pwc-archive/papers-with-abstracts huggingface dataset:
A Quantum Neural Network Regression for Modeling Lithium-ion Battery Capacity Degradation
Authors: Anh Phuong Ngo, Nhat Le, Hieu T. Nguyen, Abdullah Eroglu, Duong T. Nguyen
Date: 2023-02-06 00:00:00
Tasks: Hybrid Machine Learning, regression

Given the high power density low discharge rate and decreasing cost rechargeable lithium-ion batteries LiBs have found a wide range of applications such as power grid level storage systems electric vehicles and mobile devices. Developing a framework to accurately model the nonlinear degradation process of LiBs which is indeed a supervised learning problem becomes an important research topic. This paper presents a classical-quantum hybrid machine learning approach to capture the LiB degradation model that assesses battery cell life loss from operating profiles. Our work is motivated by recent advances in quantum computers as well as the similarity between neural networks and quantum circuits. Similar to adjusting weight parameters in conventional neural networks the parameters of the quantum circuit namely the qubits degree of freedom can be tuned to learn a nonlinear function in a supervised learning fashion. As a proof of concept paper our obtained numerical results with the battery dataset provided by NASA demonstrate the ability of the quantum neural networks in modeling the nonlinear relationship between the degraded capacity and the operating cycles. We also discuss the potential advantage of the quantum approach compared to conventional neural networks in classical computers in dealing with massive data especially in the context of future penetration of EVs and energy storage.
Sequential change detection via backward confidence sequences
Authors: Shubhanshu Shekhar, Aaditya Ramdas
Date: 2023-02-06 00:00:00
Tasks: Change Detection

We present a simple reduction from sequential estimation to sequential changepoint detection (SCD). In short, suppose we are interested in detecting changepoints in some parameter or functional $\theta$ of the underlying distribution. We demonstrate that if we can construct a confidence sequence (CS) for $\theta$, then we can also successfully perform SCD for $\theta$. This is accomplished by checking if two CSs -- one forwards and the other backwards -- ever fail to intersect. Since the literature on CSs has been rapidly evolving recently, the reduction provided in this paper immediately solves several old and new change detection problems. Further, our "backward CS", constructed by reversing time, is new and potentially of independent interest. We provide strong nonasymptotic guarantees on the frequency of false alarms and detection delay, and demonstrate numerical effectiveness on several problems.
Learning Control-Oriented Dynamical Structure from Data
Authors: Spencer M. Richards, Jean-Jacques Slotine, Navid Azizan, Marco Pavone
Date: 2023-02-06 00:00:00

Even for known nonlinear dynamical systems, feedback controller synthesis is a difficult problem that often requires leveraging the particular structure of the dynamics to induce a stable closed-loop system. For general nonlinear models, including those fit to data, there may not be enough known structure to reliably synthesize a stabilizing feedback controller. In this paper, we discuss a state-dependent nonlinear tracking controller formulation based on a state-dependent Riccati equation for general nonlinear control-affine systems. This formulation depends on a nonlinear factorization of the system of vector fields defining the control-affine dynamics, which always exists under mild smoothness assumptions. We propose a method for learning this factorization from a finite set of data. On a variety of simulated nonlinear dynamical systems, we empirically demonstrate the efficacy of learned versions of this controller in stable trajectory tracking. Alongside our learning method, we evaluate recent ideas in jointly learning a controller and stabilizability certificate for known dynamical systems; we show experimentally that such methods can be frail in comparison.
Personalized Interpretable Classification
Authors: Zengyou He, Yifan Tang, Lianyu Hu, Mudi Jiang, Yan Liu
Date: 2023-02-06 00:00:00
Tasks: Classification

