pwc-archive/papers-with-abstracts huggingface dataset:
Unrolling SVT to obtain computationally efficient SVT for n-qubit quantum state tomography
Authors: Siva Shanmugam, Sheetal Kalyani
Date: 2022-12-17 00:00:00
Tasks: Compressive Sensing, Quantum State Tomography, Rolling Shutter Correction

Quantum state tomography aims to estimate the state of a quantum mechanical system which is described by a trace one, Hermitian positive semidefinite complex matrix, given a set of measurements of the state. Existing works focus on estimating the density matrix that represents the state, using a compressive sensing approach, with only fewer measurements than that required for a tomographically complete set, with the assumption that the true state has a low rank. One very popular method to estimate the state is the use of the Singular Value Thresholding (SVT) algorithm. In this work, we present a machine learning approach to estimate the quantum state of n-qubit systems by unrolling the iterations of SVT which we call Learned Quantum State Tomography (LQST). As merely unrolling SVT may not ensure that the output of the network meets the constraints required for a quantum state, we design and train a custom neural network whose architecture is inspired from the iterations of SVT with additional layers to meet the required constraints. We show that our proposed LQST with very few layers reconstructs the density matrix with much better fidelity than the SVT algorithm which takes many hundreds of iterations to converge. We also demonstrate the reconstruction of the quantum Bell state from an informationally incomplete set of noisy measurements.
Molecule optimization via multi-objective evolutionary in implicit chemical space
Authors: Xin Xia, Yansen Su, ChunHou Zheng, Xiangxiang Zeng
Date: 2022-12-17 00:00:00

Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce labeled data remains a challenge for machine learning molecule optimization. In this study, we propose MOMO, a multi-objective molecule optimization framework to address the challenge by combining learning of chemical knowledge with Pareto-based multi-objective evolutionary search. To learn chemistry, it employs a self-supervised codec to construct an implicit chemical space and acquire the continues representation of molecules. To explore the established chemical space, MOMO uses multi-objective evolution to comprehensively and efficiently search for similar molecules with multiple desirable properties. We demonstrate the high performance of MOMO on four multi-objective property and similarity optimization tasks, and illustrate the search capability of MOMO through case studies. Remarkably, our approach significantly outperforms previous approaches in optimizing three objectives simultaneously. The results show the optimization capability of MOMO, suggesting to improve the success rate of lead molecule optimization.
Leveraging Wastewater Monitoring for COVID-19 Forecasting in the US: a Deep Learning study
Authors: Mehrdad Fazli, Heman Shakeri
Date: 2022-12-17 00:00:00

The outburst of COVID-19 in late 2019 was the start of a health crisis that shook the world and took millions of lives in the ensuing years. Many governments and health officials failed to arrest the rapid circulation of infection in their communities. The long incubation period and the large proportion of asymptomatic cases made COVID-19 particularly elusive to track. However, wastewater monitoring soon became a promising data source in addition to conventional indicators such as confirmed daily cases, hospitalizations, and deaths. Despite the consensus on the effectiveness of wastewater viral load data, there is a lack of methodological approaches that leverage viral load to improve COVID-19 forecasting. This paper proposes using deep learning to automatically discover the relationship between daily confirmed cases and viral load data. We trained one Deep Temporal Convolutional Networks (DeepTCN) and one Temporal Fusion Transformer (TFT) model to build a global forecasting model. We supplement the daily confirmed cases with viral loads and other socio-economic factors as covariates to the models. Our results suggest that TFT outperforms DeepTCN and learns a better association between viral load and daily cases. We demonstrated that equipping the models with the viral load improves their forecasting performance significantly. Moreover, viral load is shown to be the second most predictive input, following the containment and health index. Our results reveal the feasibility of training a location-agnostic deep-learning model to capture the dynamics of infection diffusion when wastewater viral load data is provided.
Two-Scale Gradient Descent Ascent Dynamics Finds Mixed Nash Equilibria of Continuous Games: A Mean-Field Perspective
Authors: Yulong Lu
Date: 2022-12-17 00:00:00

