pwc-archive/papers-with-abstracts huggingface dataset:
Characterizing the Efficiency of Graph Neural Network Frameworks with a Magnifying Glass
Authors: Xin Huang, Jongryool Kim, Bradley Rees, Chul-Ho Lee
Date: 2022-11-06 00:00:00
Tasks: Graph Neural Network, Graph Sampling

Graph neural networks (GNNs) have received great attention due to their success in various graph-related learning tasks. Several GNN frameworks have then been developed for fast and easy implementation of GNN models. Despite their popularity, they are not well documented, and their implementations and system performance have not been well understood. In particular, unlike the traditional GNNs that are trained based on the entire graph in a full-batch manner, recent GNNs have been developed with different graph sampling techniques for mini-batch training of GNNs on large graphs. While they improve the scalability, their training times still depend on the implementations in the frameworks as sampling and its associated operations can introduce non-negligible overhead and computational cost. In addition, it is unknown how much the frameworks are 'eco-friendly' from a green computing perspective. In this paper, we provide an in-depth study of two mainstream GNN frameworks along with three state-of-the-art GNNs to analyze their performance in terms of runtime and power/energy consumption. We conduct extensive benchmark experiments at several different levels and present detailed analysis results and observations, which could be helpful for further improvement and optimization.
On learning history based policies for controlling Markov decision processes
Authors: Gandharv Patil, Aditya Mahajan, Doina Precup
Date: 2022-11-06 00:00:00
Tasks: continuous-control, Continuous Control

Reinforcementlearning(RL)folkloresuggeststhathistory-basedfunctionapproximationmethods,suchas recurrent neural nets or history-based state abstraction, perform better than their memory-less counterparts, due to the fact that function approximation in Markov decision processes (MDP) can be viewed as inducing a Partially observable MDP. However, there has been little formal analysis of such history-based algorithms, as most existing frameworks focus exclusively on memory-less features. In this paper, we introduce a theoretical framework for studying the behaviour of RL algorithms that learn to control an MDP using history-based feature abstraction mappings. Furthermore, we use this framework to design a practical RL algorithm and we numerically evaluate its effectiveness on a set of continuous control tasks.
Differentiable Neural Computers with Memory Demon
Authors: Ari Azarafrooz
Date: 2022-11-05 00:00:00

A Differentiable Neural Computer (DNC) is a neural network with an external memory which allows for iterative content modification via read, write and delete operations. We show that information theoretic properties of the memory contents play an important role in the performance of such architectures. We introduce a novel concept of memory demon to DNC architectures which modifies the memory contents implicitly via additive input encoding. The goal of the memory demon is to maximize the expected sum of mutual information of the consecutive external memory contents.
A Comparison of Automatic Labelling Approaches for Sentiment Analysis
Authors: Sumana Biswas, Karen Young, Josephine Griffith
Date: 2022-11-05 00:00:00
Tasks: Sentiment Analysis

Labelling a large quantity of social media data for the task of supervised machine learning is not only time-consuming but also difficult and expensive. On the other hand, the accuracy of supervised machine learning models is strongly related to the quality of the labelled data on which they train, and automatic sentiment labelling techniques could reduce the time and cost of human labelling. We have compared three automatic sentiment labelling techniques: TextBlob, Vader, and Afinn to assign sentiments to tweets without any human assistance. We compare three scenarios: one uses training and testing datasets with existing ground truth labels; the second experiment uses automatic labels as training and testing datasets; and the third experiment uses three automatic labelling techniques to label the training dataset and uses the ground truth labels for testing. The experiments were evaluated on two Twitter datasets: SemEval-2013 (DS-1) and SemEval-2016 (DS-2). Results show that the Afinn labelling technique obtains the highest accuracy of 80.17% (DS-1) and 80.05% (DS-2) using a BiLSTM deep learning model. These findings imply that automatic text labelling could provide significant benefits, and suggest a feasible alternative to the time and cost of human labelling efforts.
Learning the shape of protein micro-environments with a holographic convolutional neural network
Authors: Michael N. Pun, Andrew Ivanov, Quinn Bellamy, Zachary Montague, Colin LaMont, Philip Bradley, Jakub Otwinowski, Armita Nourmohammad
Date: 2022-11-05 00:00:00

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure remains a major challenge. Here, we introduce Holographic Convolutional Neural Network (H-CNN) for proteins, which is a physically motivated machine learning approach to model amino acid preferences in protein structures. H-CNN reflects physical interactions in a protein structure and recapitulates the functional information stored in evolutionary data. H-CNN accurately predicts the impact of mutations on protein function, including stability and binding of protein complexes. Our interpretable computational model for protein structure-function maps could guide design of novel proteins with desired function.
Efficient Cavity Searching for Gene Network of Influenza A Virus
Authors: Junjie Li, Jietong Zhao, Yanqing Su, Jiahao Shen, Yaohua Liu, Xinyue Fan, Zheng Kou
Date: 2022-11-05 00:00:00
Tasks: Virology

