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Harnessing Structures for Value-Based Planning and Reinforcement Learning

arXiv.org Machine Learning

Value-based methods constitute a fundamental methodology in planning and deep reinforcement learning (RL). In this paper, we propose to exploit the underlying structures of the state-action value function, i.e., Q function, for both planning and deep RL. In particular, if the underlying system dynamics lead to some global structures of the Q function, one should be capable of inferring the function better by leveraging such structures. Specifically, we investigate the lowrank structure, which widely exists for big data matrices. We verify empirically the existence of low-rank Q functions in the context of control and deep RL tasks (Atari games). As our key contribution, by leveraging Matrix Estimation (ME) techniques, we propose a general framework to exploit the underlying low-rank structure in Q functions, leading to a more efficient planning procedure for classical control, and additionally, a simple scheme that can be applied to any value-based RL techniques to consistently achieve better performance on "low-rank" tasks. Extensive experiments on control tasks and Atari games confirm the efficacy of our approach.


Data Smashing 2.0: Sequence Likelihood (SL) Divergence For Fast Time Series Comparison

arXiv.org Machine Learning

Abstract--Recognizing subtle historical patterns is central to modeling and forecasting problems in time series analysis. Here we introduce and develop a new approach to quantify deviations in the underlying hidden generators of observed data streams, resulting in a new efficiently computable universal metric for time series. The proposed metric is universal in the sense that we can compare and contrast data streams regardless of where and how they are generated, and without any feature engineering step. The approach proposed in this paper is conceptually distinct from our previous work on data smashing [4], and vastly improves discrimination performance and computing speed. The core idea here is the generalization of the notion of KL divergence often used to compare probability distributions to a notion of divergence in time series. We call this the sequence likelihood (SL) divergence, which may be used to measure deviations within a well-defined class of discrete-valued stochastic processes. We devise efficient estimators of SL divergence from finite sample paths, and subsequently formulate a universal metric useful for computing distance between time series produced by hidden stochastic generators. We illustrate the superior performance of the new smash2.0 Pattern disambiguation in two distinct applications involving electroencephalogram data and gait recognition is also illustrated. We are hopeful that the smash2.0 Effi ciently learning stochastic processes is a key challenge in analyzing time-dependency in domains where randomness cannot be ignored. For such learning to occur, we need todefine a distance metric to compare and contrast time series. However these distance metrics mentioned all have either or both of the following limitations: first, dimensionality reduction and feature selection heavily relies on domain knowledge and inevitably incur trade-o ff between precision and computability. Secondly, when dealing with data from nontrivial stochastic process dynamics, state of the art techniques might fail to correctly estimate the similarity or lack thereof between exemplars.


PairNorm: Tackling Oversmoothing in GNNs

arXiv.org Machine Learning

The performance of graph neural nets (GNNs) is known to gradually decrease with increasing number of layers. This decay is partly attributed to oversmoothing, where repeated graph convolutions eventually make node embeddings indistinguishable. We take a closer look at two different interpretations, aiming to quantify oversmoothing. Our main contribution is \method, a novel normalization layer that is based on a careful analysis of the graph convolution operator, which prevents all node embeddings from becoming too similar. What is more, \method is fast, easy to implement without any change to network architecture nor any additional parameters, and is broadly applicable to any GNN. Experiments on real-world graphs demonstrate that \method makes deeper GCN, GAT, and SGC models more robust against oversmoothing, and significantly boosts performance for a new problem setting that benefits from deeper GNNs.


Implicit Semantic Data Augmentation for Deep Networks

arXiv.org Machine Learning

In this paper, we propose a novel implicit semantic data augmentation (ISDA) approach to complement traditional augmentation techniques like flipping, translation or rotation. Our work is motivated by the intriguing property that deep networks are surprisingly good at linearizing features, such that certain directions in the deep feature space correspond to meaningful semantic transformations, e.g., adding sunglasses or changing backgrounds. As a consequence, translating training samples along many semantic directions in the feature space can effectively augment the dataset to improve generalization. To implement this idea effectively and efficiently, we first perform an online estimate of the covariance matrix of deep features for each class, which captures the intra-class semantic variations. Then random vectors are drawn from a zero-mean normal distribution with the estimated covariance to augment the training data in that class. Importantly, instead of augmenting the samples explicitly, we can directly minimize an upper bound of the expected cross-entropy (CE) loss on the augmented training set, leading to a highly efficient algorithm. In fact, we show that the proposed ISDA amounts to minimizing a novel robust CE loss, which adds negligible extra computational cost to a normal training procedure. Although being simple, ISDA consistently improves the generalization performance of popular deep models (ResNets and DenseNets) on a variety of datasets, e.g., CIFAR-10, CIFAR-100 and ImageNet. Code for reproducing our results are available at https://github.com/blackfeather-wang/ISDA-for-Deep-Networks.


