pwc-archive/papers-with-abstracts huggingface dataset:
Multiphysics discovery with moving boundaries using Ensemble SINDy and Peridynamic Differential Operator
Authors: A. C. Bekar, E. Haghighat, E. Madenci
Date: 2023-03-27 00:00:00
Tasks: Inductive Bias

This study proposes a novel framework for learning the underlying physics of phenomena with moving boundaries. The proposed approach combines Ensemble SINDy and Peridynamic Differential Operator (PDDO) and imposes an inductive bias assuming the moving boundary physics evolve in its own corotational coordinate system. The robustness of the approach is demonstrated by considering various levels of noise in the measured data using the 2D Fisher-Stefan model. The confidence intervals of recovered coefficients are listed, and the uncertainties of the moving boundary positions are depicted by obtaining the solutions with the recovered coefficients. Although the main focus of this study is the Fisher-Stefan model, the proposed approach is applicable to any type of moving boundary problem with a smooth moving boundary front without a mushy region. The code and data for this framework is available at: https://github.com/alicanbekar/MB_PDDO-SINDy.
A Framework for Demonstrating Practical Quantum Advantage: Racing Quantum against Classical Generative Models
Authors: Mohamed Hibat-Allah, Marta Mauri, Juan Carrasquilla, Alejandro Perdomo-Ortiz
Date: 2023-03-27 00:00:00
Tasks: Quantum Machine Learning

Generative modeling has seen a rising interest in both classical and quantum machine learning, and it represents a promising candidate to obtain a practical quantum advantage in the near term. In this study, we build over a proposed framework for evaluating the generalization performance of generative models, and we establish the first quantitative comparative race towards practical quantum advantage (PQA) between classical and quantum generative models, namely Quantum Circuit Born Machines (QCBMs), Transformers (TFs), Recurrent Neural Networks (RNNs), Variational Autoencoders (VAEs), and Wasserstein Generative Adversarial Networks (WGANs). After defining four types of PQAs scenarios, we focus on what we refer to as potential PQA, aiming to compare quantum models with the best-known classical algorithms for the task at hand. We let the models race on a well-defined and application-relevant competition setting, where we illustrate and demonstrate our framework on 20 variables (qubits) generative modeling task. Our results suggest that QCBMs are more efficient in the data-limited regime than the other state-of-the-art classical generative models. Such a feature is highly desirable in a wide range of real-world applications where the available data is scarce.
Online Learning for Incentive-Based Demand Response
Authors: Deepan Muthirayan, Pramod P. Khargonekar
Date: 2023-03-27 00:00:00
Tasks: counterfactual

In this paper, we consider the problem of learning online to manage Demand Response (DR) resources. A typical DR mechanism requires the DR manager to assign a baseline to the participating consumer, where the baseline is an estimate of the counterfactual consumption of the consumer had it not been called to provide the DR service. A challenge in estimating baseline is the incentive the consumer has to inflate the baseline estimate. We consider the problem of learning online to estimate the baseline and to optimize the operating costs over a period of time under such incentives. We propose an online learning scheme that employs least-squares for estimation with a perturbation to the reward price (for the DR services or load curtailment) that is designed to balance the exploration and exploitation trade-off that arises with online learning. We show that, our proposed scheme is able to achieve a very low regret of $\mathcal{O}\left((\log{T})^2\right)$ with respect to the optimal operating cost over $T$ days of the DR program with full knowledge of the baseline, and is individually rational for the consumers to participate. Our scheme is significantly better than the averaging type approach, which only fetches $\mathcal{O}(T^{1/3})$ regret.
HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations
Authors: Derek Jones, Jonathan E. Allen, Xiaohua Zhang, Behnam Khaleghi, Jaeyoung Kang, Weihong Xu, Niema Moshiri, Tajana S. Rosing
Date: 2023-03-27 00:00:00
Tasks: Molecular Docking, Molecular Property Prediction, molecular representation, Property Prediction, Representation Learning

Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying ``hit'' molecules from a large collection of potential drug-like candidates have relied on biophysical theory to compute approximations to the Gibbs free energy of the binding interaction between the drug to its protein target. A major drawback of the approaches is that they require exceptional computing capabilities to consider for even relatively small collections of molecules. Hyperdimensional Computing (HDC) is a recently proposed learning paradigm that is able to leverage low-precision binary vector arithmetic to build efficient representations of the data that can be obtained without the need for gradient-based optimization approaches that are required in many conventional machine learning and deep learning approaches. This algorithmic simplicity allows for acceleration in hardware that has been previously demonstrated for a range of application areas. We consider existing HDC approaches for molecular property classification and introduce two novel encoding algorithms that leverage the extended connectivity fingerprint (ECFP) algorithm. We show that HDC-based inference methods are as much as 90 times more efficient than more complex representative machine learning methods and achieve an acceleration of nearly 9 orders of magnitude as compared to inference with molecular docking. We demonstrate multiple approaches for the encoding of molecular data for HDC and examine their relative performance on a range of challenging molecular property prediction and drug-protein binding classification tasks. Our work thus motivates further investigation into molecular representation learning to develop ultra-efficient pre-screening tools.
Uncovering Bias in Personal Informatics
Authors: Sofia Yfantidou, Pavlos Sermpezis, Athena Vakali, Ricardo Baeza-Yates
Date: 2023-03-27 00:00:00

Personal informatics (PI) systems, powered by smartphones and wearables, enable people to lead healthier lifestyles by providing meaningful and actionable insights that break down barriers between users and their health information. Today, such systems are used by billions of users for monitoring not only physical activity and sleep but also vital signs and women's and heart health, among others. Despite their widespread usage, the processing of sensitive PI data may suffer from biases, which may entail practical and ethical implications. In this work, we present the first comprehensive empirical and analytical study of bias in PI systems, including biases in raw data and in the entire machine learning life cycle. We use the most detailed framework to date for exploring the different sources of bias and find that biases exist both in the data generation and the model learning and implementation streams. According to our results, the most affected minority groups are users with health issues, such as diabetes, joint issues, and hypertension, and female users, whose data biases are propagated or even amplified by learning models, while intersectional biases can also be observed.
Beyond Accuracy: A Critical Review of Fairness in Machine Learning for Mobile and Wearable Computing
Authors: Sofia Yfantidou, Marios Constantinides, Dimitris Spathis, Athena Vakali, Daniele Quercia, Fahim Kawsar
Date: 2023-03-27 00:00:00
Tasks: Ethics, Fairness

The field of mobile and wearable computing is undergoing a revolutionary integration of machine learning. Devices can now diagnose diseases, predict heart irregularities, and unlock the full potential of human cognition. However, the underlying algorithms powering these predictions are not immune to biases with respect to sensitive attributes (e.g., gender, race), leading to discriminatory outcomes. The goal of this work is to explore the extent to which the mobile and wearable computing community has adopted ways of reporting information about datasets and models to surface and, eventually, counter biases. Our systematic review of papers published in the Proceedings of the ACM Interactive, Mobile, Wearable and Ubiquitous Technologies (IMWUT) journal from 2018-2022 indicates that, while there has been progress made on algorithmic fairness, there is still ample room for growth. Our findings show that only a small portion (5%) of published papers adheres to modern fairness reporting, while the overwhelming majority thereof focuses on accuracy or error metrics. To generalize these results across venues of similar scope, we analyzed recent proceedings of ACM MobiCom, MobiSys, and SenSys, IEEE Pervasive, and IEEE Transactions on Mobile Computing Computing, and found no deviation from our primary result. In light of these findings, our work provides practical guidelines for the design and development of mobile and wearable technologies that not only strive for accuracy but also fairness.
Adjusted Wasserstein Distributionally Robust Estimator in Statistical Learning
Authors: Yiling Xie, Xiaoming Huo
Date: 2023-03-27 00:00:00
Tasks: regression