High order structures (cavities and cliques) of the gene network of influenza A virus reveal tight associations among viruses during evolution and are key signals that indicate viral cross-species infection and cause pandemics. As indicators for sensing the dynamic changes of viral genes, these higher order structures have been the focus of attention in the field of virology. However, the size of the viral gene network is usually huge, and searching these structures in the networks introduces unacceptable delay. To mitigate this issue, in this paper, we propose a simple-yet-effective model named HyperSearch based on deep learning to search cavities in a computable complex network for influenza virus genetics. Extensive experiments conducted on a public influenza virus dataset demonstrate the effectiveness of HyperSearch over other advanced deep-learning methods without any elaborated model crafting. Moreover, HyperSearch can finish the search works in minutes while 0-1 programming takes days. Since the proposed method is simple and easy to be transferred to other complex networks, HyperSearch has the potential to facilitate the monitoring of dynamic changes in viral genes and help humans keep up with the pace of virus mutations.
1-D Convolutional Graph Convolutional Networks for Fault Detection in Distributed Energy Systems
Authors: Bang L. H. Nguyen, Tuyen Vu, Thai-Thanh Nguyen, Mayank Panwar, Rob Hovsapian
Date: 2022-11-05 00:00:00
Tasks: Event Detection, Fault Detection, Graph Neural Network, Transfer Learning

This paper presents a 1-D convolutional graph neural network for fault detection in microgrids. The combination of 1-D convolutional neural networks (1D-CNN) and graph convolutional networks (GCN) helps extract both spatial-temporal correlations from the voltage measurements in microgrids. The fault detection scheme includes fault event detection, fault type and phase classification, and fault location. There are five neural network model training to handle these tasks. Transfer learning and fine-tuning are applied to reduce training efforts. The combined recurrent graph convolutional neural networks (1D-CGCN) is compared with the traditional ANN structure on the Potsdam 13-bus microgrid dataset. The achievable accuracy of 99.27%, 98.1%, 98.75%, and 95.6% for fault detection, fault type classification, fault phase identification, and fault location respectively.
Toward Neural Network Simulation of Variational Quantum Algorithms
Authors: Oliver Knitter, James Stokes, Shravan Veerapaneni
Date: 2022-11-05 00:00:00
Tasks: Neural Network simulation, Stochastic Optimization, Variational Monte Carlo

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term quantum resources to accelerate this task, the computational advantage of VQAs over wholly classical algorithms has not been firmly established. For instance, while the variational quantum eigensolver (VQE) has been developed to approximate low-lying eigenmodes of high-dimensional sparse linear operators, analogous classical optimization algorithms exist in the variational Monte Carlo (VMC) literature, utilizing neural networks in place of quantum circuits to represent quantum states. In this paper we ask if classical stochastic optimization algorithms can be constructed paralleling other VQAs, focusing on the example of the variational quantum linear solver (VQLS). We find that such a construction can be applied to the VQLS, yielding a paradigm that could theoretically extend to other VQAs of similar form.
Unsupervised Machine Learning for Explainable Health Care Fraud Detection
Authors: Shubhranshu Shekhar, Jetson Leder-Luis, Leman Akoglu
Date: 2022-11-05 00:00:00
Tasks: Fraud Detection

The US federal government spends more than a trillion dollars per year on health care, largely provided by private third parties and reimbursed by the government. A major concern in this system is overbilling, waste and fraud by providers, who face incentives to misreport on their claims in order to receive higher payments. In this paper, we develop novel machine learning tools to identify providers that overbill Medicare, the US federal health insurance program for elderly adults and the disabled. Using large-scale Medicare claims data, we identify patterns consistent with fraud or overbilling among inpatient hospitalizations. Our proposed approach for Medicare fraud detection is fully unsupervised, not relying on any labeled training data, and is explainable to end users, providing reasoning and interpretable insights into the potentially suspicious behavior of the flagged providers. Data from the Department of Justice on providers facing anti-fraud lawsuits and several case studies validate our approach and findings both quantitatively and qualitatively.
GmGM: a Fast Multi-Axis Gaussian Graphical Model
Authors: Bailey Andrew, David Westhead, Luisa Cutillo
Date: 2022-11-05 00:00:00
Tasks: model