How to interpret a data mining model has received much attention recently, because people may distrust a black-box predictive model if they do not understand how the model works. Hence, it will be trustworthy if a model can provide transparent illustrations on how to make the decision. Although many rule-based interpretable classification algorithms have been proposed, all these existing solutions cannot directly construct an interpretable model to provide personalized prediction for each individual test sample. In this paper, we make a first step towards formally introducing personalized interpretable classification as a new data mining problem to the literature. In addition to the problem formulation on this new issue, we present a greedy algorithm called PIC (Personalized Interpretable Classifier) to identify a personalized rule for each individual test sample. To demonstrate the necessity, feasibility and advantages of such a personalized interpretable classification method, we conduct a series of empirical studies on real data sets. The experimental results show that: (1) The new problem formulation enables us to find interesting rules for test samples that may be missed by existing non-personalized classifiers. (2) Our algorithm can achieve the same-level predictive accuracy as those state-of-the-art (SOTA) interpretable classifiers. (3) On a real data set for predicting breast cancer metastasis, such a personalized interpretable classifier can outperform SOTA methods in terms of both accuracy and interpretability.
Prior Density Learning in Variational Bayesian Phylogenetic Parameters Inference
Authors: Amine M. Remita, Golrokh Vitae, Abdoulaye Baniré Diallo
Date: 2023-02-06 00:00:00
Tasks: Variational Inference

The advances in variational inference are providing promising paths in Bayesian estimation problems. These advances make variational phylogenetic inference an alternative approach to Markov Chain Monte Carlo methods for approximating the phylogenetic posterior. However, one of the main drawbacks of such approaches is modelling the prior through fixed distributions, which could bias the posterior approximation if they are distant from the current data distribution. In this paper, we propose an approach and an implementation framework to relax the rigidity of the prior densities by learning their parameters using a gradient-based method and a neural network-based parameterization. We applied this approach for branch lengths and evolutionary parameters estimation under several Markov chain substitution models. The results of performed simulations show that the approach is powerful in estimating branch lengths and evolutionary model parameters. They also show that a flexible prior model could provide better results than a predefined prior model. Finally, the results highlight that using neural networks improves the initialization of the optimization of the prior density parameters.
High-dimensional Location Estimation via Norm Concentration for Subgamma Vectors
Authors: Shivam Gupta, Jasper C. H. Lee, Eric Price
Date: 2023-02-05 00:00:00
Tasks: Vocal Bursts Intensity Prediction

In location estimation, we are given $n$ samples from a known distribution $f$ shifted by an unknown translation $\lambda$, and want to estimate $\lambda$ as precisely as possible. Asymptotically, the maximum likelihood estimate achieves the Cram\'er-Rao bound of error $\mathcal N(0, \frac{1}{n\mathcal I})$, where $\mathcal I$ is the Fisher information of $f$. However, the $n$ required for convergence depends on $f$, and may be arbitrarily large. We build on the theory using \emph{smoothed} estimators to bound the error for finite $n$ in terms of $\mathcal I_r$, the Fisher information of the $r$-smoothed distribution. As $n \to \infty$, $r \to 0$ at an explicit rate and this converges to the Cram\'er-Rao bound. We (1) improve the prior work for 1-dimensional $f$ to converge for constant failure probability in addition to high probability, and (2) extend the theory to high-dimensional distributions. In the process, we prove a new bound on the norm of a high-dimensional random variable whose 1-dimensional projections are subgamma, which may be of independent interest.
Offline Learning of Closed-Loop Deep Brain Stimulation Controllers for Parkinson Disease Treatment
Authors: Qitong Gao, Stephen L. Schimdt, Afsana Chowdhury, Guangyu Feng, Jennifer J. Peters, Katherine Genty, Warren M. Grill, Dennis A. Turner, Miroslav Pajic
Date: 2023-02-05 00:00:00
Tasks: Reinforcement Learning (RL)

