pwc-archive/papers-with-abstracts huggingface dataset:
Framework Construction of an Adversarial Federated Transfer Learning Classifier
Authors: Hang Yi, Tongxuan Bie, Tongjiang Yan
Date: 2022-11-09 00:00:00
Tasks: Classification, Diagnostic, Edge-computing, Federated Learning, Generative Adversarial Network, image-classification, Image Classification, Medical Diagnosis, Transfer Learning

As the Internet grows in popularity, more and more classification jobs, such as IoT, finance industry and healthcare field, rely on mobile edge computing to advance machine learning. In the medical industry, however, good diagnostic accuracy necessitates the combination of large amounts of labeled data to train the model, which is difficult and expensive to collect and risks jeopardizing patients' privacy. In this paper, we offer a novel medical diagnostic framework that employs a federated learning platform to ensure patient data privacy by transferring classification algorithms acquired in a labeled domain to a domain with sparse or missing labeled data. Rather than using a generative adversarial network, our framework uses a discriminative model to build multiple classification loss functions with the goal of improving diagnostic accuracy. It also avoids the difficulty of collecting large amounts of labeled data or the high cost of generating large amount of sample data. Experiments on real-world image datasets demonstrates that the suggested adversarial federated transfer learning method is promising for real-world medical diagnosis applications that use image classification.
A survey of some recent developments in measures of association
Authors: Sourav Chatterjee
Date: 2022-11-09 00:00:00
Tasks: Survey

This paper surveys some recent developments in measures of association related to a new coefficient of correlation introduced by the author. A straightforward extension of this coefficient to standard Borel spaces (which includes all Polish spaces), overlooked in the literature so far, is proposed at the end of the survey.
Directional Privacy for Deep Learning
Authors: Pedro Faustini, Natasha Fernandes, Shakila Tonni, Annabelle McIver, Mark Dras
Date: 2022-11-09 00:00:00
Tasks: Deep Learning

Differentially Private Stochastic Gradient Descent (DP-SGD) is a key method for applying privacy in the training of deep learning models. It applies isotropic Gaussian noise to gradients during training, which can perturb these gradients in any direction, damaging utility. Metric DP, however, can provide alternative mechanisms based on arbitrary metrics that might be more suitable for preserving utility. In this paper, we apply \textit{directional privacy}, via a mechanism based on the von Mises-Fisher (VMF) distribution, to perturb gradients in terms of \textit{angular distance} so that gradient direction is broadly preserved. We show that this provides both $\epsilon$-DP and $\epsilon d$-privacy for deep learning training, rather than the $(\epsilon, \delta)$-privacy of the Gaussian mechanism. Experiments on key datasets then indicate that the VMF mechanism can outperform the Gaussian in the utility-privacy trade-off. In particular, our experiments provide a direct empirical comparison of privacy between the two approaches in terms of their ability to defend against reconstruction and membership inference.
Distributional Shift Adaptation using Domain-Specific Features
Authors: Anique Tahir, Lu Cheng, Ruocheng Guo, Huan Liu
Date: 2022-11-09 00:00:00

Machine learning algorithms typically assume that the training and test samples come from the same distributions, i.e., in-distribution. However, in open-world scenarios, streaming big data can be Out-Of-Distribution (OOD), rendering these algorithms ineffective. Prior solutions to the OOD challenge seek to identify invariant features across different training domains. The underlying assumption is that these invariant features should also work reasonably well in the unlabeled target domain. By contrast, this work is interested in the domain-specific features that include both invariant features and features unique to the target domain. We propose a simple yet effective approach that relies on correlations in general regardless of whether the features are invariant or not. Our approach uses the most confidently predicted samples identified by an OOD base model (teacher model) to train a new model (student model) that effectively adapts to the target domain. Empirical evaluations on benchmark datasets show that the performance is improved over the SOTA by ~10-20%
When is Momentum Extragradient Optimal? A Polynomial-Based Analysis
Authors: Junhyung Lyle Kim, Gauthier Gidel, Anastasios Kyrillidis, Fabian Pedregosa
Date: 2022-11-09 00:00:00

