pwc-archive/papers-with-abstracts huggingface dataset:
Small Data, Big Decisions: Model Selection in the Small-Data Regime
Authors: Jorg Bornschein, Francesco Visin, Simon Osindero
Date: 2020-09-26 00:00:00
Proceeding: ICML 2020 1
Tasks: Model Selection

Highly overparametrized neural networks can display curiously strong generalization performance - a phenomenon that has recently garnered a wealth of theoretical and empirical research in order to better understand it. In contrast to most previous work, which typically considers the performance as a function of the model size, in this paper we empirically study the generalization performance as the size of the training set varies over multiple orders of magnitude. These systematic experiments lead to some interesting and potentially very useful observations; perhaps most notably that training on smaller subsets of the data can lead to more reliable model selection decisions whilst simultaneously enjoying smaller computational costs. Our experiments furthermore allow us to estimate Minimum Description Lengths for common datasets given modern neural network architectures, thereby paving the way for principled model selection taking into account Occams-razor.
Inductive Graph Embeddings through Locality Encodings
Authors: Nurudin Alvarez-Gonzalez, Andreas Kaltenbrunner, Vicenç Gómez
Date: 2020-09-26 00:00:00
Tasks: Language Modeling, Language Modelling, Link Prediction, Network Embedding, Node Classification

Learning embeddings from large-scale networks is an open challenge. Despite the overwhelming number of existing methods, is is unclear how to exploit network structure in a way that generalizes easily to unseen nodes, edges or graphs. In this work, we look at the problem of finding inductive network embeddings in large networks without domain-dependent node/edge attributes. We propose to use a set of basic predefined local encodings as the basis of a learning algorithm. In particular, we consider the degree frequencies at different distances from a node, which can be computed efficiently for relatively short distances and a large number of nodes. Interestingly, the resulting embeddings generalize well across unseen or distant regions in the network, both in unsupervised settings, when combined with language model learning, as well as in supervised tasks, when used as additional features in a neural network. Despite its simplicity, this method achieves state-of-the-art performance in tasks such as role detection, link prediction and node classification, and represents an inductive network embedding method directly applicable to large unattributed networks.
Graph neural induction of value iteration
Authors: Andreea Deac, Pierre-Luc Bacon, Jian Tang
Date: 2020-09-26 00:00:00
Tasks: Deep Reinforcement Learning, Graph Neural Network, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Many reinforcement learning tasks can benefit from explicit planning based on an internal model of the environment. Previously, such planning components have been incorporated through a neural network that partially aligns with the computational graph of value iteration. Such network have so far been focused on restrictive environments (e.g. grid-worlds), and modelled the planning procedure only indirectly. We relax these constraints, proposing a graph neural network (GNN) that executes the value iteration (VI) algorithm, across arbitrary environment models, with direct supervision on the intermediate steps of VI. The results indicate that GNNs are able to model value iteration accurately, recovering favourable metrics and policies across a variety of out-of-distribution tests. This suggests that GNN executors with strong supervision are a viable component within deep reinforcement learning systems.
Neurosymbolic Reinforcement Learning with Formally Verified Exploration
Authors: Greg Anderson, Abhinav Verma, Isil Dillig, Swarat Chaudhuri
Date: 2020-09-26 00:00:00
Proceeding: NeurIPS 2020 12
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Safe Exploration

We present Revel, a partially neural reinforcement learning (RL) framework for provably safe exploration in continuous state and action spaces. A key challenge for provably safe deep RL is that repeatedly verifying neural networks within a learning loop is computationally infeasible. We address this challenge using two policy classes: a general, neurosymbolic class with approximate gradients and a more restricted class of symbolic policies that allows efficient verification. Our learning algorithm is a mirror descent over policies: in each iteration, it safely lifts a symbolic policy into the neurosymbolic space, performs safe gradient updates to the resulting policy, and projects the updated policy into the safe symbolic subset, all without requiring explicit verification of neural networks. Our empirical results show that Revel enforces safe exploration in many scenarios in which Constrained Policy Optimization does not, and that it can discover policies that outperform those learned through prior approaches to verified exploration.
Complementary Meta-Reinforcement Learning for Fault-Adaptive Control
Authors: Ibrahim Ahmed, Marcos Quinones-Grueiro, Gautam Biswas
Date: 2020-09-26 00:00:00
Tasks: Meta-Learning, Meta Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Faults are endemic to all systems. Adaptive fault-tolerant control maintains degraded performance when faults occur as opposed to unsafe conditions or catastrophic events. In systems with abrupt faults and strict time constraints, it is imperative for control to adapt quickly to system changes to maintain system operations. We present a meta-reinforcement learning approach that quickly adapts its control policy to changing conditions. The approach builds upon model-agnostic meta learning (MAML). The controller maintains a complement of prior policies learned under system faults. This "library" is evaluated on a system after a new fault to initialize the new policy. This contrasts with MAML, where the controller derives intermediate policies anew, sampled from a distribution of similar systems, to initialize a new policy. Our approach improves sample efficiency of the reinforcement learning process. We evaluate our approach on an aircraft fuel transfer system under abrupt faults.
Bidirectional Representation Learning from Transformers using Multimodal Electronic Health Record Data to Predict Depression
Authors: Yiwen Meng, William Speier, Michael K. Ong, Corey W. Arnold
Date: 2020-09-26 00:00:00
Tasks: Decision Making, Disease Prediction, Prediction, Representation Learning