Deep brain stimulation (DBS) has shown great promise toward treating motor symptoms caused by Parkinson's disease (PD), by delivering electrical pulses to the Basal Ganglia (BG) region of the brain. However, DBS devices approved by the U.S. Food and Drug Administration (FDA) can only deliver continuous DBS (cDBS) stimuli at a fixed amplitude; this energy inefficient operation reduces battery lifetime of the device, cannot adapt treatment dynamically for activity, and may cause significant side-effects (e.g., gait impairment). In this work, we introduce an offline reinforcement learning (RL) framework, allowing the use of past clinical data to train an RL policy to adjust the stimulation amplitude in real time, with the goal of reducing energy use while maintaining the same level of treatment (i.e., control) efficacy as cDBS. Moreover, clinical protocols require the safety and performance of such RL controllers to be demonstrated ahead of deployments in patients. Thus, we also introduce an offline policy evaluation (OPE) method to estimate the performance of RL policies using historical data, before deploying them on patients. We evaluated our framework on four PD patients equipped with the RC+S DBS system, employing the RL controllers during monthly clinical visits, with the overall control efficacy evaluated by severity of symptoms (i.e., bradykinesia and tremor), changes in PD biomakers (i.e., local field potentials), and patient ratings. The results from clinical experiments show that our RL-based controller maintains the same level of control efficacy as cDBS, but with significantly reduced stimulation energy. Further, the OPE method is shown effective in accurately estimating and ranking the expected returns of RL controllers.
Nonparametric Density Estimation under Distribution Drift
Authors: Alessio Mazzetto, Eli Upfal
Date: 2023-02-05 00:00:00
Tasks: Density Estimation

We study nonparametric density estimation in non-stationary drift settings. Given a sequence of independent samples taken from a distribution that gradually changes in time, the goal is to compute the best estimate for the current distribution. We prove tight minimax risk bounds for both discrete and continuous smooth densities, where the minimum is over all possible estimates and the maximum is over all possible distributions that satisfy the drift constraints. Our technique handles a broad class of drift models, and generalizes previous results on agnostic learning under drift.
Know, Grow, and Protect Net Worth: Using ML for Asset Protection by Preventing Overdraft Fees
Authors: Avishek Kumar, Tyson Silver
Date: 2023-02-05 00:00:00
Tasks: Credit score

When a customer overdraws their bank account and their balance is negative they are assessed an overdraft fee. Americans pay approximately \$15 billion in unnecessary overdraft fees a year, often in \$35 increments; users of the Mint personal finance app pay approximately \$250 million in fees a year in particular. These overdraft fees are an excessive financial burden and lead to cascading overdraft fees trapping customers in financial hardship. To address this problem, we have created an ML-driven overdraft early warning system (ODEWS) that assesses a customer's risk of overdrafting within the next week using their banking and transaction data in the Mint app. At-risk customers are sent an alert so they can take steps to avoid the fee, ultimately changing their behavior and financial habits. The system deployed resulted in a \$3 million savings in overdraft fees for Mint customers compared to a control group. Moreover, the methodology outlined here is part of a greater effort to provide ML-driven personalized financial advice to help our members know, grow, and protect their net worth, ultimately, achieving their financial goals.
Regularization and Optimization in Model-Based Clustering
Authors: Raphael Araujo Sampaio, Joaquim Dias Garcia, Marcus Poggi, Thibaut Vidal
Date: 2023-02-05 00:00:00
Tasks: Clustering, model

Due to their conceptual simplicity, k-means algorithm variants have been extensively used for unsupervised cluster analysis. However, one main shortcoming of these algorithms is that they essentially fit a mixture of identical spherical Gaussians to data that vastly deviates from such a distribution. In comparison, general Gaussian Mixture Models (GMMs) can fit richer structures but require estimating a quadratic number of parameters per cluster to represent the covariance matrices. This poses two main issues: (i) the underlying optimization problems are challenging due to their larger number of local minima, and (ii) their solutions can overfit the data. In this work, we design search strategies that circumvent both issues. We develop more effective optimization algorithms for general GMMs, and we combine these algorithms with regularization strategies that avoid overfitting. Through extensive computational analyses, we observe that optimization or regularization in isolation does not substantially improve cluster recovery. However, combining these techniques permits a completely new level of performance previously unachieved by k-means algorithm variants, unraveling vastly different cluster structures. These results shed new light on the current status quo between GMM and k-means methods and suggest the more frequent use of general GMMs for data exploration. To facilitate such applications, we provide open-source code as well as Julia packages (UnsupervisedClustering.jl and RegularizedCovarianceMatrices.jl) implementing the proposed techniques.
Tighter Information-Theoretic Generalization Bounds from Supersamples
Authors: Ziqiao Wang, Yongyi Mao
Date: 2023-02-05 00:00:00
Tasks: Generalization Bounds