We propose an adjusted Wasserstein distributionally robust estimator -- based on a nonlinear transformation of the Wasserstein distributionally robust (WDRO) estimator in statistical learning. The classic WDRO estimator is asymptotically biased, while our adjusted WDRO estimator is asymptotically unbiased, resulting in a smaller asymptotic mean squared error. Further, under certain conditions, our proposed adjustment technique provides a general principle to de-bias asymptotically biased estimators. Specifically, we will investigate how the adjusted WDRO estimator is developed in the generalized linear model, including logistic regression, linear regression, and Poisson regression. Numerical experiments demonstrate the favorable practical performance of the adjusted estimator over the classic one.
Online Non-Destructive Moisture Content Estimation of Filter Media During Drying Using Artificial Neural Networks
Authors: Christian Remi Wewer, Alexandros Iosifidis
Date: 2023-03-27 00:00:00

Moisture content (MC) estimation is important in the manufacturing process of drying bulky filter media products as it is the prerequisite for drying optimization. In this study, a dataset collected by performing 161 drying industrial experiments is described and a methodology for MC estimation in an non-destructive and online manner during industrial drying is presented. An artificial neural network (ANN) based method is compared to state-of-the-art MC estimation methods reported in the literature. Results of model fitting and training show that a three-layer Perceptron achieves the lowest error. Experimental results show that ANNs combined with oven settings data, drying time and product temperature can be used to reliably estimate the MC of bulky filter media products.
Core-Periphery Principle Guided Redesign of Self-Attention in Transformers
Authors: Xiaowei Yu, Lu Zhang, Haixing Dai, Yanjun Lyu, Lin Zhao, Zihao Wu, David Liu, Tianming Liu, Dajiang Zhu
Date: 2023-03-27 00:00:00

Designing more efficient, reliable, and explainable neural network architectures is critical to studies that are based on artificial intelligence (AI) techniques. Previous studies, by post-hoc analysis, have found that the best-performing ANNs surprisingly resemble biological neural networks (BNN), which indicates that ANNs and BNNs may share some common principles to achieve optimal performance in either machine learning or cognitive/behavior tasks. Inspired by this phenomenon, we proactively instill organizational principles of BNNs to guide the redesign of ANNs. We leverage the Core-Periphery (CP) organization, which is widely found in human brain networks, to guide the information communication mechanism in the self-attention of vision transformer (ViT) and name this novel framework as CP-ViT. In CP-ViT, the attention operation between nodes is defined by a sparse graph with a Core-Periphery structure (CP graph), where the core nodes are redesigned and reorganized to play an integrative role and serve as a center for other periphery nodes to exchange information. We evaluated the proposed CP-ViT on multiple public datasets, including medical image datasets (INbreast) and natural image datasets. Interestingly, by incorporating the BNN-derived principle (CP structure) into the redesign of ViT, our CP-ViT outperforms other state-of-the-art ANNs. In general, our work advances the state of the art in three aspects: 1) This work provides novel insights for brain-inspired AI: we can utilize the principles found in BNNs to guide and improve our ANN architecture design; 2) We show that there exist sweet spots of CP graphs that lead to CP-ViTs with significantly improved performance; and 3) The core nodes in CP-ViT correspond to task-related meaningful and important image patches, which can significantly enhance the interpretability of the trained deep model.
Privacy-preserving machine learning for healthcare: open challenges and future perspectives
Authors: Alejandro Guerra-Manzanares, L. Julian Lechuga Lopez, Michail Maniatakos, Farah E. Shamout
Date: 2023-03-27 00:00:00
Tasks: Privacy Preserving, Prognosis

