arXiv subjects

Shandian Zhe

Publications and source records attributed to Shandian Zhe.

69 records · Page 4Linked to original sources

arXiv2021

Deep Multi-Fidelity Active Learning of High-dimensional Outputs

Many applications, such as in physical simulation and engineering design, demand we estimate functions with high-dimensional outputs. The training examples can be collected with different fidelities to allow a cost/accuracy trade-off. In this paper, we consider the active learning task that identifies both the fidelity and input to query new training examples so as to achieve the best benefit-cost ratio. To this end, we propose DMFAL, a Deep Multi-Fidelity Active Learning approach. We first develop a deep neural network-based multi-fidelity model for learning with high-dimensional outputs, which can flexibly, efficiently capture all kinds of complex relationships across the outputs and fidelities to improve prediction. We then propose a mutual information-based acquisition function that extends the predictive entropy principle. To overcome the computational challenges caused by large output dimensions, we use multi-variate Delta's method and moment-matching to estimate the output posterior, and Weinstein-Aronszajn identity to calculate and optimize the acquisition function. The computation is tractable, reliable and efficient. We show the advantage of our method in several applications of computational physics and engineering design.

cs.LG↗

arXiv2021

Batch Multi-Fidelity Bayesian Optimization with Deep Auto-Regressive Networks

Bayesian optimization (BO) is a powerful approach for optimizing black-box, expensive-to-evaluate functions. To enable a flexible trade-off between the cost and accuracy, many applications allow the function to be evaluated at different fidelities. In order to reduce the optimization cost while maximizing the benefit-cost ratio, in this paper, we propose Batch Multi-fidelity Bayesian Optimization with Deep Auto-Regressive Networks (BMBO-DARN). We use a set of Bayesian neural networks to construct a fully auto-regressive model, which is expressive enough to capture strong yet complex relationships across all the fidelities, so as to improve the surrogate learning and optimization performance. Furthermore, to enhance the quality and diversity of queries, we develop a simple yet efficient batch querying method, without any combinatorial search over the fidelities. We propose a batch acquisition function based on Max-value Entropy Search (MES) principle, which penalizes highly correlated queries and encourages diversity. We use posterior samples and moment matching to fulfill efficient computation of the acquisition function and conduct alternating optimization over every fidelity-input pair, which guarantees an improvement at each step. We demonstrate the advantage of our approach on four real-world hyperparameter optimization applications.

cs.LG↗

arXiv2020

Block-term Tensor Neural Networks

Deep neural networks (DNNs) have achieved outstanding performance in a wide range of applications, e.g., image classification, natural language processing, etc. Despite the good performance, the huge number of parameters in DNNs brings challenges to efficient training of DNNs and also their deployment in low-end devices with limited computing resources. In this paper, we explore the correlations in the weight matrices, and approximate the weight matrices with the low-rank block-term tensors. We name the new corresponding structure as block-term tensor layers (BT-layers), which can be easily adapted to neural network models, such as CNNs and RNNs. In particular, the inputs and the outputs in BT-layers are reshaped into low-dimensional high-order tensors with a similar or improved representation power. Sufficient experiments have demonstrated that BT-layers in CNNs and RNNs can achieve a very large compression ratio on the number of parameters while preserving or improving the representation power of the original DNNs.

cs.LG↗

arXiv2020

Multi-Fidelity Bayesian Optimization via Deep Neural Networks

Bayesian optimization (BO) is a popular framework to optimize black-box functions. In many applications, the objective function can be evaluated at multiple fidelities to enable a trade-off between the cost and accuracy. To reduce the optimization cost, many multi-fidelity BO methods have been proposed. Despite their success, these methods either ignore or over-simplify the strong, complex correlations across the fidelities, and hence can be inefficient in estimating the objective function. To address this issue, we propose Deep Neural Network Multi-Fidelity Bayesian Optimization (DNN-MFBO) that can flexibly capture all kinds of complicated relationships between the fidelities to improve the objective function estimation and hence the optimization performance. We use sequential, fidelity-wise Gauss-Hermite quadrature and moment-matching to fulfill a mutual information-based acquisition function, which is computationally tractable and efficient. We show the advantages of our method in both synthetic benchmark datasets and real-world applications in engineering design.

