Bayesian optimization is a broadly applied methodology to optimize the expensive black-box function. Despite its success, it still faces the challenge from the high-dimensional search space. To alleviate this problem, we propose a novel Bayesian optimization framework (termed SILBO), which finds a low-dimensional space to perform Bayesian optimization iteratively through semi-supervised dimension reduction. SILBO incorporates both labeled points and unlabeled points acquired from the acquisition function to guide the embedding space learning. To accelerate the learning procedure, we present a randomized method for generating the projection matrix. Furthermore, to map from the low-dimensional space to the high-dimensional original space, we propose two mapping strategies: $\text{SILBO}_{FZ}$ and $\text{SILBO}_{FX}$ according to the evaluation overhead of the objective function. Experimental results on both synthetic function and hyperparameter optimization tasks demonstrate that SILBO outperforms the existing state-of-the-art high-dimensional Bayesian optimization methods.
Universidad Carlos III de Madrid（马德里卡洛斯三世大学）；Gregorio Marañón Health Research Institute（格雷戈里奥·马拉尼翁健康研究所）
The Bayesian approach to feature extraction, known as factor analysis (FA), has been widely studied in machine learning to obtain a latent representation of the data. An adequate selection of the probabilities and priors of these bayesian models allows the model to better adapt to the data nature (i.e. heterogeneity, sparsity), obtaining a more representative latent space. The objective of this article is to propose a general FA framework capable of modelling any problem. To do so, we start from the Bayesian Inter-Battery Factor Analysis (BIBFA) model, enhancing it with new functionalities to …
Beijing Institute of Technology（北京理工大学）；University of Technology Sydney（悉尼科技大学）
Bayesian optimization (BO) has been broadly applied to computational expensive problems, but it is still challenging to extend BO to high dimensions. Existing works are usually under strict assumption of an additive or a linear embedding structure for objective functions. This paper directly introduces a supervised dimension reduction method, Sliced Inverse Regression (SIR), to high dimensional Bayesian optimization, which could effectively learn the intrinsic sub-structure of objective function during the optimization. Furthermore, a kernel trick is developed to reduce computational complexit…
Given a set of possible models (e.g., Bayesian network structures) and a data sample, in the unsupervised model selection problem the task is to choose the most accurate model with respect to the domain joint probability distribution. In contrast to this, in supervised model selection it is a priori known that the chosen model will be used in the future for prediction tasks involving more ``focused' predictive distributions. Although focused predictive distributions can be produced from the joint probability distribution by marginalization, in practice the best model in the unsupervised sense …
Given a supervised machine learning problem where the training set has been subject to a known sampling bias, how can a model be trained to fit the original dataset? We achieve this through the Bayesian inference framework by altering the posterior distribution to account for the sampling function. We then apply this solution to binary logistic regression, and discuss scenarios where a dataset might be subject to intentional sample bias such as label imbalance. This technique is widely applicable for statistical inference on big data, from the medical sciences to image recognition to marketing…
Virtual screening aims to find desirable compounds from chemical library by using computational methods. For this purpose with machine learning, model outputs that can be interpreted as predictive probability will be beneficial, in that a high prediction score corresponds to high probability of correctness. In this work, we present a study on the prediction performance and reliability of graph neural networks trained with the recently proposed Bayesian learning algorithms. Our work shows that Bayesian learning algorithms allow well-calibrated predictions for various GNN architectures and class…
Institute of Automation, Chinese Academy of Sciences（中国科学院自动化研究所）；Shanghai Jiao Tong University（上海交通大学）
In emotion recognition, it is difficult to recognize human's emotional states using just a single modality. Besides, the annotation of physiological emotional data is particularly expensive. These two aspects make the building of effective emotion recognition model challenging. In this paper, we first build a multi-view deep generative model to simulate the generative process of multi-modality emotional data. By imposing a mixture of Gaussians assumption on the posterior approximation of the latent variables, our model can learn the shared deep representation from multiple modalities. To solve…
The University of Adelaide（阿德莱德大学）；Queensland University of Technology（昆士兰科技大学）；CMU（卡内基梅隆大学）
Traditional GANs use a deterministic generator function (typically a neural network) to transform a random noise input $z$ to a sample $\mathbf{x}$ that the discriminator seeks to distinguish. We propose a new GAN called Bayesian Conditional Generative Adversarial Networks (BC-GANs) that use a random generator function to transform a deterministic input $y'$ to a sample $\mathbf{x}$. Our BC-GANs extend traditional GANs to a Bayesian framework, and naturally handle unsupervised learning, supervised learning, and semi-supervised learning problems. Experiments show that the proposed BC-GANs outpe…
Self-Supervised Laplace Approximation for Bayesian Uncertainty Quantification
