pwc-archive/papers-with-abstracts huggingface dataset:
A Note on Sample Complexity of Interactive Imitation Learning with Log Loss
Authors: Yichen Li, Chicheng Zhang
Date: 2024-12-09 00:00:00
Tasks: Decision Making, Imitation Learning, Sequential Decision Making

Imitation learning (IL) is a general paradigm for learning from experts in sequential decision-making problems. Recent advancements in IL have shown that offline imitation learning, specifically Behavior Cloning (BC) with log loss, is minimax optimal. Meanwhile, its interactive counterpart, DAgger, is shown to suffer from suboptimal sample complexity. In this note, we focus on realizable deterministic expert and revisit interactive imitation learning, particularly DAgger with log loss. We demonstrate: 1. A one-sample-per-round DAgger variant that outperforms BC in state-wise annotation. 2. Without recoverability assumption, DAgger with first-step mixture policies matches the performance of BC. Along the analysis, we introduce a new notion of decoupled Hellinger distance that separates state and action sequences, which can be of independent interest.
A Misclassification Network-Based Method for Comparative Genomic Analysis
Authors: Wan He, Tina Eliassi-Rad, Samuel V. Scarpino
Date: 2024-12-09 00:00:00

Classifying genome sequences based on metadata has been an active area of research in comparative genomics for decades with many important applications across the life sciences. Established methods for classifying genomes can be broadly grouped into sequence alignment-based and alignment-free models. Conventional alignment-based models rely on genome similarity measures calculated based on local sequence alignments or consistent ordering among sequences. However, such methods are computationally expensive when dealing with large ensembles of even moderately sized genomes. In contrast, alignment-free (AF) approaches measure genome similarity based on summary statistics in an unsupervised setting and are efficient enough to analyze large datasets. However, both alignment-based and AF methods typically assume fixed scoring rubrics that lack the flexibility to assign varying importance to different parts of the sequences based on prior knowledge. In this study, we integrate AI and network science approaches to develop a comparative genomic analysis framework that addresses these limitations. Our approach, termed the Genome Misclassification Network Analysis (GMNA), simultaneously leverages misclassified instances, a learned scoring rubric, and label information to classify genomes based on associated metadata and better understand potential drivers of misclassification. We evaluate the utility of the GMNA using Naive Bayes and convolutional neural network models, supplemented by additional experiments with transformer-based models, to construct SARS-CoV-2 sampling location classifiers using over 500,000 viral genome sequences and study the resulting network of misclassifications. We demonstrate the global health potential of the GMNA by leveraging the SARS-CoV-2 genome misclassification networks to investigate the role human mobility played in structuring geographic clustering of SARS-CoV-2.
Advancing clinical trial outcomes using deep learning and predictive modelling: bridging precision medicine and patient-centered care
Authors: Sydney Anuyah, Mallika K Singh, Hope Nyavor
Date: 2024-12-09 00:00:00
Tasks: Computational Efficiency, Survival Analysis, Time Series Forecasting

The integration of artificial intelligence [AI] into clinical trials has revolutionized the process of drug development and personalized medicine. Among these advancements, deep learning and predictive modelling have emerged as transformative tools for optimizing clinical trial design, patient recruitment, and real-time monitoring. This study explores the application of deep learning techniques, such as convolutional neural networks [CNNs] and transformerbased models, to stratify patients, forecast adverse events, and personalize treatment plans. Furthermore, predictive modelling approaches, including survival analysis and time-series forecasting, are employed to predict trial outcomes, enhancing efficiency and reducing trial failure rates. To address challenges in analysing unstructured clinical data, such as patient notes and trial protocols, natural language processing [NLP] techniques are utilized for extracting actionable insights. A custom dataset comprising structured patient demographics, genomic data, and unstructured text is curated for training and validating these models. Key metrics, including precision, recall, and F1 scores, are used to evaluate model performance, while trade-offs between accuracy and computational efficiency are examined to identify the optimal model for clinical deployment. This research underscores the potential of AI-driven methods to streamline clinical trial workflows, improve patient-centric outcomes, and reduce costs associated with trial inefficiencies. The findings provide a robust framework for integrating predictive analytics into precision medicine, paving the way for more adaptive and efficient clinical trials. By bridging the gap between technological innovation and real-world applications, this study contributes to advancing the role of AI in healthcare, particularly in fostering personalized care and improving overall trial success rates.
Data Augmentation with Variational Autoencoder for Imbalanced Dataset
Authors: Samuel Stocksieker, Denys Pommeret, Arthur Charpentier
Date: 2024-12-09 00:00:00
Tasks: Data Augmentation, regression, Synthetic Data Generation