Advancements in machine learning algorithms have had a beneficial impact on representation learning, classification, and prediction models built using electronic health record (EHR) data. Effort has been put both on increasing models' overall performance as well as improving their interpretability, particularly regarding the decision-making process. In this study, we present a temporal deep learning model to perform bidirectional representation learning on EHR sequences with a transformer architecture to predict future diagnosis of depression. This model is able to aggregate five heterogenous and high-dimensional data sources from the EHR and process them in a temporal manner for chronic disease prediction at various prediction windows. We applied the current trend of pretraining and fine-tuning on EHR data to outperform the current state-of-the-art in chronic disease prediction, and to demonstrate the underlying relation between EHR codes in the sequence. The model generated the highest increases of precision-recall area under the curve (PRAUC) from 0.70 to 0.76 in depression prediction compared to the best baseline model. Furthermore, the self-attention weights in each sequence quantitatively demonstrated the inner relationship between various codes, which improved the model's interpretability. These results demonstrate the model's ability to utilize heterogeneous EHR data to predict depression while achieving high accuracy and interpretability, which may facilitate constructing clinical decision support systems in the future for chronic disease screening and early detection.
Domain Generalization via Semi-supervised Meta Learning
Authors: Hossein Sharifi-Noghabi, Hossein Asghari, Nazanin Mehrasa, Martin Ester
Date: 2020-09-26 00:00:00
Tasks: Domain Generalization, Meta-Learning

The goal of domain generalization is to learn from multiple source domains to generalize to unseen target domains under distribution discrepancy. Current state-of-the-art methods in this area are fully supervised, but for many real-world problems it is hardly possible to obtain enough labeled samples. In this paper, we propose the first method of domain generalization to leverage unlabeled samples, combining of meta learning's episodic training and semi-supervised learning, called DGSML. DGSML employs an entropy-based pseudo-labeling approach to assign labels to unlabeled samples and then utilizes a novel discrepancy loss to ensure that class centroids before and after labeling unlabeled samples are close to each other. To learn a domain-invariant representation, it also utilizes a novel alignment loss to ensure that the distance between pairs of class centroids, computed after adding the unlabeled samples, is preserved across different domains. DGSML is trained by a meta learning approach to mimic the distribution shift between the input source domains and unseen target domains. Experimental results on benchmark datasets indicate that DGSML outperforms state-of-the-art domain generalization and semi-supervised learning methods.
A Primal-Dual Subgradient Approachfor Fair Meta Learning
Authors: Chen Zhao, Feng Chen, Zhuoyi Wang, Latifur Khan
Date: 2020-09-26 00:00:00
Tasks: Fairness, Few-Shot Learning, Meta-Learning

The problem of learning to generalize to unseen classes during training, known as few-shot classification, has attracted considerable attention. Initialization based methods, such as the gradient-based model agnostic meta-learning (MAML), tackle the few-shot learning problem by "learning to fine-tune". The goal of these approaches is to learn proper model initialization, so that the classifiers for new classes can be learned from a few labeled examples with a small number of gradient update steps. Few shot meta-learning is well-known with its fast-adapted capability and accuracy generalization onto unseen tasks. Learning fairly with unbiased outcomes is another significant hallmark of human intelligence, which is rarely touched in few-shot meta-learning. In this work, we propose a Primal-Dual Fair Meta-learning framework, namely PDFM, which learns to train fair machine learning models using only a few examples based on data from related tasks. The key idea is to learn a good initialization of a fair model's primal and dual parameters so that it can adapt to a new fair learning task via a few gradient update steps. Instead of manually tuning the dual parameters as hyperparameters via a grid search, PDFM optimizes the initialization of the primal and dual parameters jointly for fair meta-learning via a subgradient primal-dual approach. We further instantiate examples of bias controlling using mean difference and decision boundary covariance as fairness constraints to each task for supervised regression and classification, respectively. We demonstrate the versatility of our proposed approach by applying our approach to various real-world datasets. Our experiments show substantial improvements over the best prior work for this setting.
Decision-Aware Conditional GANs for Time Series Data
Authors: He Sun, Zhun Deng, Hui Chen, David C. Parkes
Date: 2020-09-26 00:00:00
Tasks: Generative Adversarial Network, Time Series, Time Series Analysis, Time Series Generation