Finding the mixed Nash equilibria (MNE) of a two-player zero sum continuous game is an important and challenging problem in machine learning. A canonical algorithm to finding the MNE is the noisy gradient descent ascent method which in the infinite particle limit gives rise to the {\em Mean-Field Gradient Descent Ascent} (GDA) dynamics on the space of probability measures. In this paper, we first study the convergence of a two-scale Mean-Field GDA dynamics for finding the MNE of the entropy-regularized objective. More precisely we show that for each finite temperature (or regularization parameter), the two-scale Mean-Field GDA with a suitable {\em finite} scale ratio converges exponentially to the unique MNE without assuming the convexity or concavity of the interaction potential. The key ingredient of our proof lies in the construction of new Lyapunov functions that dissipate exponentially along the Mean-Field GDA. We further study the simulated annealing of the Mean-Field GDA dynamics. We show that with a temperature schedule that decays logarithmically in time the annealed Mean-Field GDA converges to the MNE of the original unregularized objective.
Assign Experiment Variants at Scale in Online Controlled Experiments
Authors: Qike Li, Samir Jamkhande, Pavel Kochetkov, Pai Liu
Date: 2022-12-17 00:00:00
Tasks: Attribute

Online controlled experiments (A/B tests) have become the gold standard for learning the impact of new product features in technology companies. Randomization enables the inference of causality from an A/B test. The randomized assignment maps end users to experiment buckets and balances user characteristics between the groups. Therefore, experiments can attribute any outcome differences between the experiment groups to the product feature under experiment. Technology companies run A/B tests at scale -- hundreds if not thousands of A/B tests concurrently, each with millions of users. The large scale poses unique challenges to randomization. First, the randomized assignment must be fast since the experiment service receives hundreds of thousands of queries per second. Second, the variant assignments must be independent between experiments. Third, the assignment must be consistent when users revisit or an experiment enrolls more users. We present a novel assignment algorithm and statistical tests to validate the randomized assignments. Our results demonstrate that not only is this algorithm computationally fast but also satisfies the statistical requirements -- unbiased and independent.
Improving Levenberg-Marquardt Algorithm for Neural Networks
Authors: Omead Pooladzandi, Yiming Zhou
Date: 2022-12-17 00:00:00
Tasks: regression

We explore the usage of the Levenberg-Marquardt (LM) algorithm for regression (non-linear least squares) and classification (generalized Gauss-Newton methods) tasks in neural networks. We compare the performance of the LM method with other popular first-order algorithms such as SGD and Adam, as well as other second-order algorithms such as L-BFGS , Hessian-Free and KFAC. We further speed up the LM method by using adaptive momentum, learning rate line search, and uphill step acceptance.
Latent Variable Representation for Reinforcement Learning
Authors: Tongzheng Ren, Chenjun Xiao, Tianjun Zhang, Na Li, Zhaoran Wang, Sujay Sanghavi, Dale Schuurmans, Bo Dai
Date: 2022-12-17 00:00:00
Tasks: Model-based Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Deep latent variable models have achieved significant empirical successes in model-based reinforcement learning (RL) due to their expressiveness in modeling complex transition dynamics. On the other hand, it remains unclear theoretically and empirically how latent variable models may facilitate learning, planning, and exploration to improve the sample efficiency of RL. In this paper, we provide a representation view of the latent variable models for state-action value functions, which allows both tractable variational learning algorithm and effective implementation of the optimism/pessimism principle in the face of uncertainty for exploration. In particular, we propose a computationally efficient planning algorithm with UCB exploration by incorporating kernel embeddings of latent variable models. Theoretically, we establish the sample complexity of the proposed approach in the online and offline settings. Empirically, we demonstrate superior performance over current state-of-the-art algorithms across various benchmarks.
Short-term Prediction of Household Electricity Consumption Using Customized LSTM and GRU Models
Authors: Saad Emshagin, Wayes Koroni Halim, Rasha Kashef
Date: 2022-12-16 00:00:00
Tasks: Time Series, Time Series Analysis