Learning from an imbalanced distribution presents a major challenge in predictive modeling, as it generally leads to a reduction in the performance of standard algorithms. Various approaches exist to address this issue, but many of them concern classification problems, with a limited focus on regression. In this paper, we introduce a novel method aimed at enhancing learning on tabular data in the Imbalanced Regression (IR) framework, which remains a significant problem. We propose to use variational autoencoders (VAE) which are known as a powerful tool for synthetic data generation, offering an interesting approach to modeling and capturing latent representations of complex distributions. However, VAEs can be inefficient when dealing with IR. Therefore, we develop a novel approach for generating data, combining VAE with a smoothed bootstrap, specifically designed to address the challenges of IR. We numerically investigate the scope of this method by comparing it against its competitors on simulations and datasets known for IR.
GenAI4UQ: A Software for Inverse Uncertainty Quantification Using Conditional Generative Models
Authors: Ming Fan, Zezhong Zhang, Dan Lu, Guannan Zhang
Date: 2024-12-09 00:00:00
Tasks: parameter estimation, Uncertainty Quantification

We introduce GenAI4UQ, a software package for inverse uncertainty quantification in model calibration, parameter estimation, and ensemble forecasting in scientific applications. GenAI4UQ leverages a generative artificial intelligence (AI) based conditional modeling framework to address the limitations of traditional inverse modeling techniques, such as Markov Chain Monte Carlo methods. By replacing computationally intensive iterative processes with a direct, learned mapping, GenAI4UQ enables efficient calibration of model input parameters and generation of output predictions directly from observations. The software's design allows for rapid ensemble forecasting with robust uncertainty quantification, while maintaining high computational and storage efficiency. GenAI4UQ simplifies the model training process through built-in auto-tuning of hyperparameters, making it accessible to users with varying levels of expertise. Its conditional generative framework ensures versatility, enabling applicability across a wide range of scientific domains. At its core, GenAI4UQ transforms the paradigm of inverse modeling by providing a fast, reliable, and user-friendly solution. It empowers researchers and practitioners to quickly estimate parameter distributions and generate model predictions for new observations, facilitating efficient decision-making and advancing the state of uncertainty quantification in computational modeling. (The code and data are available at https://github.com/patrickfan/GenAI4UQ).
TAEN: A Model-Constrained Tikhonov Autoencoder Network for Forward and Inverse Problems
Authors: Hai V. Nguyen, Tan Bui-Thanh, Clint Dawson
Date: 2024-12-09 00:00:00