Machine Learning (ML) has recently shown tremendous success in modeling various healthcare prediction tasks, ranging from disease diagnosis and prognosis to patient treatment. Due to the sensitive nature of medical data, privacy must be considered along the entire ML pipeline, from model training to inference. In this paper, we conduct a review of recent literature concerning Privacy-Preserving Machine Learning (PPML) for healthcare. We primarily focus on privacy-preserving training and inference-as-a-service, and perform a comprehensive review of existing trends, identify challenges, and discuss opportunities for future research directions. The aim of this review is to guide the development of private and efficient ML models in healthcare, with the prospects of translating research efforts into real-world settings.
Multi-Flow Transmission in Wireless Interference Networks: A Convergent Graph Learning Approach
Authors: Raz Paul, Kobi Cohen, Gil Kedar
Date: 2023-03-27 00:00:00
Tasks: Graph Learning, Graph Neural Network, Reinforcement Learning (RL)

We consider the problem of of multi-flow transmission in wireless networks, where data signals from different flows can interfere with each other due to mutual interference between links along their routes, resulting in reduced link capacities. The objective is to develop a multi-flow transmission strategy that routes flows across the wireless interference network to maximize the network utility. However, obtaining an optimal solution is computationally expensive due to the large state and action spaces involved. To tackle this challenge, we introduce a novel algorithm called Dual-stage Interference-Aware Multi-flow Optimization of Network Data-signals (DIAMOND). The design of DIAMOND allows for a hybrid centralized-distributed implementation, which is a characteristic of 5G and beyond technologies with centralized unit deployments. A centralized stage computes the multi-flow transmission strategy using a novel design of graph neural network (GNN) reinforcement learning (RL) routing agent. Then, a distributed stage improves the performance based on a novel design of distributed learning updates. We provide a theoretical analysis of DIAMOND and prove that it converges to the optimal multi-flow transmission strategy as time increases. We also present extensive simulation results over various network topologies (random deployment, NSFNET, GEANT2), demonstrating the superior performance of DIAMOND compared to existing methods.
Real-Time Bus Arrival Prediction: A Deep Learning Approach for Enhanced Urban Mobility
Authors: Narges Rashvand, Sanaz Sadat Hosseini, Mona Azarbayjani, Hamed Tabkhi
Date: 2023-03-27 00:00:00

In urban settings, bus transit stands as a significant mode of public transportation, yet faces hurdles in delivering accurate and reliable arrival times. This discrepancy often culminates in delays and a decline in ridership, particularly in areas with a heavy reliance on bus transit. A prevalent challenge is the mismatch between actual bus arrival times and their scheduled counterparts, leading to disruptions in fixed schedules. Our study, utilizing New York City bus data, reveals an average delay of approximately eight minutes between scheduled and actual bus arrival times. This research introduces an innovative, AI-based, data-driven methodology for predicting bus arrival times at various transit points (stations), offering a collective prediction for all bus lines within large metropolitan areas. Through the deployment of a fully connected neural network, our method elevates the accuracy and efficiency of public bus transit systems. Our comprehensive evaluation encompasses over 200 bus lines and 2 million data points, showcasing an error margin of under 40 seconds for arrival time estimates. Additionally, the inference time for each data point in the validation set is recorded at below 0.006 ms, demonstrating the potential of our Neural-Net-based approach in substantially enhancing the punctuality and reliability of bus transit systems.
Graph Neural Networks for Power Allocation in Wireless Networks with Full Duplex Nodes
Authors: Lili Chen, Jingge Zhu, Jamie Evans
Date: 2023-03-27 00:00:00
Tasks: Graph Neural Network

Due to mutual interference between users, power allocation problems in wireless networks are often non-convex and computationally challenging. Graph neural networks (GNNs) have recently emerged as a promising approach to tackling these problems and an approach that exploits the underlying topology of wireless networks. In this paper, we propose a novel graph representation method for wireless networks that include full-duplex (FD) nodes. We then design a corresponding FD Graph Neural Network (F-GNN) with the aim of allocating transmit powers to maximise the network throughput. Our results show that our F-GNN achieves state-of-art performance with significantly less computation time. Besides, F-GNN offers an excellent trade-off between performance and complexity compared to classical approaches. We further refine this trade-off by introducing a distance-based threshold for inclusion or exclusion of edges in the network. We show that an appropriately chosen threshold reduces required training time by roughly 20% with a relatively minor loss in performance.
On the Importance of Feature Separability in Predicting Out-Of-Distribution Error
Date: 2023-03-27 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Computational Efficiency, Representation Learning