Rational Intelligence Lab, CISPA Helmholtz Center for Information Security Department of Statistics, LMU Munich（理性智能实验室，CISPA海德堡信息安全中心统计学系，慕尼黑大学）；Department of Statistics, LMU Munich（统计学系，慕尼黑大学）；Department of Computer Science, The University of Manchester（计算机科学系，曼彻斯特大学）
Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus on mean accuracy as the main metric. However, to replace costly and mission-critical experiments by models, a high mean accuracy is not enough: Outliers can derail a discovery campaign, thus models need reliably predict when it will fail, even when the training data is biased; experiments are expensive, thus models need to be data-efficient and suggest informative training sets using active learning. We show that un…
School of Engineering, University of Warwick, UK（华威大学工程学院，英国）；Warwick Center for Predictive Modelling, University of Warwick, UK（华威大学预测建模中心，英国）；Department of Statistics, University of Warwick, UK（华威大学统计系，英国）；Division of Translational Medicine, Warwick Medical School, UK（华威医学院转化医学部，英国）；Dept of Clinical Biochemistry, Division of Pathology, University Hospital Coventry and Warwickshire, Coventry, UK（考文垂和华威郡大学医院病理学部临床生物化学系，考文垂，英国）
We introduce a Bayesian framework for inference with a supervised version of the Gaussian process latent variable model. The framework overcomes the high correlations between latent variables and hyperparameters by using an unbiased pseudo estimate for the marginal likelihood that approximately integrates over the latent variables. This is used to construct a Markov Chain to explore the posterior of the hyperparameters. We demonstrate the procedure on simulated and real examples, showing its ability to capture uncertainty and multimodality of the hyperparameters and improved uncertainty quanti…
University College London（伦敦大学学院）；The Alan Turing Institute（艾伦·图灵研究所）
We propose a data-efficient Gaussian process-based Bayesian approach to the semi-supervised learning problem on graphs. The proposed model shows extremely competitive performance when compared to the state-of-the-art graph neural networks on semi-supervised learning benchmark experiments, and outperforms the neural networks in active learning experiments where labels are scarce. Furthermore, the model does not require a validation data set for early stopping to control over-fitting. Our model can be viewed as an instance of empirical distribution regression weighted locally by network connecti…
Although deep neural network (DNN) has achieved many state-of-the-art results, estimating the uncertainty presented in the DNN model and the data is a challenging task. Problems related to uncertainty such as classifying unknown classes (class which does not appear in the training data) data as known class with high confidence, is critically concerned in the safety domain area (e.g, autonomous driving, medical diagnosis). In this paper, we show that applying current Bayesian Neural Network (BNN) techniques alone does not effectively capture the uncertainty. To tackle this problem, we introduce…
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…
Semi-supervised clustering is the task of clustering data points into clusters where only a fraction of the points are labelled. The true number of clusters in the data is often unknown and most models require this parameter as an input. Dirichlet process mixture models are appealing as they can infer the number of clusters from the data. However, these models do not deal with high dimensional data well and can encounter difficulties in inference. We present a novel nonparameteric Bayesian kernel based method to cluster data points without the need to prespecify the number of clusters or to mo…
Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the performance has been impressive, the current implementations have limited capability to incorporate uncertainty in the graph structure. Almost all GCNNs process a graph as though it is a ground-truth depiction of the relationship between nodes, but often the graphs employed in applications are themselves derived from noisy data or modelling assumptions. Spuri…
University of Ljubljana（卢布尔雅那大学）；West University of Timisoara（蒂米什瓦拉西部大学）
Human annotations are an important source of information in the development of natural language understanding approaches. As under the pressure of productivity annotators can assign different labels to a given text, the quality of produced annotations frequently varies. This is especially the case if decisions are difficult, with high cognitive load, requires awareness of broader context, or careful consideration of background knowledge. To alleviate the problem, we propose two semi-supervised methods to guide the annotation process: a Bayesian deep learning model and a Bayesian ensemble metho…
Large amounts of labeled data are typically required to train deep learning models. For many real-world problems, however, acquiring additional data can be expensive or even impossible. We present semi-supervised deep kernel learning (SSDKL), a semi-supervised regression model based on minimizing predictive variance in the posterior regularization framework. SSDKL combines the hierarchical representation learning of neural networks with the probabilistic modeling capabilities of Gaussian processes. By leveraging unlabeled data, we show improvements on a diverse set of real-world regression tas…
University of Toulouse, IRIT/INP-ENSEEIHT（图卢兹大学 IRIT/INP-ENSEEIHT）
