In deep active learning, it is especially important to choose multiple examples to markup at each step to work efficiently, especially on large datasets. At the same time, existing solutions to this problem in the Bayesian setup, such as BatchBALD, have significant limitations in selecting a large number of examples, associated with the exponential complexity of computing mutual information for joint random variables. We, therefore, present the Large BatchBALD algorithm, which gives a well-grounded approximation to the BatchBALD method that aims to achieve comparable quality while being more computationally efficient. We provide a complexity analysis of the algorithm, showing a reduction in computation time, especially for large batches. Furthermore, we present an extensive set of experimental results on image and text data, both on toy datasets and larger ones such as CIFAR-100.
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For many tasks of data analysis, we may only have the information of the explanatory variable and the evaluation of the response values are quite expensive. While it is impractical or too costly to obtain the responses of all units, a natural remedy is to judiciously select a good sample of units, for which the responses are to be evaluated. In this paper, we adopt the classical criteria in design of experiments to quantify the information of a given sample regarding parameter estimation. Then, we provide a theoretical justification for approximating the optimal sample problem by a continuous problem, for which fast algorithms can be further developed with the guarantee of global convergence. Our results have the following novelties: (i) The statistical efficiency of any candidate sample can be evaluated without knowing the exact optimal sample; (ii) It can be applied to a very wide class of statistical models; (iii) It can be integrated with a broad class of information criteria; (iv) It is much faster than existing algorithms. $(v)$ A geometric interpretation is adopted to theoretically justify the relaxation of the original combinatorial problem to continuous optimization problem.
The acquisition of labels for supervised learning can be expensive. In order to improve the sample-efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian Process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width Neural Tangent Kernels, and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.
Empirical design in reinforcement learning is no small task. Running good experiments requires attention to detail and at times significant computational resources. While compute resources available per dollar have continued to grow rapidly, so have the scale of typical experiments in reinforcement learning. It is now common to benchmark agents with millions of parameters against dozens of tasks, each using the equivalent of 30 days of experience. The scale of these experiments often conflict with the need for proper statistical evidence, especially when comparing algorithms. Recent studies have highlighted how popular algorithms are sensitive to hyper-parameter settings and implementation details, and that common empirical practice leads to weak statistical evidence (Machado et al., 2018; Henderson et al., 2018). Here we take this one step further. This manuscript represents both a call to action, and a comprehensive resource for how to do good experiments in reinforcement learning. In particular, we cover: the statistical assumptions underlying common performance measures, how to properly characterize performance variation and stability, hypothesis testing, special considerations for comparing multiple agents, baseline and illustrative example construction, and how to deal with hyper-parameters and experimenter bias. Throughout we highlight common mistakes found in the literature and the statistical consequences of those in example experiments. The objective of this document is to provide answers on how we can use our unprecedented compute to do good science in reinforcement learning, as well as stay alert to potential pitfalls in our empirical design.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word ambiguity, (2) word synonymity, and (3) dynamic contextual dependency. To address these challenges, we propose a novel GNN-based sparse structure learning model for inductive document classification. Specifically, a document-level graph is initially generated by a disjoint union of sentence-level word co-occurrence graphs. Our model collects a set of trainable edges connecting disjoint words between sentences and employs structure learning to sparsely select edges with dynamic contextual dependencies. Graphs with sparse structures can jointly exploit local and global contextual information in documents through GNNs. For inductive learning, the refined document graph is further fed into a general readout function for graph-level classification and optimization in an end-to-end manner. Extensive experiments on several real-world datasets demonstrate that the proposed model outperforms most state-of-the-art results, and reveal the necessity to learn sparse structures for each document.
Visual recognition is currently one of the most important and active research areas in computer vision, pattern recognition, and even the general field of artificial intelligence. It has great fundamental importance and strong industrial needs. Deep neural networks (DNNs) have largely boosted their performances on many concrete tasks, with the help of large amounts of training data and new powerful computation resources. Though recognition accuracy is usually the first concern for new progresses, efficiency is actually rather important and sometimes critical for both academic research and industrial applications. Moreover, insightful views on the opportunities and challenges of efficiency are also highly required for the entire community. While general surveys on the efficiency issue of DNNs have been done from various perspectives, as far as we are aware, scarcely any of them focused on visual recognition systematically, and thus it is unclear which progresses are applicable to it and what else should be concerned. In this paper, we present the review of the recent advances with our suggestions on the new possible directions towards improving the efficiency of DNN-related visual recognition approaches. We investigate not only from the model but also the data point of view (which is not the case in existing surveys), and focus on three most studied data types (images, videos and points). This paper attempts to provide a systematic summary via a comprehensive survey which can serve as a valuable reference and inspire both researchers and practitioners who work on visual recognition problems.
Multi-Task Learning (MTL) is a learning paradigm in machine learning and its aim is to leverage useful information contained in multiple related tasks to help improve the generalization performance of all the tasks. In this paper, we give a survey for MTL from the perspective of algorithmic modeling, applications and theoretical analyses. For algorithmic modeling, we give a definition of MTL and then classify different MTL algorithms into five categories, including feature learning approach, low-rank approach, task clustering approach, task relation learning approach and decomposition approach as well as discussing the characteristics of each approach. In order to improve the performance of learning tasks further, MTL can be combined with other learning paradigms including semi-supervised learning, active learning, unsupervised learning, reinforcement learning, multi-view learning and graphical models. When the number of tasks is large or the data dimensionality is high, we review online, parallel and distributed MTL models as well as dimensionality reduction and feature hashing to reveal their computational and storage advantages. Many real-world applications use MTL to boost their performance and we review representative works in this paper. Finally, we present theoretical analyses and discuss several future directions for MTL.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
A comprehensive artificial intelligence system needs to not only perceive the environment with different `senses' (e.g., seeing and hearing) but also infer the world's conditional (or even causal) relations and corresponding uncertainty. The past decade has seen major advances in many perception tasks such as visual object recognition and speech recognition using deep learning models. For higher-level inference, however, probabilistic graphical models with their Bayesian nature are still more powerful and flexible. In recent years, Bayesian deep learning has emerged as a unified probabilistic framework to tightly integrate deep learning and Bayesian models. In this general framework, the perception of text or images using deep learning can boost the performance of higher-level inference and in turn, the feedback from the inference process is able to enhance the perception of text or images. This survey provides a comprehensive introduction to Bayesian deep learning and reviews its recent applications on recommender systems, topic models, control, etc. Besides, we also discuss the relationship and differences between Bayesian deep learning and other related topics such as Bayesian treatment of neural networks.
For deploying a deep learning model into production, it needs to be both accurate and compact to meet the latency and memory constraints. This usually results in a network that is deep (to ensure performance) and yet thin (to improve computational efficiency). In this paper, we propose an efficient method to train a deep thin network with a theoretic guarantee. Our method is motivated by model compression. It consists of three stages. In the first stage, we sufficiently widen the deep thin network and train it until convergence. In the second stage, we use this well-trained deep wide network to warm up (or initialize) the original deep thin network. This is achieved by letting the thin network imitate the immediate outputs of the wide network from layer to layer. In the last stage, we further fine tune this well initialized deep thin network. The theoretical guarantee is established by using mean field analysis, which shows the advantage of layerwise imitation over traditional training deep thin networks from scratch by backpropagation. We also conduct large-scale empirical experiments to validate our approach. By training with our method, ResNet50 can outperform ResNet101, and BERT_BASE can be comparable with BERT_LARGE, where both the latter models are trained via the standard training procedures as in the literature.
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