This paper introduces the Gaussian multi-Graphical Model, a model to construct sparse graph representations of matrix- and tensor-variate data. We generalize prior work in this area by simultaneously learning this representation across several tensors that share axes, which is necessary to allow the analysis of multimodal datasets such as those encountered in multi-omics. Our algorithm uses only a single eigendecomposition per axis, achieving an order of magnitude speedup over prior work in the ungeneralized case. This allows the use of our methodology on large multi-modal datasets such as single-cell multi-omics data, which was challenging with previous approaches. We validate our model on synthetic data and five real-world datasets.
New Definitions and Evaluations for Saliency Methods: Staying Intrinsic, Complete and Sound
Authors: Arushi Gupta, Nikunj Saunshi, Dingli Yu, Kaifeng Lyu, Sanjeev Arora
Date: 2022-11-05 00:00:00

Saliency methods compute heat maps that highlight portions of an input that were most {\em important} for the label assigned to it by a deep net. Evaluations of saliency methods convert this heat map into a new {\em masked input} by retaining the $k$ highest-ranked pixels of the original input and replacing the rest with \textquotedblleft uninformative\textquotedblright\ pixels, and checking if the net's output is mostly unchanged. This is usually seen as an {\em explanation} of the output, but the current paper highlights reasons why this inference of causality may be suspect. Inspired by logic concepts of {\em completeness \& soundness}, it observes that the above type of evaluation focuses on completeness of the explanation, but ignores soundness. New evaluation metrics are introduced to capture both notions, while staying in an {\em intrinsic} framework -- i.e., using the dataset and the net, but no separately trained nets, human evaluations, etc. A simple saliency method is described that matches or outperforms prior methods in the evaluations. Experiments also suggest new intrinsic justifications, based on soundness, for popular heuristic tricks such as TV regularization and upsampling.
Grassmann Manifold Flows for Stable Shape Generation
Authors: Ryoma Yataka, Kazuki Hirashima, Masashi Shiraishi
Date: 2022-11-05 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Inductive Bias

Recently, studies on machine learning have focused on methods that use symmetry implicit in a specific manifold as an inductive bias. Grassmann manifolds provide the ability to handle fundamental shapes represented as shape spaces, enabling stable shape analysis. In this paper, we present a novel approach in which we establish the theoretical foundations for learning distributions on the Grassmann manifold via continuous normalization flows, with the explicit goal of generating stable shapes. Our approach facilitates more robust generation by effectively eliminating the influence of extraneous transformations, such as rotations and inversions, through learning and generating within a Grassmann manifold designed to accommodate the essential shape information of the object. The experimental results indicated that the proposed method could generate high-quality samples by capturing the data structure. Furthermore, the proposed method significantly outperformed state-of-the-art methods in terms of the log-likelihood or evidence lower bound. The results obtained are expected to stimulate further research in this field, leading to advances for stable shape generation and analysis.
Pitfalls of Climate Network Construction: A Statistical Perspective
Authors: Moritz Haas, Bedartha Goswami, Ulrike Von Luxburg
Date: 2022-11-05 00:00:00

Network-based analyses of dynamical systems have become increasingly popular in climate science. Here we address network construction from a statistical perspective and highlight the often ignored fact that the calculated correlation values are only empirical estimates. To measure spurious behaviour as deviation from a ground truth network, we simulate time-dependent isotropic random fields on the sphere and apply common network construction techniques. We find several ways in which the uncertainty stemming from the estimation procedure has major impact on network characteristics. When the data has locally coherent correlation structure, spurious link bundle teleconnections and spurious high-degree clusters have to be expected. Anisotropic estimation variance can also induce severe biases into empirical networks. We validate our findings with ERA5 reanalysis data. Moreover we explain why commonly applied resampling procedures are inappropriate for significance evaluation and propose a statistically more meaningful ensemble construction framework. By communicating which difficulties arise in estimation from scarce data and by presenting which design decisions increase robustness, we hope to contribute to more reliable climate network construction in the future.
Textual Manifold-based Defense Against Natural Language Adversarial Examples
Authors: Dang Minh Nguyen, Luu Anh Tuan
Date: 2022-11-05 00:00:00

Recent studies on adversarial images have shown that they tend to leave the underlying low-dimensional data manifold, making them significantly more challenging for current models to make correct predictions. This so-called off-manifold conjecture has inspired a novel line of defenses against adversarial attacks on images. In this study, we find a similar phenomenon occurs in the contextualized embedding space induced by pretrained language models, in which adversarial texts tend to have their embeddings diverge from the manifold of natural ones. Based on this finding, we propose Textual Manifold-based Defense (TMD), a defense mechanism that projects text embeddings onto an approximated embedding manifold before classification. It reduces the complexity of potential adversarial examples, which ultimately enhances the robustness of the protected model. Through extensive experiments, our method consistently and significantly outperforms previous defenses under various attack settings without trading off clean accuracy. To the best of our knowledge, this is the first NLP defense that leverages the manifold structure against adversarial attacks. Our code is available at \url{https://github.com/dangne/tmd}.
Improved Techniques for the Conditional Generative Augmentation of Clinical Audio Data
Authors: Mane Margaryan, Matthias Seibold, Indu Joshi, Mazda Farshad, Philipp Fürnstahl, Nassir Navab
Date: 2022-11-05 00:00:00
Tasks: Data Augmentation

