arXiv subjects

Vu Nguyen

Publications and source records attributed to Vu Nguyen.

At least 55 records · Page 3Linked to original sources

arXiv2021

Hierarchical Indian Buffet Neural Networks for Bayesian Continual Learning

We place an Indian Buffet process (IBP) prior over the structure of a Bayesian Neural Network (BNN), thus allowing the complexity of the BNN to increase and decrease automatically. We further extend this model such that the prior on the structure of each hidden layer is shared globally across all layers, using a Hierarchical-IBP (H-IBP). We apply this model to the problem of resource allocation in Continual Learning (CL) where new tasks occur and the network requires extra resources. Our model uses online variational inference with reparameterisation of the Bernoulli and Beta distributions, which constitute the IBP and H-IBP priors. As we automatically learn the number of weights in each layer of the BNN, overfitting and underfitting problems are largely overcome. We show empirically that our approach offers a competitive edge over existing methods in CL.

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arXiv2021

Tuning Mixed Input Hyperparameters on the Fly for Efficient Population Based AutoRL

Despite a series of recent successes in reinforcement learning (RL), many RL algorithms remain sensitive to hyperparameters. As such, there has recently been interest in the field of AutoRL, which seeks to automate design decisions to create more general algorithms. Recent work suggests that population based approaches may be effective AutoRL algorithms, by learning hyperparameter schedules on the fly. In particular, the PB2 algorithm is able to achieve strong performance in RL tasks by formulating online hyperparameter optimization as time varying GP-bandit problem, while also providing theoretical guarantees. However, PB2 is only designed to work for continuous hyperparameters, which severely limits its utility in practice. In this paper we introduce a new (provably) efficient hierarchical approach for optimizing both continuous and categorical variables, using a new time-varying bandit algorithm specifically designed for the population based training regime. We evaluate our approach on the challenging Procgen benchmark, where we show that explicitly modelling dependence between data augmentation and other hyperparameters improves generalization.

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arXiv2021

Optimal Transport Kernels for Sequential and Parallel Neural Architecture Search

Neural architecture search (NAS) automates the design of deep neural networks. One of the main challenges in searching complex and non-continuous architectures is to compare the similarity of networks that the conventional Euclidean metric may fail to capture. Optimal transport (OT) is resilient to such complex structure by considering the minimal cost for transporting a network into another. However, the OT is generally not negative definite which may limit its ability to build the positive-definite kernels required in many kernel-dependent frameworks. Building upon tree-Wasserstein (TW), which is a negative definite variant of OT, we develop a novel discrepancy for neural architectures, and demonstrate it within a Gaussian process surrogate model for the sequential NAS settings. Furthermore, we derive a novel parallel NAS, using quality k-determinantal point process on the GP posterior, to select diverse and high-performing architectures from a discrete set of candidates. Empirically, we demonstrate that our TW-based approaches outperform other baselines in both sequential and parallel NAS.

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arXiv2021

Think Global and Act Local: Bayesian Optimisation over High-Dimensional Categorical and Mixed Search Spaces

High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and categorical variables, remain challenging. We propose a novel solution -- we combine local optimisation with a tailored kernel design, effectively handling high-dimensional categorical and mixed search spaces, whilst retaining sample efficiency. We further derive convergence guarantee for the proposed approach. Finally, we demonstrate empirically that our method outperforms the current baselines on a variety of synthetic and real-world tasks in terms of performance, computational costs, or both.

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arXiv2021

Provably Efficient Online Hyperparameter Optimization with Population-Based Bandits

Many of the recent triumphs in machine learning are dependent on well-tuned hyperparameters. This is particularly prominent in reinforcement learning (RL) where a small change in the configuration can lead to failure. Despite the importance of tuning hyperparameters, it remains expensive and is often done in a naive and laborious way. A recent solution to this problem is Population Based Training (PBT) which updates both weights and hyperparameters in a single training run of a population of agents. PBT has been shown to be particularly effective in RL, leading to widespread use in the field. However, PBT lacks theoretical guarantees since it relies on random heuristics to explore the hyperparameter space. This inefficiency means it typically requires vast computational resources, which is prohibitive for many small and medium sized labs. In this work, we introduce the first provably efficient PBT-style algorithm, Population-Based Bandits (PB2). PB2 uses a probabilistic model to guide the search in an efficient way, making it possible to discover high performing hyperparameter configurations with far fewer agents than typically required by PBT. We show in a series of RL experiments that PB2 is able to achieve high performance with a modest computational budget.