The extragradient method has gained popularity due to its robust convergence properties for differentiable games. Unlike single-objective optimization, game dynamics involve complex interactions reflected by the eigenvalues of the game vector field's Jacobian scattered across the complex plane. This complexity can cause the simple gradient method to diverge, even for bilinear games, while the extragradient method achieves convergence. Building on the recently proven accelerated convergence of the momentum extragradient method for bilinear games \citep{azizian2020accelerating}, we use a polynomial-based analysis to identify three distinct scenarios where this method exhibits further accelerated convergence. These scenarios encompass situations where the eigenvalues reside on the (positive) real line, lie on the real line alongside complex conjugates, or exist solely as complex conjugates. Furthermore, we derive the hyperparameters for each scenario that achieve the fastest convergence rate.
Variants of SGD for Lipschitz Continuous Loss Functions in Low-Precision Environments
Authors: Michael R. Metel
Date: 2022-11-09 00:00:00

Motivated by neural network training in low-precision arithmetic environments, this work studies the convergence of variants of SGD using adaptive step sizes with computational error. Considering a general stochastic Lipschitz continuous loss function, an asymptotic convergence result to a Clarke stationary point is proven as well as the non-asymptotic convergence to an approximate stationary point. It is assumed that only an approximation of the loss function's stochastic gradient can be computed in addition to error in computing the SGD step itself. Different variants of SGD are tested empirically, where improved test set accuracy is observed compared to SGD for two image recognition tasks.
Learning Optimal Graph Filters for Clustering of Attributed Graphs
Authors: Meiby Ortiz-Bouza, Selin Aviyente
Date: 2022-11-09 00:00:00
Tasks: Clustering, Graph Clustering

Many real-world systems can be represented as graphs where the different entities in the system are presented by nodes and their interactions by edges. An important task in studying large datasets with graphical structure is graph clustering. While there has been a lot of work on graph clustering using the connectivity between the nodes, many real-world networks also have node attributes. Clustering attributed graphs requires joint modeling of graph structure and node attributes. Recent work has focused on combining these two complementary sources of information through graph convolutional networks and graph filtering. However, these methods are mostly limited to lowpass filtering and do not explicitly learn the filter parameters for the clustering task. In this paper, we introduce a graph signal processing based approach, where we learn the parameters of Finite Impulse Response (FIR) and Autoregressive Moving Average (ARMA) graph filters optimized for clustering. The proposed approach is formulated as a two-step iterative optimization problem, focusing on learning interpretable graph filters that are optimal for the given data and that maximize the separation between different clusters. The proposed approach is evaluated on attributed networks and compared to the state-of-the-art methods.
Minimalist Data Wrangling with Python
Authors: Marek Gagolewski
Date: 2022-11-09 00:00:00
Tasks: Dimensionality Reduction

Minimalist Data Wrangling with Python is envisaged as a student's first introduction to data science, providing a high-level overview as well as discussing key concepts in detail. We explore methods for cleaning data gathered from different sources, transforming, selecting, and extracting features, performing exploratory data analysis and dimensionality reduction, identifying naturally occurring data clusters, modelling patterns in data, comparing data between groups, and reporting the results. This textbook is a non-profit project. Its online and PDF versions are freely available at https://datawranglingpy.gagolewski.com/.
MP-SeizNet: A Multi-Path CNN Bi-LSTM Network for Seizure-Type Classification Using EEG
Authors: Hezam Albaqami, Ghulam Mubashar Hassan, Amitava Datta
Date: 2022-11-09 00:00:00
Tasks: EEG, Electroencephalogram (EEG), Management