We introduce the decision-aware time-series conditional generative adversarial network (DAT-CGAN) as a method for time-series generation. The framework adopts a multi-Wasserstein loss on structured decision-related quantities, capturing the heterogeneity of decision-related data and providing new effectiveness in supporting the decision processes of end users. We improve sample efficiency through an overlapped block-sampling method, and provide a theoretical characterization of the generalization properties of DAT-CGAN. The framework is demonstrated on financial time series for a multi-time-step portfolio choice problem. We demonstrate better generative quality in regard to underlying data and different decision-related quantities than strong, GAN-based baselines.
Reinforcement Learning-based N-ary Cross-Sentence Relation Extraction
Authors: Chenhan Yuan, Ryan Rossi, Andrew Katz, Hoda Eldardiry
Date: 2020-09-26 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Relation, Relation Extraction, Sentence

The models of n-ary cross sentence relation extraction based on distant supervision assume that consecutive sentences mentioning n entities describe the relation of these n entities. However, on one hand, this assumption introduces noisy labeled data and harms the models' performance. On the other hand, some non-consecutive sentences also describe one relation and these sentences cannot be labeled under this assumption. In this paper, we relax this strong assumption by a weaker distant supervision assumption to address the second issue and propose a novel sentence distribution estimator model to address the first problem. This estimator selects correctly labeled sentences to alleviate the effect of noisy data is a two-level agent reinforcement learning model. In addition, a novel universal relation extractor with a hybrid approach of attention mechanism and PCNN is proposed such that it can be deployed in any tasks, including consecutive and nonconsecutive sentences. Experiments demonstrate that the proposed model can reduce the impact of noisy data and achieve better performance on general n-ary cross sentence relation extraction task compared to baseline models.
Adaptive Non-reversible Stochastic Gradient Langevin Dynamics
Authors: Vikram Krishnamurthy, George Yin
Date: 2020-09-26 00:00:00

It is well known that adding any skew symmetric matrix to the gradient of Langevin dynamics algorithm results in a non-reversible diffusion with improved convergence rate. This paper presents a gradient algorithm to adaptively optimize the choice of the skew symmetric matrix. The resulting algorithm involves a non-reversible diffusion algorithm cross coupled with a stochastic gradient algorithm that adapts the skew symmetric matrix. The algorithm uses the same data as the classical Langevin algorithm. A weak convergence proof is given for the optimality of the choice of the skew symmetric matrix. The improved convergence rate of the algorithm is illustrated numerically in Bayesian learning and tracking examples.
An Adaptive EM Accelerator for Unsupervised Learning of Gaussian Mixture Models
Authors: Truong Nguyen, Guangye Chen, Luis Chacon
Date: 2020-09-26 00:00:00
Tasks: Clustering

We propose an Anderson Acceleration (AA) scheme for the adaptive Expectation-Maximization (EM) algorithm for unsupervised learning a finite mixture model from multivariate data (Figueiredo and Jain 2002). The proposed algorithm is able to determine the optimal number of mixture components autonomously, and converges to the optimal solution much faster than its non-accelerated version. The success of the AA-based algorithm stems from several developments rather than a single breakthrough (and without these, our tests demonstrate that AA fails catastrophically). To begin, we ensure the monotonicity of the likelihood function (a the key feature of the standard EM algorithm) with a recently proposed monotonicity-control algorithm (Henderson and Varahdan 2019), enhanced by a novel monotonicity test with little overhead. We propose nimble strategies for AA to preserve the positive definiteness of the Gaussian weights and covariance matrices strictly, and to conserve up to the second moments of the observed data set exactly. Finally, we employ a K-means clustering algorithm using the gap statistic to avoid excessively overestimating the initial number of components, thereby maximizing performance. We demonstrate the accuracy and efficiency of the algorithm with several synthetic data sets that are mixtures of Gaussians distributions of known number of components, as well as data sets generated from particle-in-cell simulations. Our numerical results demonstrate speed-ups with respect to non-accelerated EM of up to 60X when the exact number of mixture components is known, and between a few and more than an order of magnitude with component adaptivity.
Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties
Authors: Zeren Shui, George Karypis
Date: 2020-09-26 00:00:00
Tasks: Formation Energy, Graph Neural Network