Efficient real-time solvers for forward and inverse problems are essential in engineering and science applications. Machine learning surrogate models have emerged as promising alternatives to traditional methods, offering substantially reduced computational time. Nevertheless, these models typically demand extensive training datasets to achieve robust generalization across diverse scenarios. While physics-based approaches can partially mitigate this data dependency and ensure physics-interpretable solutions, addressing scarce data regimes remains a challenge. Both purely data-driven and physics-based machine learning approaches demonstrate severe overfitting issues when trained with insufficient data. We propose a novel Tikhonov autoencoder model-constrained framework, called TAE, capable of learning both forward and inverse surrogate models using a single arbitrary observation sample. We develop comprehensive theoretical foundations including forward and inverse inference error bounds for the proposed approach for linear cases. For comparative analysis, we derive equivalent formulations for pure data-driven and model-constrained approach counterparts. At the heart of our approach is a data randomization strategy, which functions as a generative mechanism for exploring the training data space, enabling effective training of both forward and inverse surrogate models from a single observation, while regularizing the learning process. We validate our approach through extensive numerical experiments on two challenging inverse problems: 2D heat conductivity inversion and initial condition reconstruction for time-dependent 2D Navier-Stokes equations. Results demonstrate that TAE achieves accuracy comparable to traditional Tikhonov solvers and numerical forward solvers for both inverse and forward problems, respectively, while delivering orders of magnitude computational speedups.
In-Application Defense Against Evasive Web Scans through Behavioral Analysis
Authors: Behzad Ousat, Mahshad Shariatnasab, Esteban Schafir, Farhad Shirani Chaharsooghi, Amin Kharraz
Date: 2024-12-09 00:00:00

Web traffic has evolved to include both human users and automated agents, ranging from benign web crawlers to adversarial scanners such as those capable of credential stuffing, command injection, and account hijacking at the web scale. The estimated financial costs of these adversarial activities are estimated to exceed tens of billions of dollars in 2023. In this work, we introduce WebGuard, a low-overhead in-application forensics engine, to enable robust identification and monitoring of automated web scanners, and help mitigate the associated security risks. WebGuard focuses on the following design criteria: (i) integration into web applications without any changes to the underlying software components or infrastructure, (ii) minimal communication overhead, (iii) capability for real-time detection, e.g., within hundreds of milliseconds, and (iv) attribution capability to identify new behavioral patterns and detect emerging agent categories. To this end, we have equipped WebGuard with multi-modal behavioral monitoring mechanisms, such as monitoring spatio-temporal data and browser events. We also design supervised and unsupervised learning architectures for real-time detection and offline attribution of human and automated agents, respectively. Information theoretic analysis and empirical evaluations are provided to show that multi-modal data analysis, as opposed to uni-modal analysis which relies solely on mouse movement dynamics, significantly improves time-to-detection and attribution accuracy. Various numerical evaluations using real-world data collected via WebGuard are provided achieving high accuracy in hundreds of milliseconds, with a communication overhead below 10 KB per second.
Understanding Gradient Descent through the Training Jacobian
Authors: Nora Belrose, Adam Scherlis
Date: 2024-12-09 00:00:00

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian
The Oracle Complexity of Simplex-based Matrix Games: Linear Separability and Nash Equilibria
Authors: Guy Kornowski, Ohad Shamir
Date: 2024-12-09 00:00:00

We study the problem of solving matrix games of the form $\max_{\mathbf{w}\in\mathcal{W}}\min_{\mathbf{p}\in\Delta}\mathbf{p}^{\top}A\mathbf{w}$, where $A$ is some matrix and $\Delta$ is the probability simplex. This problem encapsulates canonical tasks such as finding a linear separator and computing Nash equilibria in zero-sum games. However, perhaps surprisingly, its inherent complexity (as formalized in the standard framework of oracle complexity [Nemirovski and Yudin, 1983]) is not well-understood. In this work, we first identify different oracle models which are implicitly used by prior algorithms, amounting to multiplying the matrix $A$ by a vector from either one or both sides. We then prove complexity lower bounds for algorithms under both access models, which in particular imply a separation between them. Specifically, we start by proving that algorithms for linear separability based on one-sided multiplications must require $\Omega(\gamma_A^{-2})$ iterations, where $\gamma_A$ is the margin, as matched by the Perceptron algorithm. We then prove that accelerated algorithms for this task, which utilize multiplications from both sides, must require $\tilde{\Omega}(\gamma_{A}^{-2/3})$ iterations, establishing the first oracle complexity barrier for such algorithms. Finally, by adapting our lower bound to $\ell_1$ geometry, we prove that computing an $\epsilon$-approximate Nash equilibrium requires $\tilde{\Omega}(\epsilon^{-2/5})$ iterations, which is an exponential improvement over the previously best-known lower bound due to Hadiji et al. [2024].
Geological and Well prior assisted full waveform inversion using conditional diffusion models
Authors: Fu Wang, Xinquan Huang, Tariq Alkhalifah
Date: 2024-12-09 00:00:00
Tasks: Geophysics