With the evolution of power systems as it is becoming more intelligent and interactive system while increasing in flexibility with a larger penetration of renewable energy sources, demand prediction on a short-term resolution will inevitably become more and more crucial in designing and managing the future grid, especially when it comes to an individual household level. Projecting the demand for electricity for a single energy user, as opposed to the aggregated power consumption of residential load on a wide scale, is difficult because of a considerable number of volatile and uncertain factors. This paper proposes a customized GRU (Gated Recurrent Unit) and Long Short-Term Memory (LSTM) architecture to address this challenging problem. LSTM and GRU are comparatively newer and among the most well-adopted deep learning approaches. The electricity consumption datasets were obtained from individual household smart meters. The comparison shows that the LSTM model performs better for home-level forecasting than alternative prediction techniques-GRU in this case. To compare the NN-based models with contrast to the conventional statistical technique-based model, ARIMA based model was also developed and benchmarked with LSTM and GRU model outcomes in this study to show the performance of the proposed model on the collected time series data.
Toward cross-subject and cross-session generalization in EEG-based emotion recognition: Systematic review, taxonomy, and methods
Authors: Andrea Apicella, Pasquale Arpaia, Giovanni D'Errico, Davide Marocco, Giovanna Mastrati, Nicola Moccaldi, Roberto Prevete
Date: 2022-12-16 00:00:00
Tasks: EEG, Electroencephalogram (EEG), Emotion Classification, Emotion Recognition, Transfer Learning

A systematic review on machine-learning strategies for improving generalizability (cross-subjects and cross-sessions) electroencephalography (EEG) based in emotion classification was realized. In this context, the non-stationarity of EEG signals is a critical issue and can lead to the Dataset Shift problem. Several architectures and methods have been proposed to address this issue, mainly based on transfer learning methods. 418 papers were retrieved from the Scopus, IEEE Xplore and PubMed databases through a search query focusing on modern machine learning techniques for generalization in EEG-based emotion assessment. Among these papers, 75 were found eligible based on their relevance to the problem. Studies lacking a specific cross-subject and cross-session validation strategy and making use of other biosignals as support were excluded. On the basis of the selected papers' analysis, a taxonomy of the studies employing Machine Learning (ML) methods was proposed, together with a brief discussion on the different ML approaches involved. The studies with the best results in terms of average classification accuracy were identified, supporting that transfer learning methods seem to perform better than other approaches. A discussion is proposed on the impact of (i) the emotion theoretical models and (ii) psychological screening of the experimental sample on the classifier performances.
Addressing Data Heterogeneity in Decentralized Learning via Topological Pre-processing
Authors: Waqwoya Abebe, Ali Jannesari
Date: 2022-12-16 00:00:00

Recently, local peer topology has been shown to influence the overall convergence of decentralized learning (DL) graphs in the presence of data heterogeneity. In this paper, we demonstrate the advantages of constructing a proxy-based locally heterogeneous DL topology to enhance convergence and maintain data privacy. In particular, we propose a novel peer clumping strategy to efficiently cluster peers before arranging them in a final training graph. By showing how locally heterogeneous graphs outperform locally homogeneous graphs of similar size and from the same global data distribution, we present a strong case for topological pre-processing. Moreover, we demonstrate the scalability of our approach by showing how the proposed topological pre-processing overhead remains small in large graphs while the performance gains get even more pronounced. Furthermore, we show the robustness of our approach in the presence of network partitions.
SkillFence: A Systems Approach to Practically Mitigating Voice-Based Confusion Attacks
Authors: Ashish Hooda, Matthew Wallace, Kushal Jhunjhunwalla, Earlence Fernandes, Kassem Fawaz
Date: 2022-12-16 00:00:00