Seizure type identification is essential for the treatment and management of epileptic patients. However, it is a difficult process known to be time consuming and labor intensive. Automated diagnosis systems, with the advancement of machine learning algorithms, have the potential to accelerate the classification process, alert patients, and support physicians in making quick and accurate decisions. In this paper, we present a novel multi-path seizure-type classification deep learning network (MP-SeizNet), consisting of a convolutional neural network (CNN) and a bidirectional long short-term memory neural network (Bi-LSTM) with an attention mechanism. The objective of this study was to classify specific types of seizures, including complex partial, simple partial, absence, tonic, and tonic-clonic seizures, using only electroencephalogram (EEG) data. The EEG data is fed to our proposed model in two different representations. The CNN was fed with wavelet-based features extracted from the EEG signals, while the Bi-LSTM was fed with raw EEG signals to let our MP-SeizNet jointly learns from different representations of seizure data for more accurate information learning. The proposed MP-SeizNet was evaluated using the largest available EEG epilepsy database, the Temple University Hospital EEG Seizure Corpus, TUSZ v1.5.2. We evaluated our proposed model across different patient data using three-fold cross-validation and across seizure data using five-fold cross-validation, achieving F1 scores of 87.6% and 98.1%, respectively.
First principles physics-informed neural network for quantum wavefunctions and eigenvalue surfaces
Authors: Marios Mattheakis, Gabriel R. Schleder, Daniel T. Larson, Efthimios Kaxiras
Date: 2022-11-08 00:00:00

Physics-informed neural networks have been widely applied to learn general parametric solutions of differential equations. Here, we propose a neural network to discover parametric eigenvalue and eigenfunction surfaces of quantum systems. We apply our method to solve the hydrogen molecular ion. This is an ab-initio deep learning method that solves the Schrodinger equation with the Coulomb potential yielding realistic wavefunctions that include a cusp at the ion positions. The neural solutions are continuous and differentiable functions of the interatomic distance and their derivatives are analytically calculated by applying automatic differentiation. Such a parametric and analytical form of the solutions is useful for further calculations such as the determination of force fields.
System Safety Engineering for Social and Ethical ML Risks: A Case Study
Authors: Edgar W. Jatho III, Logan O. Mailloux, Shalaleh Rismani, Eugene D. Williams, Joshua A. Kroll
Date: 2022-11-08 00:00:00

Governments, industry, and academia have undertaken efforts to identify and mitigate harms in ML-driven systems, with a particular focus on social and ethical risks of ML components in complex sociotechnical systems. However, existing approaches are largely disjointed, ad-hoc and of unknown effectiveness. Systems safety engineering is a well established discipline with a track record of identifying and managing risks in many complex sociotechnical domains. We adopt the natural hypothesis that tools from this domain could serve to enhance risk analyses of ML in its context of use. To test this hypothesis, we apply a "best of breed" systems safety analysis, Systems Theoretic Process Analysis (STPA), to a specific high-consequence system with an important ML-driven component, namely the Prescription Drug Monitoring Programs (PDMPs) operated by many US States, several of which rely on an ML-derived risk score. We focus in particular on how this analysis can extend to identifying social and ethical risks and developing concrete design-level controls to mitigate them.
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators
Authors: Jenna A. Bilbrey, Kristina M. Herman, Henry Sprueill, Soritis S. Xantheas, Payel Das, Manuel Lopez Roldan, Mike Kraus, Hatem Helal, Sutanay Choudhury
Date: 2022-11-08 00:00:00
Tasks: GPU, Graph Neural Network, Transfer Learning

The demonstrated success of transfer learning has popularized approaches that involve pretraining models from massive data sources and subsequent finetuning towards a specific task. While such approaches have become the norm in fields such as natural language processing, implementation and evaluation of transfer learning approaches for chemistry are in the early stages. In this work, we demonstrate finetuning for downstream tasks on a graph neural network (GNN) trained over a molecular database containing 2.7 million water clusters. The use of Graphcore IPUs as an AI accelerator for training molecular GNNs reduces training time from a reported 2.7 days on 0.5M clusters to 1.2 hours on 2.7M clusters. Finetuning the pretrained model for downstream tasks of molecular dynamics and transfer to a different potential energy surface took only 8.3 hours and 28 minutes, respectively, on a single GPU.
Finite Sample Identification of Wide Shallow Neural Networks with Biases
Authors: Massimo Fornasier, Timo Klock, Marco Mondelli, Michael Rauchensteiner
Date: 2022-11-08 00:00:00