cs.LG↗

arXiv2020

Streaming Probabilistic Deep Tensor Factorization

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 model. We assign a spike-and-slab prior over the NN weights to encourage sparsity and prevent overfitting. We then use Taylor expansions and moment matching to approximate the posterior of the NN output and calculate the running model evidence, based on which we develop an efficient streaming posterior inference algorithm in the assumed-density-filtering and expectation propagation framework. Our algorithm provides responsive incremental updates for the posterior of the latent factors and NN weights upon receiving new tensor entries, and meanwhile select and inhibit redundant/useless weights. We show the advantages of our approach in four real-world applications.

cs.LG↗

arXiv2020

Multi-Fidelity High-Order Gaussian Processes for Physical Simulation

The key task of physical simulation is to solve partial differential equations (PDEs) on discretized domains, which is known to be costly. In particular, high-fidelity solutions are much more expensive than low-fidelity ones. To reduce the cost, we consider novel Gaussian process (GP) models that leverage simulation examples of different fidelities to predict high-dimensional PDE solution outputs. Existing GP methods are either not scalable to high-dimensional outputs or lack effective strategies to integrate multi-fidelity examples. To address these issues, we propose Multi-Fidelity High-Order Gaussian Process (MFHoGP) that can capture complex correlations both between the outputs and between the fidelities to enhance solution estimation, and scale to large numbers of outputs. Based on a novel nonlinear coregionalization model, MFHoGP propagates bases throughout fidelities to fuse information, and places a deep matrix GP prior over the basis weights to capture the (nonlinear) relationships across the fidelities. To improve inference efficiency and quality, we use bases decomposition to largely reduce the model parameters, and layer-wise matrix Gaussian posteriors to capture the posterior dependency and to simplify the computation. Our stochastic variational learning algorithm successfully handles millions of outputs without extra sparse approximations. We show the advantages of our method in several typical applications.

stat.ML↗

arXiv2020

Scalable Variational Gaussian Process Regression Networks

Gaussian process regression networks (GPRN) are powerful Bayesian models for multi-output regression, but their inference is intractable. To address this issue, existing methods use a fully factorized structure (or a mixture of such structures) over all the outputs and latent functions for posterior approximation, which, however, can miss the strong posterior dependencies among the latent variables and hurt the inference quality. In addition, the updates of the variational parameters are inefficient and can be prohibitively expensive for a large number of outputs. To overcome these limitations, we propose a scalable variational inference algorithm for GPRN, which not only captures the abundant posterior dependencies but also is much more efficient for massive outputs. We tensorize the output space and introduce tensor/matrix-normal variational posteriors to capture the posterior correlations and to reduce the parameters. We jointly optimize all the parameters and exploit the inherent Kronecker product structure in the variational model evidence lower bound to accelerate the computation. We demonstrate the advantages of our method in several real-world applications.

cs.LG↗

arXiv2020

Macroscopic Traffic Flow Modeling with Physics Regularized Gaussian Process: A New Insight into Machine Learning Applications

Despite the wide implementation of machine learning (ML) techniques in traffic flow modeling recently, those data-driven approaches often fall short of accuracy in the cases with a small or noisy dataset. To address this issue, this study presents a new modeling framework, named physics regularized machine learning (PRML), to encode classical traffic flow models (referred as physical models) into the ML architecture and to regularize the ML training process. More specifically, a stochastic physics regularized Gaussian process (PRGP) model is developed and a Bayesian inference algorithm is used to estimate the mean and kernel of the PRGP. A physical regularizer based on macroscopic traffic flow models is also developed to augment the estimation via a shadow GP and an enhanced latent force model is used to encode physical knowledge into stochastic processes. Based on the posterior regularization inference framework, an efficient stochastic optimization algorithm is also developed to maximize the evidence lowerbound of the system likelihood. To prove the effectiveness of the proposed model, this paper conducts empirical studies on a real-world dataset which is collected from a stretch of I-15 freeway, Utah. Results show the new PRGP model can outperform the previous compatible methods, such as calibrated pure physical models and pure machine learning methods, in estimation precision and input robustness.