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arXiv2021

Bayesian Optimization for Iterative Learning

The performance of deep (reinforcement) learning systems crucially depends on the choice of hyperparameters. Their tuning is notoriously expensive, typically requiring an iterative training process to run for numerous steps to convergence. Traditional tuning algorithms only consider the final performance of hyperparameters acquired after many expensive iterations and ignore intermediate information from earlier training steps. In this paper, we present a Bayesian optimization (BO) approach which exploits the iterative structure of learning algorithms for efficient hyperparameter tuning. We propose to learn an evaluation function compressing learning progress at any stage of the training process into a single numeric score according to both training success and stability. Our BO framework is then balancing the benefit of assessing a hyperparameter setting over additional training steps against their computation cost. We further increase model efficiency by selectively including scores from different training steps for any evaluated hyperparameter set. We demonstrate the efficiency of our algorithm by tuning hyperparameters for the training of deep reinforcement learning agents and convolutional neural networks. Our algorithm outperforms all existing baselines in identifying optimal hyperparameters in minimal time.

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arXiv2020

Gaussian Process Bandit Optimization of the Thermodynamic Variational Objective

Achieving the full promise of the Thermodynamic Variational Objective (TVO), a recently proposed variational lower bound on the log evidence involving a one-dimensional Riemann integral approximation, requires choosing a "schedule" of sorted discretization points. This paper introduces a bespoke Gaussian process bandit optimization method for automatically choosing these points. Our approach not only automates their one-time selection, but also dynamically adapts their positions over the course of optimization, leading to improved model learning and inference. We provide theoretical guarantees that our bandit optimization converges to the regret-minimizing choice of integration points. Empirical validation of our algorithm is provided in terms of improved learning and inference in Variational Autoencoders and Sigmoid Belief Networks.

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arXiv2020

Knowing The What But Not The Where in Bayesian Optimization

Bayesian optimization has demonstrated impressive success in finding the optimum input x* and output f* = f(x*) = max f(x) of a black-box function f. In some applications, however, the optimum output f* is known in advance and the goal is to find the corresponding optimum input x*. In this paper, we consider a new setting in BO in which the knowledge of the optimum output f* is available. Our goal is to exploit the knowledge about f* to search for the input x* efficiently. To achieve this goal, we first transform the Gaussian process surrogate using the information about the optimum output. Then, we propose two acquisition functions, called confidence bound minimization and expected regret minimization. We show that our approaches work intuitively and give quantitatively better performance against standard BO methods. We demonstrate real applications in tuning a deep reinforcement learning algorithm on the CartPole problem and XGBoost on Skin Segmentation dataset in which the optimum values are publicly available.

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arXiv2020

Bayesian Optimisation over Multiple Continuous and Categorical Inputs

Efficient optimisation of black-box problems that comprise both continuous and categorical inputs is important, yet poses significant challenges. We propose a new approach, Continuous and Categorical Bayesian Optimisation (CoCaBO), which combines the strengths of multi-armed bandits and Bayesian optimisation to select values for both categorical and continuous inputs. We model this mixed-type space using a Gaussian Process kernel, designed to allow sharing of information across multiple categorical variables, each with multiple possible values; this allows CoCaBO to leverage all available data efficiently. We extend our method to the batch setting and propose an efficient selection procedure that dynamically balances exploration and exploitation whilst encouraging batch diversity. We demonstrate empirically that our method outperforms existing approaches on both synthetic and real-world optimisation tasks with continuous and categorical inputs.

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arXiv2020

Incorporating Expert Prior Knowledge into Experimental Design via Posterior Sampling

Scientific experiments are usually expensive due to complex experimental preparation and processing. Experimental design is therefore involved with the task of finding the optimal experimental input that results in the desirable output by using as few experiments as possible. Experimenters can often acquire the knowledge about the location of the global optimum. However, they do not know how to exploit this knowledge to accelerate experimental design. In this paper, we adopt the technique of Bayesian optimization for experimental design since Bayesian optimization has established itself as an efficient tool for optimizing expensive black-box functions. Again, it is unknown how to incorporate the expert prior knowledge about the global optimum into Bayesian optimization process. To address it, we represent the expert knowledge about the global optimum via placing a prior distribution on it and we then derive its posterior distribution. An efficient Bayesian optimization approach has been proposed via posterior sampling on the posterior distribution of the global optimum. We theoretically analyze the convergence of the proposed algorithm and discuss the robustness of incorporating expert prior. We evaluate the efficiency of our algorithm by optimizing synthetic functions and tuning hyperparameters of classifiers along with a real-world experiment on the synthesis of short polymer fiber. The results clearly demonstrate the advantages of our proposed method.