Voice assistants are deployed widely and provide useful functionality. However, recent work has shown that commercial systems like Amazon Alexa and Google Home are vulnerable to voice-based confusion attacks that exploit design issues. We propose a systems-oriented defense against this class of attacks and demonstrate its functionality for Amazon Alexa. We ensure that only the skills a user intends execute in response to voice commands. Our key insight is that we can interpret a user's intentions by analyzing their activity on counterpart systems of the web and smartphones. For example, the Lyft ride-sharing Alexa skill has an Android app and a website. Our work shows how information from counterpart apps can help reduce dis-ambiguities in the skill invocation process. We build SkilIFence, a browser extension that existing voice assistant users can install to ensure that only legitimate skills run in response to their commands. Using real user data from MTurk (N = 116) and experimental trials involving synthetic and organic speech, we show that SkillFence provides a balance between usability and security by securing 90.83% of skills that a user will need with a False acceptance rate of 19.83%.
A Neural Network Warm-Start Approach for the Inverse Acoustic Obstacle Scattering Problem
Authors: Mo Zhou, Jiequn Han, Manas Rachh, Carlos Borges
Date: 2022-12-16 00:00:00

We consider the inverse acoustic obstacle problem for sound-soft star-shaped obstacles in two dimensions wherein the boundary of the obstacle is determined from measurements of the scattered field at a collection of receivers outside the object. One of the standard approaches for solving this problem is to reformulate it as an optimization problem: finding the boundary of the domain that minimizes the $L^2$ distance between computed values of the scattered field and the given measurement data. The optimization problem is computationally challenging since the local set of convexity shrinks with increasing frequency and results in an increasing number of local minima in the vicinity of the true solution. In many practical experimental settings, low frequency measurements are unavailable due to limitations of the experimental setup or the sensors used for measurement. Thus, obtaining a good initial guess for the optimization problem plays a vital role in this environment. We present a neural network warm-start approach for solving the inverse scattering problem, where an initial guess for the optimization problem is obtained using a trained neural network. We demonstrate the effectiveness of our method with several numerical examples. For high frequency problems, this approach outperforms traditional iterative methods such as Gauss-Newton initialized without any prior (i.e., initialized using a unit circle), or initialized using the solution of a direct method such as the linear sampling method. The algorithm remains robust to noise in the scattered field measurements and also converges to the true solution for limited aperture data. However, the number of training samples required to train the neural network scales exponentially in frequency and the complexity of the obstacles considered. We conclude with a discussion of this phenomenon and potential directions for future research.
JFP: Joint Future Prediction with Interactive Multi-Agent Modeling for Autonomous Driving
Authors: Wenjie Luo, Cheolho Park, Andre Cornman, Benjamin Sapp, Dragomir Anguelov
Date: 2022-12-16 00:00:00
Tasks: Autonomous Driving, Decoder, Future prediction

We propose JFP, a Joint Future Prediction model that can learn to generate accurate and consistent multi-agent future trajectories. For this task, many different methods have been proposed to capture social interactions in the encoding part of the model, however, considerably less focus has been placed on representing interactions in the decoder and output stages. As a result, the predicted trajectories are not necessarily consistent with each other, and often result in unrealistic trajectory overlaps. In contrast, we propose an end-to-end trainable model that learns directly the interaction between pairs of agents in a structured, graphical model formulation in order to generate consistent future trajectories. It sets new state-of-the-art results on Waymo Open Motion Dataset (WOMD) for the interactive setting. We also investigate a more complex multi-agent setting for both WOMD and a larger internal dataset, where our approach improves significantly on the trajectory overlap metrics while obtaining on-par or better performance on single-agent trajectory metrics.
Fast Entropy-Based Methods of Word-Level Confidence Estimation for End-To-End Automatic Speech Recognition
Authors: Aleksandr Laptev, Boris Ginsburg
Date: 2022-12-16 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), speech-recognition, Speech Recognition