stat.ML↗

arXiv2019

Conditional Expectation Propagation

Expectation propagation (EP) is a powerful approximate inference algorithm. However, a critical barrier in applying EP is that the moment matching in message updates can be intractable. Handcrafting approximations is usually tricky, and lacks generalizability. Importance sampling is very expensive. While Laplace propagation provides a good solution, it has to run numerical optimizations to find Laplace approximations in every update, which is still quite inefficient. To overcome these practical barriers, we propose conditional expectation propagation (CEP) that performs conditional moment matching given the variables outside each message, and then takes expectation w.r.t the approximate posterior of these variables. The conditional moments are often analytical and much easier to derive. In the most general case, we can use (fully) factorized messages to represent the conditional moments by quadrature formulas. We then compute the expectation of the conditional moments via Taylor approximations when necessary. In this way, our algorithm can always conduct efficient, analytical fixed point iterations. Experiments on several popular models for which standard EP is available or unavailable demonstrate the advantages of CEP in both inference quality and computational efficiency.

stat.ML↗

arXiv2019

Deep Coregionalization for the Emulation of Spatial-Temporal Fields

Data-driven surrogate models are widely used for applications such as design optimization and uncertainty quantification, where repeated evaluations of an expensive simulator are required. For most partial differential equation (PDE) simulators, the outputs of interest are often spatial or spatial-temporal fields, leading to very high-dimensional outputs. Despite the success of existing data-driven surrogates for high-dimensional outputs, most methods require a significant number of samples to cover the response surface in order to achieve a reasonable degree of accuracy. This demand makes the idea of surrogate models less attractive considering the high computational cost to generate the data. To address this issue, we exploit the multi-fidelity nature of a PDE simulator and introduce deep coregionalization, a Bayesian non-parametric autoregressive framework for efficient emulation of spatial-temporal fields. To effectively extract the output correlations in the context of multi-fidelity data, we develop a novel dimension reduction technique, residual principal component analysis. Our model can simultaneously capture the rich output correlations and the fidelity correlations and make high-fidelity predictions with only a few expensive, high-fidelity simulation samples. We show the advantages of our model in three canonical PDE models and a fluid dynamics problem. The results show that the proposed method cannot only approximate a simulator with significantly less cost (at bout 10%-25%) but also further improve model accuracy.

physics.comp-ph↗

arXiv2018

Learning Compact Recurrent Neural Networks with Block-Term Tensor Decomposition

Recurrent Neural Networks (RNNs) are powerful sequence modeling tools. However, when dealing with high dimensional inputs, the training of RNNs becomes computational expensive due to the large number of model parameters. This hinders RNNs from solving many important computer vision tasks, such as Action Recognition in Videos and Image Captioning. To overcome this problem, we propose a compact and flexible structure, namely Block-Term tensor decomposition, which greatly reduces the parameters of RNNs and improves their training efficiency. Compared with alternative low-rank approximations, such as tensor-train RNN (TT-RNN), our method, Block-Term RNN (BT-RNN), is not only more concise (when using the same rank), but also able to attain a better approximation to the original RNNs with much fewer parameters. On three challenging tasks, including Action Recognition in Videos, Image Captioning and Image Generation, BT-RNN outperforms TT-RNN and the standard RNN in terms of both prediction accuracy and convergence rate. Specifically, BT-LSTM utilizes 17,388 times fewer parameters than the standard LSTM to achieve an accuracy improvement over 15.6\% in the Action Recognition task on the UCF11 dataset.

cs.LG↗

arXiv2017

Asynchronous Distributed Variational Gaussian Processes for Regression

Gaussian processes (GPs) are powerful non-parametric function estimators. However, their applications are largely limited by the expensive computational cost of the inference procedures. Existing stochastic or distributed synchronous variational inferences, although have alleviated this issue by scaling up GPs to millions of samples, are still far from satisfactory for real-world large applications, where the data sizes are often orders of magnitudes larger, say, billions. To solve this problem, we propose ADVGP, the first Asynchronous Distributed Variational Gaussian Process inference for regression, on the recent large-scale machine learning platform, PARAMETERSERVER. ADVGP uses a novel, flexible variational framework based on a weight space augmentation, and implements the highly efficient, asynchronous proximal gradient optimization. While maintaining comparable or better predictive performance, ADVGP greatly improves upon the efficiency of the existing variational methods. With ADVGP, we effortlessly scale up GP regression to a real-world application with billions of samples and demonstrate an excellent, superior prediction accuracy to the popular linear models.