Estimating covariance and precision matrices along subspaces

arXiv.org Machine Learning

We study the accuracy of estimating the covariance and the precision matrix of a $D$-variate sub-Gaussian distribution along a prescribed subspace or direction using the finite sample covariance with $N \geq D$ samples. Our results show that the estimation accuracy depends almost exclusively only on the components of the distribution that correspond to desired subspaces or directions. This is relevant for problems where behavior of data along a lower-dimensional space is of specific interest, such as dimension reduction or structured regression problems. As a by-product of the analysis, we reduce the effect the matrix condition number has on the estimation of precision matrices. Two applications are presented: direction-sensitive eigenspace perturbation bounds, and estimation of the single-index model. For the latter, a new estimator, derived from the analysis, with strong theoretical guarantees and superior numerical performance is proposed.


Overlapping Community Detection with Graph Neural Networks

arXiv.org Machine Learning

Community detection is a fundamental problem in machine learning. While deep learning has shown great promise in many graphrelated tasks, developing neural models for community detection has received surprisingly little attention. The few existing approaches focus on detecting disjoint communities, even though communities in real graphs are well known to be overlapping. We address this shortcoming and propose a graph neural network (GNN) based model for overlapping community detection. Despite its simplicity, our model outperforms the existing baselines by a large margin in the task of community recovery. We establish through an extensive experimental evaluation that the proposed model is effective, scalable and robust to hyperparameter settings. We also perform an ablation study that confirms that GNN is the key ingredient to the power of the proposed model.


A Decision-Based Dynamic Ensemble Selection Method for Concept Drift

arXiv.org Machine Learning

Abstract--We propose an online method for concept drift detection based on dynamic classifier ensemble selection. T he proposed method generates a pool of ensembles by promoting diversity among classifier members and chooses expert ensem bles according to global prequential accuracy values. Unlike cu rrent dynamic ensemble selection approaches that use only local k nowl-edge to select the most competent ensemble for each instance, our method focuses on selection taking into account the deci sion space. Consequently, it is well adapted to the context of dri ft detection in data stream problems. The results of the experi ments show that the proposed method attained the highest detectio n precision and the lowest number of false alarms, besides compet itive classification accuracy rates, in artificial datasets repre senting different types of drifts. Moreover, it outperformed basel ines in different real-problem datasets in terms of classification accuracy. Practical tasks, such as identification of customer preferences, Internet log analysis, among others, are examples of data stream problems. In this context, the so-called concep t drift phenomenon may occur, since when data are continuousl y generated in streams, data and target concepts may change over time. Algorithms designed to deal with drift may be divided into two main groups: (1) online - when one instance is learned at a time upon arrival; and (2) block-based - when chunks of samples are presented from time to time [1]. Online methods are very useful in data stream environments, especially due to three main reasons: samples arrive sequential ly; data usually must be processed in high volumes at fast paces; and each data instance is read only once. Different categories of online methods are available in the literature. Drift detectors are common solutions.


Towards neural networks that provably know when they don't know

arXiv.org Machine Learning

It has recently been shown that ReLU networks produce arbitrarily over-confident predictions far away from the training data. Thus, ReLU networks do not know when they don't know. However, this is a highly important property in safety critical applications. In the context of out-of-distribution detection (OOD) there have been a number of proposals to mitigate this problem but none of them are able to make any mathematical guarantees. In this paper we propose a new approach to OOD which overcomes both problems. Our approach can be used with ReLU networks and provides provably low confidence predictions far away from the training data as well as the first certificates for low confidence predictions in a neighborhood of an out-distribution point. In the experiments we show that state-of-the-art methods fail in this worst-case setting whereas our model can guarantee its performance while retaining state-of-the-art OOD performance.


Galaxy Image Simulation Using Progressive GANs

arXiv.org Machine Learning

In this work, we provide an efficient and realistic data-driven approach to simulate astronomical images using deep generative models from machine learning. Our solution is based on a variant of the generative adversarial network (GAN) with progressive training methodology and Wasserstein cost function. The proposed solution generates naturalistic images of galaxies that show complex structures and high diversity, which suggests that data-driven simulations using machine learning can replace many of the expensive model-driven methods used in astronomical data processing.


Intensity-Free Learning of Temporal Point Processes

arXiv.org Machine Learning

Temporal point processes are the dominant paradigm for modeling sequences of events happening at irregular intervals. The standard way of learning in such models is by estimating the conditional intensity function. However, parameterizing the intensity function usually incurs several trade-offs. We show how to overcome the limitations of intensity-based approaches by directly modeling the conditional distribution of inter-event times. We draw on the literature on normalizing flows to design models that are flexible and efficient. We additionally propose a simple mixture model that matches the flexibility of flow-based models, but also permits sampling and computing moments in closed form. The proposed models achieve state-of-the-art performance in standard prediction tasks and are suitable for novel applications, such as learning sequence embeddings and imputing missing data.