This paper presents a class of new fast non-trainable entropy-based confidence estimation methods for automatic speech recognition. We show how per-frame entropy values can be normalized and aggregated to obtain a confidence measure per unit and per word for Connectionist Temporal Classification (CTC) and Recurrent Neural Network Transducer (RNN-T) models. Proposed methods have similar computational complexity to the traditional method based on the maximum per-frame probability, but they are more adjustable, have a wider effective threshold range, and better push apart the confidence distributions of correct and incorrect words. We evaluate the proposed confidence measures on LibriSpeech test sets, and show that they are up to 2 and 4 times better than confidence estimation based on the maximum per-frame probability at detecting incorrect words for Conformer-CTC and Conformer-RNN-T models, respectively.
An Upper Bound for the Distribution Overlap Index and Its Applications
Authors: Hao Fu, Prashanth Krishnamurthy, Siddharth Garg, Farshad Khorrami
Date: 2022-12-16 00:00:00
Tasks: Classification, One-Class Classification, One-class classifier

This paper proposes an easy-to-compute upper bound for the overlap index between two probability distributions without requiring any knowledge of the distribution models. The computation of our bound is time-efficient and memory-efficient and only requires finite samples. The proposed bound shows its value in one-class classification and domain shift analysis. Specifically, in one-class classification, we build a novel one-class classifier by converting the bound into a confidence score function. Unlike most one-class classifiers, the training process is not needed for our classifier. Additionally, the experimental results show that our classifier can be accurate with only a small number of in-class samples and outperform many state-of-the-art methods on various datasets in different one-class classification scenarios. In domain shift analysis, we propose a theorem based on our bound. The theorem is useful in detecting the existence of domain shift and inferring data information. The detection and inference processes are both computation-efficient and memory-efficient. Our work shows significant promise toward broadening the applications of overlap-based metrics.
TopoImb: Toward Topology-level Imbalance in Learning from Graphs
Authors: Tianxiang Zhao, Dongsheng Luo, Xiang Zhang, Suhang Wang
Date: 2022-12-16 00:00:00

Graph serves as a powerful tool for modeling data that has an underlying structure in non-Euclidean space, by encoding relations as edges and entities as nodes. Despite developments in learning from graph-structured data over the years, one obstacle persists: graph imbalance. Although several attempts have been made to target this problem, they are limited to considering only class-level imbalance. In this work, we argue that for graphs, the imbalance is likely to exist at the sub-class topology group level. Due to the flexibility of topology structures, graphs could be highly diverse, and learning a generalizable classification boundary would be difficult. Therefore, several majority topology groups may dominate the learning process, rendering others under-represented. To address this problem, we propose a new framework {\method} and design (1 a topology extractor, which automatically identifies the topology group for each instance with explicit memory cells, (2 a training modulator, which modulates the learning process of the target GNN model to prevent the case of topology-group-wise under-representation. {\method} can be used as a key component in GNN models to improve their performances under the data imbalance setting. Analyses on both topology-level imbalance and the proposed {\method} are provided theoretically, and we empirically verify its effectiveness with both node-level and graph-level classification as the target tasks.
An unfolding method based on conditional Invertible Neural Networks (cINN) using iterative training
Authors: Mathias Backes, Anja Butter, Monica Dunford, Bogdan Malaescu
Date: 2022-12-16 00:00:00

The unfolding of detector effects is crucial for the comparison of data to theory predictions. While traditional methods are limited to representing the data in a low number of dimensions, machine learning has enabled new unfolding techniques while retaining the full dimensionality. Generative networks like invertible neural networks~(INN) enable a probabilistic unfolding, which map individual events to their corresponding unfolded probability distribution. The accuracy of such methods is however limited by how well simulated training samples model the actual data that is unfolded. We introduce the iterative conditional INN~(IcINN) for unfolding that adjusts for deviations between simulated training samples and data. The IcINN unfolding is first validated on toy data and then applied to pseudo-data for the $pp \to Z \gamma \gamma$ process.