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular graphs in which atoms are modeled as nodes. They characterize each atom's chemical environment by modeling its pairwise interactions with other atoms in the molecule. Although these methods achieve a great success, limited amount of works explicitly take many-body interactions, i.e., interactions between three and more atoms, into consideration. In this paper, we introduce a novel graph representation of molecules, heterogeneous molecular graph (HMG) in which nodes and edges are of various types, to model many-body interactions. HMGs have the potential to carry complex geometric information. To leverage the rich information stored in HMGs for chemical prediction problems, we build heterogeneous molecular graph neural networks (HMGNN) on the basis of a neural message passing scheme. HMGNN incorporates global molecule representations and an attention mechanism into the prediction process. The predictions of HMGNN are invariant to translation and rotation of atom coordinates, and permutation of atom indices. Our model achieves state-of-the-art performance in 9 out of 12 tasks on the QM9 dataset.
Differentially Private Adversarial Robustness Through Randomized Perturbations
Authors: Nan Xu, Oluwaseyi Feyisetan, Abhinav Aggarwal, Zekun Xu, Nathanael Teissier
Date: 2020-09-27 00:00:00
Tasks: Adversarial Robustness, Semantic Similarity, Semantic Textual Similarity

Deep Neural Networks, despite their great success in diverse domains, are provably sensitive to small perturbations on correctly classified examples and lead to erroneous predictions. Recently, it was proposed that this behavior can be combatted by optimizing the worst case loss function over all possible substitutions of training examples. However, this can be prone to weighing unlikely substitutions higher, limiting the accuracy gain. In this paper, we study adversarial robustness through randomized perturbations, which has two immediate advantages: (1) by ensuring that substitution likelihood is weighted by the proximity to the original word, we circumvent optimizing the worst case guarantees and achieve performance gains; and (2) the calibrated randomness imparts differentially-private model training, which additionally improves robustness against adversarial attacks on the model outputs. Our approach uses a novel density-based mechanism based on truncated Gumbel noise, which ensures training on substitutions of both rare and dense words in the vocabulary while maintaining semantic similarity for model robustness.
Beneficial Perturbations Network for Defending Adversarial Examples
Authors: Shixian Wen, Amanda Rios, Laurent Itti
Date: 2020-09-27 00:00:00

Deep neural networks can be fooled by adversarial attacks: adding carefully computed small adversarial perturbations to clean inputs can cause misclassification on state-of-the-art machine learning models. The reason is that neural networks fail to accommodate the distribution drift of the input data caused by adversarial perturbations. Here, we present a new solution - Beneficial Perturbation Network (BPN) - to defend against adversarial attacks by fixing the distribution drift. During training, BPN generates and leverages beneficial perturbations (somewhat opposite to well-known adversarial perturbations) by adding new, out-of-network biasing units. Biasing units influence the parameter space of the network, to preempt and neutralize future adversarial perturbations on input data samples. To achieve this, BPN creates reverse adversarial attacks during training, with very little cost, by recycling the training gradients already computed. Reverse attacks are captured by the biasing units, and the biases can in turn effectively defend against future adversarial examples. Reverse attacks are a shortcut, i.e., they affect the network's parameters without requiring instantiation of adversarial examples that could assist training. We provide comprehensive empirical evidence showing that 1) BPN is robust to adversarial examples and is much more running memory and computationally efficient compared to classical adversarial training. 2) BPN can defend against adversarial examples with negligible additional computation and parameter costs compared to training only on clean examples; 3) BPN hurts the accuracy on clean examples much less than classic adversarial training; 4) BPN can improve the generalization of the network 5) BPN trained only with Fast Gradient Sign Attack can generalize to defend PGD attacks.
STAN: Synthetic Network Traffic Generation with Generative Neural Models
Authors: Shengzhe Xu, Manish Marwah, Martin Arlitt, Naren Ramakrishnan
Date: 2020-09-27 00:00:00
Tasks: Anomaly Detection

Deep learning models have achieved great success in recent years but progress in some domains like cybersecurity is stymied due to a paucity of realistic datasets. Organizations are reluctant to share such data, even internally, due to privacy reasons. An alternative is to use synthetically generated data but existing methods are limited in their ability to capture complex dependency structures, between attributes and across time. This paper presents STAN (Synthetic network Traffic generation with Autoregressive Neural models), a tool to generate realistic synthetic network traffic datasets for subsequent downstream applications. Our novel neural architecture captures both temporal dependencies and dependence between attributes at any given time. It integrates convolutional neural layers with mixture density neural layers and softmax layers, and models both continuous and discrete variables. We evaluate the performance of STAN in terms of the quality of data generated, by training it on both a simulated dataset and a real network traffic data set. Finally, to answer the question - can real network traffic data be substituted with synthetic data to train models of comparable accuracy? We train two anomaly detection models based on self-supervision. The results show only a small decline in the accuracy of models trained solely on synthetic data. While current results are encouraging in terms of quality of data generated and absence of any obvious data leakage from training data, in the future we plan to further validate this fact by conducting privacy attacks on the generated data. Other future work includes validating capture of long term dependencies and making model training