In this work, we present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.
Biologically inspired ChaosNet architecture for Hypothetical Protein Classification
Authors: Sneha K H, Adhithya Sudeesh, Pramod P Nair, Prashanth Suravajhala
Date: 2023-02-05 00:00:00
Tasks: Classification

ChaosNet is a type of artificial neural network framework developed for classification problems and is influenced by the chaotic property of the human brain. Each neuron of the ChaosNet architecture is the one-dimensional chaotic map called the Generalized Luroth Series (GLS). The addition of GLS as neurons in ChaosNet makes the computations straightforward while utilizing the advantageous elements of chaos. With substantially less data, ChaosNet has been demonstrated to do difficult classification problems on par with or better than traditional ANNs. In this paper, we use Chaosnet to perform a functional classification of Hypothetical proteins [HP], which is indeed a topic of great interest in bioinformatics. The results obtained with significantly lesser training data are compared with the standard machine learning techniques used in the literature.
Online Nonstochastic Control with Adversarial and Static Constraints
Authors: Xin Liu, Zixian Yang, Lei Ying
Date: 2023-02-05 00:00:00

This paper studies online nonstochastic control problems with adversarial and static constraints. We propose online nonstochastic control algorithms that achieve both sublinear regret and sublinear adversarial constraint violation while keeping static constraint violation minimal against the optimal constrained linear control policy in hindsight. To establish the results, we introduce an online convex optimization with memory framework under adversarial and static constraints, which serves as a subroutine for the constrained online nonstochastic control algorithms. This subroutine also achieves the state-of-the-art regret and constraint violation bounds for constrained online convex optimization problems, which is of independent interest. Our experiments demonstrate the proposed control algorithms are adaptive to adversarial constraints and achieve smaller cumulative costs and violations. Moreover, our algorithms are less conservative and achieve significantly smaller cumulative costs than the state-of-the-art algorithm.
Variational Inference on the Final-Layer Output of Neural Networks
Authors: Yadi Wei, Roni Khardon
Date: 2023-02-05 00:00:00
Tasks: Uncertainty Quantification, Variational Inference

Traditional neural networks are simple to train but they typically produce overconfident predictions. In contrast, Bayesian neural networks provide good uncertainty quantification but optimizing them is time consuming due to the large parameter space. This paper proposes to combine the advantages of both approaches by performing Variational Inference in the Final layer Output space (VIFO), because the output space is much smaller than the parameter space. We use neural networks to learn the mean and the variance of the probabilistic output. Using the Bayesian formulation we incorporate collapsed variational inference with VIFO which significantly improves the performance in practice. On the other hand, like standard, non-Bayesian models, VIFO enjoys simple training and one can use Rademacher complexity to provide risk bounds for the model. Experiments show that VIFO provides a good tradeoff in terms of run time and uncertainty quantification, especially for out of distribution data.
Pre-screening breast cancer with machine learning and deep learning
Authors: Rolando Gonzales Martinez, Daan-Max van Dongen
Date: 2023-02-05 00:00:00
Tasks: Deep Learning, feature selection