Artificial neural networks are functions depending on a finite number of parameters typically encoded as weights and biases. The identification of the parameters of the network from finite samples of input-output pairs is often referred to as the \emph{teacher-student model}, and this model has represented a popular framework for understanding training and generalization. Even if the problem is NP-complete in the worst case, a rapidly growing literature -- after adding suitable distributional assumptions -- has established finite sample identification of two-layer networks with a number of neurons $m=\mathcal O(D)$, $D$ being the input dimension. For the range $D<m<D^2$ the problem becomes harder, and truly little is known for networks parametrized by biases as well. This paper fills the gap by providing constructive methods and theoretical guarantees of finite sample identification for such wider shallow networks with biases. Our approach is based on a two-step pipeline: first, we recover the direction of the weights, by exploiting second order information; next, we identify the signs by suitable algebraic evaluations, and we recover the biases by empirical risk minimization via gradient descent. Numerical results demonstrate the effectiveness of our approach.
Towards Algorithmic Fairness in Space-Time: Filling in Black Holes
Authors: Cheryl Flynn, Aritra Guha, Subhabrata Majumdar, Divesh Srivastava, Zhengyi Zhou
Date: 2022-11-08 00:00:00
Tasks: Active Learning, Fairness, Transfer Learning

New technologies and the availability of geospatial data have drawn attention to spatio-temporal biases present in society. For example: the COVID-19 pandemic highlighted disparities in the availability of broadband service and its role in the digital divide; the environmental justice movement in the United States has raised awareness to health implications for minority populations stemming from historical redlining practices; and studies have found varying quality and coverage in the collection and sharing of open-source geospatial data. Despite the extensive literature on machine learning (ML) fairness, few algorithmic strategies have been proposed to mitigate such biases. In this paper we highlight the unique challenges for quantifying and addressing spatio-temporal biases, through the lens of use cases presented in the scientific literature and media. We envision a roadmap of ML strategies that need to be developed or adapted to quantify and overcome these challenges -- including transfer learning, active learning, and reinforcement learning techniques. Further, we discuss the potential role of ML in providing guidance to policy makers on issues related to spatial fairness.
A physics-aware deep learning model for energy localization in multiscale shock-to-detonation simulations of heterogeneous energetic materials
Authors: Phong C. H. Nguyen, Yen-Thi Nguyen, Pradeep K. Seshadri, Joseph B. Choi, H. S. Udaykumar, Stephen Baek
Date: 2022-11-08 00:00:00

Predictive simulations of the shock-to-detonation transition (SDT) in heterogeneous energetic materials (EM) are vital to the design and control of their energy release and sensitivity. Due to the complexity of the thermo-mechanics of EM during the SDT, both macro-scale response and sub-grid mesoscale energy localization must be captured accurately. This work proposes an efficient and accurate multiscale framework for SDT simulations of EM. We introduce a new approach for SDT simulation by using deep learning to model the mesoscale energy localization of shock-initiated EM microstructures. The proposed multiscale modeling framework is divided into two stages. First, a physics-aware recurrent convolutional neural network (PARC) is used to model the mesoscale energy localization of shock-initiated heterogeneous EM microstructures. PARC is trained using direct numerical simulations (DNS) of hotspot ignition and growth within microstructures of pressed HMX material subjected to different input shock strengths. After training, PARC is employed to supply hotspot ignition and growth rates for macroscale SDT simulations. We show that PARC can play the role of a surrogate model in a multiscale simulation framework, while drastically reducing the computation cost and providing improved representations of the sub-grid physics. The proposed multiscale modeling approach will provide a new tool for material scientists in designing high-performance and safer energetic materials.
OutlierDetection.jl: A modular outlier detection ecosystem for the Julia programming language
Authors: David Muhr, Michael Affenzeller, Anthony D. Blaom
Date: 2022-11-08 00:00:00
Tasks: Outlier Detection

