic graphical models, we provide a rigorous analysis of the expressive power of various tensor-network factorizations of discrete multivariate probability distributions. These factorizations include non-negative tensor-trains/MPS, which …
Probabilistic programming allows specification of probabilistic models in a declarative manner. Recently, several new software systems and languages for probabilistic programming have been developed on the basis of newly developed and improved methods for approximate inference in probabilistic models. In this contribution a probabilistic model for an idealized dark matter localization problem is described. We first derive the probabilistic model for the inference of dark matter locations and masses, and then show how this model can be implemented using BUGS and Infer.NET, two software systems …
Eindhoven University of Technology（埃因霍温理工大学）；KU Leuven（鲁汶大学）；Graz University of Technology（格拉茨理工大学）
Probabilistic circuits (PCs) are a prominent representation of probability distributions with tractable inference. While parameter learning in PCs is rigorously studied, structure learning is often more based on heuristics than on principled objectives. In this paper, we develop Bayesian structure scores for deterministic PCs, i.e., the structure likelihood with parameters marginalized out, which are well known as rigorous objectives for structure learning in probabilistic graphical models. When used within a greedy cutset algorithm, our scores effectively protect against overfitting and yield…
In many application areas, data are collected on a categorical response and high-dimensional categorical predictors, with the goals being to build a parsimonious model for classification while doing inferences on the important predictors. In settings such as genomics, there can be complex interactions among the predictors. By using a carefully-structured Tucker factorization, we define a model that can characterize any conditional probability, while facilitating variable selection and modeling of higher-order interactions. Following a Bayesian approach, we propose a Markov chain Monte Carlo al…
On Cold Posteriors of Probabilistic Neural Networks: Understanding the Cold Posterior Effect and A New Way to Learn Cold Posteriors with Tight Generalization Guarantees
A Bayesian Boolean Matrix Factorization with Application to Copy Number Analysis in Cancer
Department of Data Science, Dana-Farber Cancer Institute（数据科学部，达纳-法伯癌症研究所）；Department of Biostatistics, Harvard T.H. Chan School of Public Health（生物统计学部，哈佛T.H. 潘克学校公共卫生学院）
Gibbs Sampling for Bayesian Generalized Poisson Matrix Factorization
Organization for the Establishment of the Faculty of Sports Data Science and Business, Chuo University（中央大学体育数据科学与商业学部设立机构）；School of Pharmaceutical Sciences, Wakayama Medical University（和歌山医科大学药学部）
The idea of computer vision as the Bayesian inverse problem to computer graphics has a long history and an appealing elegance, but it has proved difficult to directly implement. Instead, most vision tasks are approached via complex bottom-up processing pipelines. Here we show that it is possible to write short, simple probabilistic graphics programs that define flexible generative models and to automatically invert them to interpret real-world images. Generative probabilistic graphics programs consist of a stochastic scene generator, a renderer based on graphics software, a stochastic likeliho…
University of Oxford（牛津大学）；Northeastern University（东北大学）
We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any graphical model, can be optimized with respect to an arbitrary subset of its sampled variables. To carry out this optimization, we develop the first Bayesian optimization package to directly exploit the source code of its target, leading to innovations in problem-independent hyperpriors, unbounded optimization, and implicit constraint satisfaction; delivering sig…
The Alan Turing Institute（艾伦·图灵研究所）；University of Warwick（华威大学）
This paper demonstrates the application of Bayesian Artificial Neural Networks to Ordinary Differential Equation (ODE) inverse problems. We consider the case of estimating an unknown chaotic dynamical system transition model from state observation data. Inverse problems for chaotic systems are numerically challenging as small perturbations in model parameters can cause very large changes in estimated forward trajectories. Bayesian Artificial Neural Networks can be used to simultaneously fit a model and estimate model parameter uncertainty. Knowledge of model parameter uncertainty can then be i…
We formulate probabilistic numerical approximations to solutions of ordinary differential equations (ODEs) as problems in Gaussian process (GP) regression with non-linear measurement functions. This is achieved by defining the measurement sequence to consist of the observations of the difference between the derivative of the GP and the vector field evaluated at the GP---which are all identically zero at the solution of the ODE. When the GP has a state-space representation, the problem can be reduced to a non-linear Bayesian filtering problem and all widely-used approximations to the Bayesian f…
The emergent field of probabilistic numerics has thus far lacked clear statistical principals. This paper establishes Bayesian probabilistic numerical methods as those which can be cast as solutions to certain inverse problems within the Bayesian framework. This allows us to establish general conditions under which Bayesian probabilistic numerical methods are well-defined, encompassing both non-linear and non-Gaussian models. For general computation, a numerical approximation scheme is proposed and its asymptotic convergence established. The theoretical development is then extended to pipeline…
Industrial applications frequently pose a notorious challenge for state-of-the-art methods in the contexts of optimization, designing experiments and modeling unknown physical response. This problem is aggravated by limited availability of clean data, uncertainty in available physics-based models and additional logistic and computational expense associated with experiments. In such a scenario, Bayesian methods have played an impactful role in alleviating the aforementioned obstacles by quantifying uncertainty of different types under limited resources. These methods, usually deployed as a fram…
Global Blood Therapeutics（Global Blood Therapeutics（全球血液治疗公司））
The approval success rate of drug candidates is very low with the majority of failure due to safety and efficacy. Increasingly available high dimensional information on targets, drug molecules and indications provides an opportunity for ML methods to integrate multiple data modalities and better predict clinically promising drug targets. Notably, drug targets with human genetics evidence are shown to have better odds to succeed. However, a recent tensor factorization-based approach found that additional information on targets and indications might not necessarily improve the predictive accurac…