Full waveform inversion (FWI) often faces challenges due to inadequate seismic observations, resulting in band-limited and geologically inaccurate inversion results. Incorporating prior information from potential velocity distributions, well-log information, and our geological knowledge and expectations can significantly improve FWI convergence to a realistic model. While diffusion-regularized FWI has shown improved performance compared to conventional FWI by incorporating the velocity distribution prior, it can benefit even more by incorporating well-log information and other geological knowledge priors. To leverage this fact, we propose a geological class and well-information prior-assisted FWI using conditional diffusion models. This method seamlessly integrates multi-modal information into FWI, simultaneously achieving data fitting and universal geologic and geophysics prior matching, which is often not achieved with traditional regularization methods. Specifically, we propose to combine conditional diffusion models with FWI, where we integrate well-log data and geological class conditions into these conditional diffusion models using classifier-free guidance for multi-modal prior matching beyond the original velocity distribution prior. Numerical experiments on the OpenFWI datasets and field marine data demonstrate the effectiveness of our method compared to conventional FWI and the unconditional diffusion-regularized FWI.
Analysing Public Transport User Sentiment on Low Resource Multilingual Data
Authors: Rozina L. Myoya, Vukosi Marivate, Idris Abdulmumin
Date: 2024-12-09 00:00:00
Tasks: Opinion Mining, Sentiment Analysis

Public transport systems in many Sub-Saharan countries often receive less attention compared to other sectors, underscoring the need for innovative solutions to improve the Quality of Service (QoS) and overall user experience. This study explored commuter opinion mining to understand sentiments toward existing public transport systems in Kenya, Tanzania, and South Africa. We used a qualitative research design, analysing data from X (formerly Twitter) to assess sentiments across rail, mini-bus taxis, and buses. By leveraging Multilingual Opinion Mining techniques, we addressed the linguistic diversity and code-switching present in our dataset, thus demonstrating the application of Natural Language Processing (NLP) in extracting insights from under-resourced languages. We employed PLMs such as AfriBERTa, AfroXLMR, AfroLM, and PuoBERTa to conduct the sentiment analysis. The results revealed predominantly negative sentiments in South Africa and Kenya, while the Tanzanian dataset showed mainly positive sentiments due to the advertising nature of the tweets. Furthermore, feature extraction using the Word2Vec model and K-Means clustering illuminated semantic relationships and primary themes found within the different datasets. By prioritising the analysis of user experiences and sentiments, this research paves the way for developing more responsive, user-centered public transport systems in Sub-Saharan countries, contributing to the broader goal of improving urban mobility and sustainability.
NRSurNN3dq4: A Deep Learning Powered Numerical Relativity Surrogate for Binary Black Hole Waveforms
Authors: Osvaldo Gramaxo Freitas, Anastasios Theodoropoulos, Nino Villanueva, Tiago Fernandes, Solange Nunes, José A. Font, Antonio Onofre, Alejandro Torres-Forné, José D. Martin-Guerrero
Date: 2024-12-09 00:00:00
Tasks: Astronomy, parameter estimation