Within a supervised classification framework, labeled data are used to learn classifier parameters. Prior to that, it is generally required to perform dimensionality reduction via feature extraction. These preprocessing steps have motivated numerous research works aiming at recovering latent variables in an unsupervised context. This paper proposes a unified framework to perform classification and low-level modeling jointly. The main objective is to use the estimated latent variables as features for classification and to incorporate simultaneously supervised information to help latent variable…
Technical University of Munich（慕尼黑工业大学）；University of Pennsylvania（宾夕法尼亚大学）；Munich Data Science Institute（慕尼黑数据科学研究所）
Neural Operators offer a powerful, data-driven tool for solving parametric PDEs as they can represent maps between infinite-dimensional function spaces. In this work, we employ physics-informed Neural Operators in the context of high-dimensional, Bayesian inverse problems. Traditional solution strategies necessitate an enormous, and frequently infeasible, number of forward model solves, as well as the computation of parametric derivatives. In order to enable efficient solutions, we extend Deep Operator Networks (DeepONets) by employing a RealNVP architecture which yields an invertible and diff…
Hierarchical probabilistic models, such as Gaussian mixture models, are widely used for unsupervised learning tasks. These models consist of observable and latent variables, which represent the observable data and the underlying data-generation process, respectively. Unsupervised learning tasks, such as cluster analysis, are regarded as estimations of latent variables based on the observable ones. The estimation of latent variables in semi-supervised learning, where some labels are observed, will be more precise than that in unsupervised, and one of the concerns is to clarify the effect of the…
We study the accuracy of Bayesian supervised method used to cluster individuals into genetically homogeneous groups on the basis of dominant or codominant molecular markers. We provide a formula relating an error criterion the number of loci used and the number of clusters. This formula is exact and holds for arbitrary number of clusters and markers. Our work suggests that dominant markers studies can achieve an accuracy similar to that of codominant markers studies if the number of markers used in the former is about 1.7 times larger than in the latter.
We introduce semiparametric Bayesian networks that combine parametric and nonparametric conditional probability distributions. Their aim is to incorporate the advantages of both components: the bounded complexity of parametric models and the flexibility of nonparametric ones. We demonstrate that semiparametric Bayesian networks generalize two well-known types of Bayesian networks: Gaussian Bayesian networks and kernel density estimation Bayesian networks. For this purpose, we consider two different conditional probability distributions required in a semiparametric Bayesian network. In addition…
Uber AI Labs（Uber人工智能实验室）；Cornell University（康奈尔大学）
Generative adversarial networks (GANs) can implicitly learn rich distributions over images, audio, and data which are hard to model with an explicit likelihood. We present a practical Bayesian formulation for unsupervised and semi-supervised learning with GANs. Within this framework, we use stochastic gradient Hamiltonian Monte Carlo to marginalize the weights of the generator and discriminator networks. The resulting approach is straightforward and obtains good performance without any standard interventions such as feature matching, or mini-batch discrimination. By exploring an expressive pos…
Crowdsourcing has emerged as a powerful paradigm for efficiently labeling large datasets and performing various learning tasks, by leveraging crowds of human annotators. When additional information is available about the data, semi-supervised crowdsourcing approaches that enhance the aggregation of labels from human annotators are well motivated. This work deals with semi-supervised crowdsourced classification, under two regimes of semi-supervision: a) label constraints, that provide ground-truth labels for a subset of data; and b) potentially easier to obtain instance-level constraints, that …
Zhejiang University（浙江大学）；Zhejiang University - University of Illinois at Urbana-Champaign Institute（浙江大学伊利诺伊大学厄巴纳香槟校区联合学院）
Class imbalance has a detrimental effect on the predictive performance of most supervised learning algorithms as the imbalanced distribution can lead to a bias preferring the majority class. To solve this problem, we propose a Supervised Contrastive Learning (SCL) method with Tree-structured Parzen Estimator (TPE) technique for imbalanced tabular datasets. Contrastive learning (CL) can extract the information hidden in data even without labels and has shown some potential for imbalanced learning tasks. SCL further considers the label information based on CL, which also addresses the insufficie…
Causal inference using observational text data is becoming increasingly popular in many research areas. This paper presents the Bayesian Topic Regression (BTR) model that uses both text and numerical information to model an outcome variable. It allows estimation of both discrete and continuous treatment effects. Furthermore, it allows for the inclusion of additional numerical confounding factors next to text data. To this end, we combine a supervised Bayesian topic model with a Bayesian regression framework and perform supervised representation learning for the text features jointly with the r…