stat.ML↗

arXiv2016

Distributed Flexible Nonlinear Tensor Factorization

Tensor factorization is a powerful tool to analyse multi-way data. Compared with traditional multi-linear methods, nonlinear tensor factorization models are capable of capturing more complex relationships in the data. However, they are computationally expensive and may suffer severe learning bias in case of extreme data sparsity. To overcome these limitations, in this paper we propose a distributed, flexible nonlinear tensor factorization model. Our model can effectively avoid the expensive computations and structural restrictions of the Kronecker-product in existing TGP formulations, allowing an arbitrary subset of tensorial entries to be selected to contribute to the training. At the same time, we derive a tractable and tight variational evidence lower bound (ELBO) that enables highly decoupled, parallel computations and high-quality inference. Based on the new bound, we develop a distributed inference algorithm in the MapReduce framework, which is key-value-free and can fully exploit the memory cache mechanism in fast MapReduce systems such as SPARK. Experimental results fully demonstrate the advantages of our method over several state-of-the-art approaches, in terms of both predictive performance and computational efficiency. Moreover, our approach shows a promising potential in the application of Click-Through-Rate (CTR) prediction for online advertising.

cs.LG↗

arXiv2014

DinTucker: Scaling up Gaussian process models on multidimensional arrays with billions of elements

Infinite Tucker Decomposition (InfTucker) and random function prior models, as nonparametric Bayesian models on infinite exchangeable arrays, are more powerful models than widely-used multilinear factorization methods including Tucker and PARAFAC decomposition, (partly) due to their capability of modeling nonlinear relationships between array elements. Despite their great predictive performance and sound theoretical foundations, they cannot handle massive data due to a prohibitively high training time. To overcome this limitation, we present Distributed Infinite Tucker (DINTUCKER), a large-scale nonlinear tensor decomposition algorithm on MAPREDUCE. While maintaining the predictive accuracy of InfTucker, it is scalable on massive data. DINTUCKER is based on a new hierarchical Bayesian model that enables local training of InfTucker on subarrays and information integration from all local training results. We use distributed stochastic gradient descent, coupled with variational inference, to train this model. We apply DINTUCKER to multidimensional arrays with billions of elements from applications in the "Read the Web" project (Carlson et al., 2010) and in information security and compare it with the state-of-the-art large-scale tensor decomposition method, GigaTensor. On both datasets, DINTUCKER achieves significantly higher prediction accuracy with less computational time.

cs.LG↗

arXiv2013

Supervised Heterogeneous Multiview Learning for Joint Association Study and Disease Diagnosis

Given genetic variations and various phenotypical traits, such as Magnetic Resonance Imaging (MRI) features, we consider two important and related tasks in biomedical research: i)to select genetic and phenotypical markers for disease diagnosis and ii) to identify associations between genetic and phenotypical data. These two tasks are tightly coupled because underlying associations between genetic variations and phenotypical features contain the biological basis for a disease. While a variety of sparse models have been applied for disease diagnosis and canonical correlation analysis and its extensions have bee widely used in association studies (e.g., eQTL analysis), these two tasks have been treated separately. To unify these two tasks, we present a new sparse Bayesian approach for joint association study and disease diagnosis. In this approach, common latent features are extracted from different data sources based on sparse projection matrices and used to predict multiple disease severity levels based on Gaussian process ordinal regression; in return, the disease status is used to guide the discovery of relationships between the data sources. The sparse projection matrices not only reveal interactions between data sources but also select groups of biomarkers related to the disease. To learn the model from data, we develop an efficient variational expectation maximization algorithm. Simulation results demonstrate that our approach achieves higher accuracy in both predicting ordinal labels and discovering associations between data sources than alternative methods. We apply our approach to an imaging genetics dataset for the study of Alzheimer's Disease (AD). Our method identifies biologically meaningful relationships between genetic variations, MRI features, and AD status, and achieves significantly higher accuracy for predicting ordinal AD stages than the competing methods.

cs.LG↗