Estimating the generalization performance is practically challenging on out-of-distribution (OOD) data without ground-truth labels. While previous methods emphasize the connection between distribution difference and OOD accuracy, we show that a large domain gap not necessarily leads to a low test accuracy. In this paper, we investigate this problem from the perspective of feature separability empirically and theoretically. Specifically, we propose a dataset-level score based upon feature dispersion to estimate the test accuracy under distribution shift. Our method is inspired by desirable properties of features in representation learning: high inter-class dispersion and high intra-class compactness. Our analysis shows that inter-class dispersion is strongly correlated with the model accuracy, while intra-class compactness does not reflect the generalization performance on OOD data. Extensive experiments demonstrate the superiority of our method in both prediction performance and computational efficiency.
Unimodal Training-Multimodal Prediction: Cross-modal Federated Learning with Hierarchical Aggregation
Authors: Rongyu Zhang, Xiaowei Chi, Guiliang Liu, Wenyi Zhang, Yuan Du, Fangxin Wang
Date: 2023-03-27 00:00:00
Tasks: Decoder, Federated Learning, Sentiment Analysis

Multimodal learning has seen great success mining data features from multiple modalities with remarkable model performance improvement. Meanwhile, federated learning (FL) addresses the data sharing problem, enabling privacy-preserved collaborative training to provide sufficient precious data. Great potential, therefore, arises with the confluence of them, known as multimodal federated learning. However, limitation lies in the predominant approaches as they often assume that each local dataset records samples from all modalities. In this paper, we aim to bridge this gap by proposing an Unimodal Training - Multimodal Prediction (UTMP) framework under the context of multimodal federated learning. We design HA-Fedformer, a novel transformer-based model that empowers unimodal training with only a unimodal dataset at the client and multimodal testing by aggregating multiple clients' knowledge for better accuracy. The key advantages are twofold. Firstly, to alleviate the impact of data non-IID, we develop an uncertainty-aware aggregation method for the local encoders with layer-wise Markov Chain Monte Carlo sampling. Secondly, to overcome the challenge of unaligned language sequence, we implement a cross-modal decoder aggregation to capture the hidden signal correlation between decoders trained by data from different modalities. Our experiments on popular sentiment analysis benchmarks, CMU-MOSI and CMU-MOSEI, demonstrate that HA-Fedformer significantly outperforms state-of-the-art multimodal models under the UTMP federated learning frameworks, with 15%-20% improvement on most attributes.
Common Subexpression-based Compression and Multiplication of Sparse Constant Matrices
Authors: Emre Bilgili, Arda Yurdakul
Date: 2023-03-26 00:00:00

In deep learning inference, model parameters are pruned and quantized to reduce the model size. Compression methods and common subexpression (CSE) elimination algorithms are applied on sparse constant matrices to deploy the models on low-cost embedded devices. However, the state-of-the-art CSE elimination methods do not scale well for handling large matrices. They reach hours for extracting CSEs in a $200 \times 200$ matrix while their matrix multiplication algorithms execute longer than the conventional matrix multiplication methods. Besides, there exist no compression methods for matrices utilizing CSEs. As a remedy to this problem, a random search-based algorithm is proposed in this paper to extract CSEs in the column pairs of a constant matrix. It produces an adder tree for a $1000 \times 1000$ matrix in a minute. To compress the adder tree, this paper presents a compression format by extending the Compressed Sparse Row (CSR) to include CSEs. While compression rates of more than $50\%$ can be achieved compared to the original CSR format, simulations for a single-core embedded system show that the matrix multiplication execution time can be reduced by $20\%$.