Land cover maps are a vital input variable to many types of environmental research and management. While they can be produced automatically by machine learning techniques, these techniques require substantial training data to achieve high levels of accuracy, which are not always available. One technique researchers use when labelled training data are scarce is domain adaptation (DA) -- where data from an alternate region, known as the source domain, are used to train a classifier and this model is adapted to map the study region, or target domain. The scenario we address in this paper is known…
Neural network based generative models with discriminative components are a powerful approach for semi-supervised learning. However, these techniques a) cannot account for model uncertainty in the estimation of the model's discriminative component and b) lack flexibility to capture complex stochastic patterns in the label generation process. To avoid these problems, we first propose to use a discriminative component with stochastic inputs for increased noise flexibility. We show how an efficient Gibbs sampling procedure can marginalize the stochastic inputs when inferring missing labels in thi…
This work tackles the problem of semi-supervised learning of image classifiers. Our main insight is that the field of semi-supervised learning can benefit from the quickly advancing field of self-supervised visual representation learning. Unifying these two approaches, we propose the framework of self-supervised semi-supervised learning and use it to derive two novel semi-supervised image classification methods. We demonstrate the effectiveness of these methods in comparison to both carefully tuned baselines, and existing semi-supervised learning methods. We then show that our approach and exi…
We present a plug-in replacement for batch normalization (BN) called exponential moving average normalization (EMAN), which improves the performance of existing student-teacher based self- and semi-supervised learning techniques. Unlike the standard BN, where the statistics are computed within each batch, EMAN, used in the teacher, updates its statistics by exponential moving average from the BN statistics of the student. This design reduces the intrinsic cross-sample dependency of BN and enhances the generalization of the teacher. EMAN improves strong baselines for self-supervised learning by…
Supervised Bayesian joint graphical model for simultaneous network estimation and subgroup identification
School of Statistics and Data Science, Shanghai University of International Business and Economics（上海对外经贸大学统计与数据科学学院）；School of Statistics and Data Science, Shanghai University of Finance and Economics（上海财经大学统计与数据科学学院）；Department of Biostatistics, Yale School of Public Health（耶鲁公共卫生学院生物统计学系）
University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；US Army Research Laboratory（美国陆军研究实验室）
This paper presents a semi-supervised learning framework that is new in being designed for automatic modulation classification (AMC). By carefully utilizing unlabeled signal data with a self-supervised contrastive-learning pre-training step, our framework achieves higher performance given smaller amounts of labeled data, thereby largely reducing the labeling burden of deep learning. We evaluate the performance of our semi-supervised framework on a public dataset. The evaluation results demonstrate that our semi-supervised approach significantly outperforms supervised frameworks thereby substan…
Consistency regularization describes a class of approaches that have yielded state-of-the-art results for semi-supervised classification. While semi-supervised semantic segmentation proved to be more challenging, a number of successful approaches have been recently proposed. Recent work explored the challenges involved in using consistency regularization for segmentation problems. In their self-supervised work Chen et al. found that colour augmentation prevents a classification network from using image colour statistics as a short-cut for self-supervised learning via instance discrimination. D…
Understanding sub-cellular protein localisation is an essential component to analyse context specific protein function. Recent advances in quantitative mass-spectrometry (MS) have led to high resolution mapping of thousands of proteins to sub-cellular locations within the cell. Novel modelling considerations to capture the complex nature of these data are thus necessary. We approach analysis of spatial proteomics data in a non-parametric Bayesian framework, using mixtures of Gaussian process regression models. The Gaussian process regression model accounts for correlation structure within a su…
University of Bonn（波恩大学）；CUHK Business School, Chinese University of Hong Kong（香港中文大学商学院）；Graduate School of Economics, University of Osaka（大阪大学经济学研究科）
This paper introduces SelfMatch, a semi-supervised learning method that combines the power of contrastive self-supervised learning and consistency regularization. SelfMatch consists of two stages: (1) self-supervised pre-training based on contrastive learning and (2) semi-supervised fine-tuning based on augmentation consistency regularization. We empirically demonstrate that SelfMatch achieves the state-of-the-art results on standard benchmark datasets such as CIFAR-10 and SVHN. For example, for CIFAR-10 with 40 labeled examples, SelfMatch achieves 93.19% accuracy that outperforms the strong p…
The literature on Bayesian methods for the analysis of discrete-time semi-Markov processes is sparse. In this paper, we introduce the semi-Markov beta-Stacy process, a stochastic process useful for the Bayesian non-parametric analysis of semi-Markov processes. The semi-Markov beta-Stacy process is conjugate with respect to data generated by a semi-Markov process, a property which makes it easy to obtain probabilistic forecasts. Its predictive distributions are characterized by a reinforced random walk on a system of urns.