Gravitational wave approximants are widely used tools in gravitational-wave astronomy. They allow for dense coverage of the parameter space of binary black hole (BBH) mergers for purposes of parameter inference, or, more generally, match filtering tasks, while avoiding the computationally expensive full evolution of numerical relativity simulations. However, this comes at a slight cost in terms of accuracy when compared to numerical relativity waveforms, depending on the approach. One way to minimize this is by constructing so-called~\textit{surrogate models} which, instead of using approximate physics or phenomenological formulae, rather interpolate within the space of numerical relativity waveforms. In this work, we introduce~\texttt{NRSurNN3dq4}, a surrogate model for non-precessing BBH merger waveforms powered by neural networks. By relying on the power of deep learning, this approximant is remarkably fast and competitively accurate, as it can generate millions of waveforms in a tenth of a second, while mismatches with numerical relativity waveforms are restrained below $10^{-3}$. We implement this approximant within the~\textsc{bilby} framework for gravitational-wave parameter inference, and show that it it is suitable for parameter estimation tasks.
Digital Twin-Empowered Voltage Control for Power Systems
Authors: Jiachen Xu, Yushuai Li, Torben Bach Pedersen, Yuqiang He, Kim Guldstrand Larsen, Tianyi Li
Date: 2024-12-09 00:00:00
Tasks: Computational Efficiency

Emerging digital twin technology has the potential to revolutionize voltage control in power systems. However, the state-of-the-art digital twin method suffers from low computational and sampling efficiency, which hinders its applications. To address this issue, we propose a Gumbel-Consistency Digital Twin (GC-DT) method that enhances voltage control with improved computational and sampling efficiency. First, the proposed method incorporates a Gumbel-based strategy improvement that leverages the Gumbel-top trick to enhance non-repetitive sampling actions and reduce the reliance on Monte Carlo Tree Search simulations, thereby improving computational efficiency. Second, a consistency loss function aligns predicted hidden states with actual hidden states in the latent space, which increases both prediction accuracy and sampling efficiency. Experiments on IEEE 123-bus, 34-bus, and 13-bus systems demonstrate that the proposed GC-DT outperforms the state-of-the-art DT method in both computational and sampling efficiency.
Efficient user history modeling with amortized inference for deep learning recommendation models
Authors: Lars Hertel, Neil Daftary, Fedor Borisyuk, Aman Gupta, Rahul Mazumder
Date: 2024-12-09 00:00:00

We study user history modeling via Transformer encoders in deep learning recommendation models (DLRM). Such architectures can significantly improve recommendation quality, but usually incur high latency cost necessitating infrastructure upgrades or very small Transformer models. An important part of user history modeling is early fusion of the candidate item and various methods have been studied. We revisit early fusion and compare concatenation of the candidate to each history item against appending it to the end of the list as a separate item. Using the latter method, allows us to reformulate the recently proposed amortized history inference algorithm M-FALCON \cite{zhai2024actions} for the case of DLRM models. We show via experimental results that appending with cross-attention performs on par with concatenation and that amortization significantly reduces inference costs. We conclude with results from deploying this model on the LinkedIn Feed and Ads surfaces, where amortization reduces latency by 30\% compared to non-amortized inference.
Variable Selection for Comparing High-dimensional Time-Series Data
Authors: Kensuke Mitsuzawa, Margherita Grossi, Stefano Bortoli, Motonobu Kanagawa
Date: 2024-12-09 00:00:00
Tasks: Time Series, Variable Selection

Given a pair of multivariate time-series data of the same length and dimensions, an approach is proposed to select variables and time intervals where the two series are significantly different. In applications where one time series is an output from a computationally expensive simulator, the approach may be used for validating the simulator against real data, for comparing the outputs of two simulators, and for validating a machine learning-based emulator against the simulator. With the proposed approach, the entire time interval is split into multiple subintervals, and on each subinterval, the two sample sets are compared to select variables that distinguish their distributions and a two-sample test is performed. The validity and limitations of the proposed approach are investigated in synthetic data experiments. Its usefulness is demonstrated in an application with a particle-based fluid simulator, where a deep neural network model is compared against the simulator, and in an application with a microscopic traffic simulator, where the effects of changing the simulator's parameters on traffic flows are analysed.