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arXiv2019

Accelerating Experimental Design by Incorporating Experimenter Hunches

Experimental design is a process of obtaining a product with target property via experimentation. Bayesian optimization offers a sample-efficient tool for experimental design when experiments are expensive. Often, expert experimenters have 'hunches' about the behavior of the experimental system, offering potentials to further improve the efficiency. In this paper, we consider per-variable monotonic trend in the underlying property that results in a unimodal trend in those variables for a target value optimization. For example, sweetness of a candy is monotonic to the sugar content. However, to obtain a target sweetness, the utility of the sugar content becomes a unimodal function, which peaks at the value giving the target sweetness and falls off both ways. In this paper, we propose a novel method to solve such problems that achieves two main objectives: a) the monotonicity information is used to the fullest extent possible, whilst ensuring that b) the convergence guarantee remains intact. This is achieved by a two-stage Gaussian process modeling, where the first stage uses the monotonicity trend to model the underlying property, and the second stage uses `virtual' samples, sampled from the first, to model the target value optimization function. The process is made theoretically consistent by adding appropriate adjustment factor in the posterior computation, necessitated because of using the `virtual' samples. The proposed method is evaluated through both simulations and real world experimental design problems of a) new short polymer fiber with the target length, and b) designing of a new three dimensional porous scaffolding with a target porosity. In all scenarios our method demonstrates faster convergence than the basic Bayesian optimization approach not using such `hunches'.

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arXiv2018

Practical Batch Bayesian Optimization for Less Expensive Functions

Bayesian optimization (BO) and its batch extensions are successful for optimizing expensive black-box functions. However, these traditional BO approaches are not yet ideal for optimizing less expensive functions when the computational cost of BO can dominate the cost of evaluating the blackbox function. Examples of these less expensive functions are cheap machine learning models, inexpensive physical experiment through simulators, and acquisition function optimization in Bayesian optimization. In this paper, we consider a batch BO setting for situations where function evaluations are less expensive. Our model is based on a new exploration strategy using geometric distance that provides an alternative way for exploration, selecting a point far from the observed locations. Using that intuition, we propose to use Sobol sequence to guide exploration that will get rid of running multiple global optimization steps as used in previous works. Based on the proposed distance exploration, we present an efficient batch BO approach. We demonstrate that our approach outperforms other baselines and global optimization methods when the function evaluations are less expensive.

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arXiv2018

A+D Net: Training a Shadow Detector with Adversarial Shadow Attenuation

We propose a novel GAN-based framework for detecting shadows in images, in which a shadow detection network (D-Net) is trained together with a shadow attenuation network (A-Net) that generates adversarial training examples. The A-Net modifies the original training images constrained by a simplified physical shadow model and is focused on fooling the D-Net's shadow predictions. Hence, it is effectively augmenting the training data for D-Net with hard-to-predict cases. The D-Net is trained to predict shadows in both original images and generated images from the A-Net. Our experimental results show that the additional training data from A-Net significantly improves the shadow detection accuracy of D-Net. Our method outperforms the state-of-the-art methods on the most challenging shadow detection benchmark (SBU) and also obtains state-of-the-art results on a cross-dataset task, testing on UCF. Furthermore, the proposed method achieves accurate real-time shadow detection at 45 frames per second.

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arXiv2018

High Dimensional Bayesian Optimization Using Dropout

Scaling Bayesian optimization to high dimensions is challenging task as the global optimization of high-dimensional acquisition function can be expensive and often infeasible. Existing methods depend either on limited active variables or the additive form of the objective function. We propose a new method for high-dimensional Bayesian optimization, that uses a dropout strategy to optimize only a subset of variables at each iteration. We derive theoretical bounds for the regret and show how it can inform the derivation of our algorithm. We demonstrate the efficacy of our algorithms for optimization on two benchmark functions and two real-world applications- training cascade classifiers and optimizing alloy composition.