Data augmentation is a valuable tool for the design of deep learning systems to overcome data limitations and stabilize the training process. Especially in the medical domain, where the collection of large-scale data sets is challenging and expensive due to limited access to patient data, relevant environments, as well as strict regulations, community-curated large-scale public datasets, pretrained models, and advanced data augmentation methods are the main factors for developing reliable systems to improve patient care. However, for the development of medical acoustic sensing systems, an emerging field of research, the community lacks large-scale publicly available data sets and pretrained models. To address the problem of limited data, we propose a conditional generative adversarial neural network-based augmentation method which is able to synthesize mel spectrograms from a learned data distribution of a source data set. In contrast to previously proposed fully convolutional models, the proposed model implements residual Squeeze and Excitation modules in the generator architecture. We show that our method outperforms all classical audio augmentation techniques and previously published generative methods in terms of generated sample quality and a performance improvement of 2.84% of Macro F1-Score for a classifier trained on the augmented data set, an enhancement of $1.14\%$ in relation to previous work. By analyzing the correlation of intermediate feature spaces, we show that the residual Squeeze and Excitation modules help the model to reduce redundancy in the latent features. Therefore, the proposed model advances the state-of-the-art in the augmentation of clinical audio data and improves the data bottleneck for the design of clinical acoustic sensing systems.
Inductive Graph Transformer for Delivery Time Estimation
Authors: Xin Zhou, Jinglong Wang, Yong liu, Xingyu Wu, Zhiqi Shen, Cyril Leung
Date: 2022-11-05 00:00:00
Tasks: Graph Neural Network

Providing accurate estimated time of package delivery on users' purchasing pages for e-commerce platforms is of great importance to their purchasing decisions and post-purchase experiences. Although this problem shares some common issues with the conventional estimated time of arrival (ETA), it is more challenging with the following aspects: 1) Inductive inference. Models are required to predict ETA for orders with unseen retailers and addresses; 2) High-order interaction of order semantic information. Apart from the spatio-temporal features, the estimated time also varies greatly with other factors, such as the packaging efficiency of retailers, as well as the high-order interaction of these factors. In this paper, we propose an inductive graph transformer (IGT) that leverages raw feature information and structural graph data to estimate package delivery time. Different from previous graph transformer architectures, IGT adopts a decoupled pipeline and trains transformer as a regression function that can capture the multiplex information from both raw feature and dense embeddings encoded by a graph neural network (GNN). In addition, we further simplify the GNN structure by removing its non-linear activation and the learnable linear transformation matrix. The reduced parameter search space and linear information propagation in the simplified GNN enable the IGT to be applied in large-scale industrial scenarios. Experiments on real-world logistics datasets show that our proposed model can significantly outperform the state-of-the-art methods on estimation of delivery time. The source code is available at: https://github.com/enoche/IGT-WSDM23.
Feature Selection for Classification with QAOA
Authors: Gloria Turati, Maurizio Ferrari Dacrema, Paolo Cremonesi
Date: 2022-11-05 00:00:00
Tasks: Classification, Combinatorial Optimization, feature selection

Feature selection is of great importance in Machine Learning, where it can be used to reduce the dimensionality of classification, ranking and prediction problems. The removal of redundant and noisy features can improve both the accuracy and scalability of the trained models. However, feature selection is a computationally expensive task with a solution space that grows combinatorically. In this work, we consider in particular a quadratic feature selection problem that can be tackled with the Quantum Approximate Optimization Algorithm (QAOA), already employed in combinatorial optimization. First we represent the feature selection problem with the QUBO formulation, which is then mapped to an Ising spin Hamiltonian. Then we apply QAOA with the goal of finding the ground state of this Hamiltonian, which corresponds to the optimal selection of features. In our experiments, we consider seven different real-world datasets with dimensionality up to 21 and run QAOA on both a quantum simulator and, for small datasets, the 7-qubit IBM (ibm-perth) quantum computer. We use the set of selected features to train a classification model and evaluate its accuracy. Our analysis shows that it is possible to tackle the feature selection problem with QAOA and that currently available quantum devices can be used effectively. Future studies could test a wider range of classification models as well as improve the effectiveness of QAOA by exploring better performing optimizers for its classical step.