We suggest that deep learning can be used for pre-screening cancer by analyzing demographic and anthropometric information of patients, as well as biological markers obtained from routine blood samples and relative risks obtained from meta-analysis and international databases. We applied feature selection algorithms to a database of 116 women, including 52 healthy women and 64 women diagnosed with breast cancer, to identify the best pre-screening predictors of cancer. We utilized the best predictors to perform k-fold Monte Carlo cross-validation experiments that compare deep learning against traditional machine learning algorithms. Our results indicate that a deep learning model with an input-layer architecture that is fine-tuned using feature selection can effectively distinguish between patients with and without cancer. Additionally, compared to machine learning, deep learning has the lowest uncertainty in its predictions. These findings suggest that deep learning algorithms applied to cancer pre-screening offer a radiation-free, non-invasive, and affordable complement to screening methods based on imagery. The implementation of deep learning algorithms in cancer pre-screening offer opportunities to identify individuals who may require imaging-based screening, can encourage self-examination, and decrease the psychological externalities associated with false positives in cancer screening. The integration of deep learning algorithms for both screening and pre-screening will ultimately lead to earlier detection of malignancy, reducing the healthcare and societal burden associated to cancer treatment.
Convergence Analysis of the Deep Galerkin Method for Weak Solutions
Authors: Yuling Jiao, Yanming Lai, Yang Wang, Haizhao Yang, Yunfei Yang
Date: 2023-02-05 00:00:00

This paper analyzes the convergence rate of a deep Galerkin method for the weak solution (DGMW) of second-order elliptic partial differential equations on $\mathbb{R}^d$ with Dirichlet, Neumann, and Robin boundary conditions, respectively. In DGMW, a deep neural network is applied to parametrize the PDE solution, and a second neural network is adopted to parametrize the test function in the traditional Galerkin formulation. By properly choosing the depth and width of these two networks in terms of the number of training samples $n$, it is shown that the convergence rate of DGMW is $\mathcal{O}(n^{-1/d})$, which is the first convergence result for weak solutions. The main idea of the proof is to divide the error of the DGMW into an approximation error and a statistical error. We derive an upper bound on the approximation error in the $H^{1}$ norm and bound the statistical error via Rademacher complexity.
Latent Space Bayesian Optimization with Latent Data Augmentation for Enhanced Exploration
Authors: Onur Boyar, Ichiro Takeuchi
Date: 2023-02-05 00:00:00
Tasks: Bayesian Optimization, Data Augmentation, Image Generation

Latent Space Bayesian Optimization (LSBO) combines generative models, typically Variational Autoencoders (VAE), with Bayesian Optimization (BO) to generate de-novo objects of interest. However, LSBO faces challenges due to the mismatch between the objectives of BO and VAE, resulting in poor exploration capabilities. In this paper, we propose novel contributions to enhance LSBO efficiency and overcome this challenge. We first introduce the concept of latent consistency/inconsistency as a crucial problem in LSBO, arising from the VAE-BO mismatch. To address this, we propose the Latent Consistent Aware-Acquisition Function (LCA-AF) that leverages consistent points in LSBO. Additionally, we present LCA-VAE, a novel VAE method that creates a latent space with increased consistent points through data augmentation in latent space and penalization of latent inconsistencies. Combining LCA-VAE and LCA-AF, we develop LCA-LSBO. Our approach achieves high sample-efficiency and effective exploration, emphasizing the significance of addressing latent consistency through the novel incorporation of data augmentation in latent space within LCA-VAE in LSBO. We showcase the performance of our proposal via de-novo image generation and de-novo chemical design tasks.
Offline Minimax Soft-Q-learning Under Realizability and Partial Coverage
Date: 2023-02-05 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Offline RL, Q-Learning, Reinforcement Learning (RL)

In offline reinforcement learning (RL) we have no opportunity to explore so we must make assumptions that the data is sufficient to guide picking a good policy, taking the form of assuming some coverage, realizability, Bellman completeness, and/or hard margin (gap). In this work we propose value-based algorithms for offline RL with PAC guarantees under just partial coverage, specifically, coverage of just a single comparator policy, and realizability of soft (entropy-regularized) Q-function of the single policy and a related function defined as a saddle point of certain minimax optimization problem. This offers refined and generally more lax conditions for offline RL. We further show an analogous result for vanilla Q-functions under a soft margin condition. To attain these guarantees, we leverage novel minimax learning algorithms to accurately estimate soft or vanilla Q-functions with $L^2$-convergence guarantees. Our algorithms' loss functions arise from casting the estimation problems as nonlinear convex optimization problems and Lagrangifying.