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arXiv2017

Approximation Vector Machines for Large-scale Online Learning

One of the most challenging problems in kernel online learning is to bound the model size and to promote the model sparsity. Sparse models not only improve computation and memory usage, but also enhance the generalization capacity, a principle that concurs with the law of parsimony. However, inappropriate sparsity modeling may also significantly degrade the performance. In this paper, we propose Approximation Vector Machine (AVM), a model that can simultaneously encourage the sparsity and safeguard its risk in compromising the performance. When an incoming instance arrives, we approximate this instance by one of its neighbors whose distance to it is less than a predefined threshold. Our key intuition is that since the newly seen instance is expressed by its nearby neighbor the optimal performance can be analytically formulated and maintained. We develop theoretical foundations to support this intuition and further establish an analysis to characterize the gap between the approximation and optimal solutions. This gap crucially depends on the frequency of approximation and the predefined threshold. We perform the convergence analysis for a wide spectrum of loss functions including Hinge, smooth Hinge, and Logistic for classification task, and $l_1$, $l_2$, and $ε$-insensitive for regression task. We conducted extensive experiments for classification task in batch and online modes, and regression task in online mode over several benchmark datasets. The results show that our proposed AVM achieved a comparable predictive performance with current state-of-the-art methods while simultaneously achieving significant computational speed-up due to the ability of the proposed AVM in maintaining the model size.

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arXiv2017

Budgeted Batch Bayesian Optimization With Unknown Batch Sizes

Parameter settings profoundly impact the performance of machine learning algorithms and laboratory experiments. The classical grid search or trial-error methods are exponentially expensive in large parameter spaces, and Bayesian optimization (BO) offers an elegant alternative for global optimization of black box functions. In situations where the black box function can be evaluated at multiple points simultaneously, batch Bayesian optimization is used. Current batch BO approaches are restrictive in that they fix the number of evaluations per batch, and this can be wasteful when the number of specified evaluations is larger than the number of real maxima in the underlying acquisition function. We present the Budgeted Batch Bayesian Optimization (B3O) for hyper-parameter tuning and experimental design - we identify the appropriate batch size for each iteration in an elegant way. To set the batch size flexible, we use the infinite Gaussian mixture model (IGMM) for automatically identifying the number of peaks in the underlying acquisition functions. We solve the intractability of estimating the IGMM directly from the acquisition function by formulating the batch generalized slice sampling to efficiently draw samples from the acquisition function. We perform extensive experiments for both synthetic functions and two real world applications - machine learning hyper-parameter tuning and experimental design for alloy hardening. We show empirically that the proposed B3O outperforms the existing fixed batch BO approaches in finding the optimum whilst requiring a fewer number of evaluations, thus saving cost and time.

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arXiv2017

Sparse Autoencoder for Unsupervised Nucleus Detection and Representation in Histopathology Images

Histopathology images are crucial to the study of complex diseases such as cancer. The histologic characteristics of nuclei play a key role in disease diagnosis, prognosis and analysis. In this work, we propose a sparse Convolutional Autoencoder (CAE) for fully unsupervised, simultaneous nucleus detection and feature extraction in histopathology tissue images. Our CAE detects and encodes nuclei in image patches in tissue images into sparse feature maps that encode both the location and appearance of nuclei. Our CAE is the first unsupervised detection network for computer vision applications. The pretrained nucleus detection and feature extraction modules in our CAE can be fine-tuned for supervised learning in an end-to-end fashion. We evaluate our method on four datasets and reduce the errors of state-of-the-art methods up to 42%. We are able to achieve comparable performance with only 5% of the fully-supervised annotation cost.

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arXiv2017

Scalable Semi-supervised Learning with Graph-based Kernel Machine

Acquiring labels are often costly, whereas unlabeled data are usually easy to obtain in modern machine learning applications. Semi-supervised learning provides a principled machine learning framework to address such situations, and has been applied successfully in many real-word applications and industries. Nonetheless, most of existing semi-supervised learning methods encounter two serious limitations when applied to modern and large-scale datasets: computational burden and memory usage demand. To this end, we present in this paper the Graph-based semi-supervised Kernel Machine (GKM), a method that leverages the generalization ability of kernel-based method with the geometrical and distributive information formulated through a spectral graph induced from data for semi-supervised learning purpose. Our proposed GKM can be solved directly in the primal form using the Stochastic Gradient Descent method with the ideal convergence rate $O(\frac{1}{T})$. Besides, our formulation is suitable for a wide spectrum of important loss functions in the literature of machine learning (e.g., Hinge, smooth Hinge, Logistic, L1, and ε-insensitive) and smoothness functions (i.e., $l_p(t) = |t|^p$ with $p\ge1$). We further show that the well-known Laplacian Support Vector Machine is a special case of our formulation. We validate our proposed method on several benchmark datasets to demonstrate that GKM is appropriate for the large-scale datasets since it is optimal in memory usage and yields superior classification accuracy whilst simultaneously achieving a significant computation speed-up in comparison with the state-of-the-art baselines.

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