OutlierDetection.jl is an open-source ecosystem for outlier detection in Julia. It provides a range of high-performance outlier detection algorithms implemented directly in Julia. In contrast to previous packages, our ecosystem enables the development highly-scalable outlier detection algorithms using a high-level programming language. Additionally, it provides a standardized, yet flexible, interface for future outlier detection algorithms and allows for model composition unseen in previous packages. Best practices such as unit testing, continuous integration, and code coverage reporting are enforced across the ecosystem. The most recent version of OutlierDetection.jl is available at https://github.com/OutlierDetectionJL/OutlierDetection.jl.
Physics-informed inference of aerial animal movements from weather radar data
Authors: Fiona Lippert, Bart Kranstauber, E. Emiel van Loon, Patrick Forré
Date: 2022-11-08 00:00:00
Tasks: Decoder

Studying animal movements is essential for effective wildlife conservation and conflict mitigation. For aerial movements, operational weather radars have become an indispensable data source in this respect. However, partial measurements, incomplete spatial coverage, and poor understanding of animal behaviours make it difficult to reconstruct complete spatio-temporal movement patterns from available radar data. We tackle this inverse problem by learning a mapping from high-dimensional radar measurements to low-dimensional latent representations using a convolutional encoder. Under the assumption that the latent system dynamics are well approximated by a locally linear Gaussian transition model, we perform efficient posterior estimation using the classical Kalman smoother. A convolutional decoder maps the inferred latent system states back to the physical space in which the known radar observation model can be applied, enabling fully unsupervised training. To encourage physical consistency, we additionally introduce a physics-informed loss term that leverages known mass conservation constraints. Our experiments on synthetic radar data show promising results in terms of reconstruction quality and data-efficiency.
Creating a Safety Assurance Case for an ML Satellite-Based Wildfire Detection and Alert System
Authors: Richard Hawkins, Chiara Picardi, Lucy Donnell, Murray Ireland
Date: 2022-11-08 00:00:00

Wildfires are a common problem in many areas of the world with often catastrophic consequences. A number of systems have been created to provide early warnings of wildfires, including those that use satellite data to detect fires. The increased availability of small satellites, such as CubeSats, allows the wildfire detection response time to be reduced by deploying constellations of multiple satellites over regions of interest. By using machine learned components on-board the satellites, constraints which limit the amount of data that can be processed and sent back to ground stations can be overcome. There are hazards associated with wildfire alert systems, such as failing to detect the presence of a wildfire, or detecting a wildfire in the incorrect location. It is therefore necessary to be able to create a safety assurance case for the wildfire alert ML component that demonstrates it is sufficiently safe for use. This paper describes in detail how a safety assurance case for an ML wildfire alert system is created. This represents the first fully developed safety case for an ML component containing explicit argument and evidence as to the safety of the machine learning.
Differentiable Quantum Programming with Unbounded Loops
Authors: Wang Fang, Mingsheng Ying, Xiaodi Wu
Date: 2022-11-08 00:00:00
Tasks: Probabilistic Programming

The emergence of variational quantum applications has led to the development of automatic differentiation techniques in quantum computing. Recently, Zhu et al. (PLDI 2020) have formulated differentiable quantum programming with bounded loops, providing a framework for scalable gradient calculation by quantum means for training quantum variational applications. However, promising parameterized quantum applications, e.g., quantum walk and unitary implementation, cannot be trained in the existing framework due to the natural involvement of unbounded loops. To fill in the gap, we provide the first differentiable quantum programming framework with unbounded loops, including a newly designed differentiation rule, code transformation, and their correctness proof. Technically, we introduce a randomized estimator for derivatives to deal with the infinite sum in the differentiation of unbounded loops, whose applicability in classical and probabilistic programming is also discussed. We implement our framework with Python and Q#, and demonstrate a reasonable sample efficiency. Through extensive case studies, we showcase an exciting application of our framework in automatically identifying close-to-optimal parameters for several parameterized quantum applications.