EEG-based emotion recognition often requires sufficient labeled training samples to build an effective computational model. Labeling EEG data, on the other hand, is often expensive and time-consuming. To tackle this problem and reduce the need for output labels in the context of EEG-based emotion recognition, we propose a semi-supervised pipeline to jointly exploit both unlabeled and labeled data for learning EEG representations. Our semi-supervised framework consists of both unsupervised and supervised components. The unsupervised part maximizes the consistency between original and reconstruc…
We undertake Bayesian learning of the high-dimensional functional relationship between a system parameter vector and an observable, that is in general tensor-valued. The ultimate aim is Bayesian inverse prediction of the system parameters, at which test data is recorded. We attempt such learning given hypercuboidally-shaped data that displays strong discontinuities, rendering learning challenging. We model the sought high-dimensional function, with a tensor-variate Gaussian Process (GP), and use three independent ways for learning covariance matrices of the resulting likelihood, which is Tenso…
There is much interest in the Hierarchical Dirichlet Process Hidden Markov Model (HDP-HMM) as a natural Bayesian nonparametric extension of the ubiquitous Hidden Markov Model for learning from sequential and time-series data. However, in many settings the HDP-HMM's strict Markovian constraints are undesirable, particularly if we wish to learn or encode non-geometric state durations. We can extend the HDP-HMM to capture such structure by drawing upon explicit-duration semi-Markovianity, which has been developed mainly in the parametric frequentist setting, to allow construction of highly interp…
In this paper we extend existing Bayesian methods for variable selection in Gaussian process regression, to select both the regression terms and the active covariates in the spatial correlation structure. We then use the estimated posterior probabilities to choose between relatively few modes through cross-validation, and consequently improve prediction.
When the target variable exhibits a semicontinuous behaviour (i.e. a point mass in a single value and a continuous distribution elsewhere) parametric `two-part regression models' have been extensively used and investigated. In this paper, a semiparametric Bayesian two-part regression model for dealing with such variables is proposed. The model allows a semiparametric expression for the two part of the model by using Dirichlet processes. A motivating example (in the `small area estimation' framework) based on pseudo-real data on grapewine production in Tuscany, is used to evaluate the capabilit…
Typical Bayesian inference requires parameter identification via likelihood parameterization, which has invited criticism for being less flexible than the Frequentist framework and subject to misspecification. Though misspecification may be avoided by functional parameter inference under a nonparametric model space, there does not exist a flexible Bayesian semiparametric model that would allow full control over the marginal prior over any general functional parameter. We present the technique of $θ$-augmentation which helps us manipulate nonparametric models into semiparametric ones that direc…
Bayesian synthetic likelihood (BSL) is a popular method for performing approximate Bayesian inference when the likelihood function is intractable. In synthetic likelihood methods, the likelihood function is approximated parametrically via model simulations, and then standard likelihood-based techniques are used to perform inference. The Gaussian synthetic likelihood estimator has become ubiquitous in BSL literature, primarily for its simplicity and ease of implementation. However, it is often too restrictive and may lead to poor posterior approximations. Recently, a more flexible semi-parametr…
In this paper, a Bayesian semiparametric copula approach is used to model the underlying multivariate distribution $F_{true}$. First, the Dirichlet process is constructed on the unknown marginal distributions of $F_{true}$. Then a Gaussian copula model is utilized to capture the dependence structure of $F_{true}$. As a result, a Bayesian multivariate normality test is developed by combining the relative belief ratio and the Energy distance. Several interesting theoretical results of the approach are derived. Finally, through several simulated examples and a real data set, the proposed approach…
We propose a Bayesian semiparametric approach for registration of multiple point processes. Our approach entails modelling the mean measures of the phase-varying point processes with a Bernstein-Dirichlet prior, which induces a prior on the space of all warp functions. Theoretical results on the support of the induced priors are derived, and posterior consistency is obtained under mild conditions. Numerical experiments suggest a good performance of the proposed methods, and a climatology real-data example is used to showcase how the method can be employed in practice.
