pwc-archive/papers-with-abstracts huggingface dataset:
Thompson Sampling for Infinite-Horizon Discounted Decision Processes
Authors: Daniel Adelman, Cagla Keceli, Alba V. Olivares-Nadal
Date: 2024-05-14 00:00:00
Tasks: Thompson Sampling

We model a Markov decision process, parametrized by an unknown parameter, and study the asymptotic behavior of a sampling-based algorithm, called Thompson sampling. The standard definition of regret is not always suitable to evaluate a policy, especially when the underlying chain structure is general. We show that the standard (expected) regret can grow (super-)linearly and fails to capture the notion of learning in realistic settings with non-trivial state evolution. By decomposing the standard (expected) regret, we develop a new metric, called the expected residual regret, which forgets the immutable consequences of past actions. Instead, it measures regret against the optimal reward moving forward from the current period. We show that the expected residual regret of the Thompson sampling algorithm is upper bounded by a term which converges exponentially fast to 0. We present conditions under which the posterior sampling error of Thompson sampling converges to 0 almost surely. We then introduce the probabilistic version of the expected residual regret and present conditions under which it converges to 0 almost surely. Thus, we provide a viable concept of learning for sampling algorithms which will serve useful in broader settings than had been considered previously.
Additive-Effect Assisted Learning
Authors: Jiawei Zhang, Yuhong Yang, Jie Ding
Date: 2024-05-13 00:00:00

It is quite popular nowadays for researchers and data analysts holding different datasets to seek assistance from each other to enhance their modeling performance. We consider a scenario where different learners hold datasets with potentially distinct variables, and their observations can be aligned by a nonprivate identifier. Their collaboration faces the following difficulties: First, learners may need to keep data values or even variable names undisclosed due to, e.g., commercial interest or privacy regulations; second, there are restrictions on the number of transmission rounds between them due to e.g., communication costs. To address these challenges, we develop a two-stage assisted learning architecture for an agent, Alice, to seek assistance from another agent, Bob. In the first stage, we propose a privacy-aware hypothesis testing-based screening method for Alice to decide on the usefulness of the data from Bob, in a way that only requires Bob to transmit sketchy data. Once Alice recognizes Bob's usefulness, Alice and Bob move to the second stage, where they jointly apply a synergistic iterative model training procedure. With limited transmissions of summary statistics, we show that Alice can achieve the oracle performance as if the training were from centralized data, both theoretically and numerically.
A Deep Dive into the Factors Influencing Financial Success: A Machine Learning Approach
Authors: Michael Zhou, Ramin Ramezani
Date: 2024-05-13 00:00:00
Tasks: Survey

This paper explores various socioeconomic factors that contribute to individual financial success using machine learning algorithms and approaches. Financial success, a critical aspect of all individual's well-being, is a complex concept influenced by various factors. This study aims to understand the determinants of financial success. It examines the survey data from the National Longitudinal Survey of Youth 1997 by the Bureau of Labor Statistics (1), consisting of a sample of 8,984 individuals's longitudinal data over years. The dataset comprises income variables and a large set of socioeconomic variables of individuals. An in-depth analysis shows the effectiveness of machine learning algorithms in financial success research, highlights the potential of leveraging longitudinal data to enhance prediction accuracy, and provides valuable insights into how various socioeconomic factors influence financial success. The findings highlight the significant influence of highest education degree, occupation and gender as the top three determinants of individual income among socioeconomic factors examined. Yearly working hours, age and work tenure follow as three secondary influencing factors, and all other factors including parental household income, industry, parents' highest grade and others are identified as tertiary factors. These insights allow researchers to better understand the complex nature of financial success, and are also crucial for fostering financial success among individuals and advancing broader societal well-being by providing insights for policymakers during decision-making process.
Self-Normalizing Foundation Model for Enhanced Multi-Omics Data Analysis in Oncology
Authors: Asim Waqas, Aakash Tripathi, Sabeen Ahmed, Ashwin Mukund, Hamza Farooq, Matthew B. Schabath, Paul Stewart, Mia Naeini, Ghulam Rasool
Date: 2024-05-13 00:00:00
Tasks: Predicting Patient Outcomes

Multi-omics research has enhanced our understanding of cancer heterogeneity and progression. Investigating molecular data through multi-omics approaches is crucial for unraveling the complex biological mechanisms underlying cancer, thereby enabling more effective diagnosis, treatment, and prevention strategies. However, predicting patient outcomes through the integration of all available multi-omics data is still an under-study research direction. Here, we present SeNMo, a foundation model that has been trained on multi-omics data across 33 cancer types. SeNMo is particularly efficient in handling multi-omics data characterized by high-width and low-length attributes. We trained SeNMo for the task of overall survival of patients using pan-cancer multi-omics data involving 33 cancer sites from the GDC. The training multi-omics data includes gene expression, DNA methylation, miRNA expression, DNA mutations, protein expression modalities, and clinical data. SeNMo was validated on two independent cohorts: Moffitt Cancer Center and CPTAC lung squamous cell carcinoma. We evaluated the model's performance in predicting patient's overall survival using the C-Index. SeNMo performed consistently well in the training regime, reflected by the validation C-Index of 0.76 on GDC's public data. In the testing regime, SeNMo performed with a C-Index of 0.758 on a held-out test set. The model showed an average accuracy of 99.8% on the task of classifying the primary cancer type on the pan-cancer test cohort. SeNMo demonstrated robust performance on the classification task of predicting the primary cancer type of patients. SeNMo further demonstrated significant performance in predicting tertiary lymph structures from multi-omics data, showing generalizability across cancer types, molecular data types, and clinical endpoints.
Data Valuation with Gradient Similarity
Authors: Nathaniel J. Evans, Gordon B. Mills, Guanming Wu, Xubo Song, Shannon McWeeney
Date: 2024-05-13 00:00:00
Tasks: Data Valuation

High-quality data is crucial for accurate machine learning and actionable analytics, however, mislabeled or noisy data is a common problem in many domains. Distinguishing low- from high-quality data can be challenging, often requiring expert knowledge and considerable manual intervention. Data Valuation algorithms are a class of methods that seek to quantify the value of each sample in a dataset based on its contribution or importance to a given predictive task. These data values have shown an impressive ability to identify mislabeled observations, and filtering low-value data can boost machine learning performance. In this work, we present a simple alternative to existing methods, termed Data Valuation with Gradient Similarity (DVGS). This approach can be easily applied to any gradient descent learning algorithm, scales well to large datasets, and performs comparably or better than baseline valuation methods for tasks such as corrupted label discovery and noise quantification. We evaluate the DVGS method on tabular, image and RNA expression datasets to show the effectiveness of the method across domains. Our approach has the ability to rapidly and accurately identify low-quality data, which can reduce the need for expert knowledge and manual intervention in data cleaning tasks.
Interpreting Latent Student Knowledge Representations in Programming Assignments
Authors: Nigel Fernandez, Andrew Lan
Date: 2024-05-13 00:00:00

Recent advances in artificial intelligence for education leverage generative large language models, including using them to predict open-ended student responses rather than their correctness only. However, the black-box nature of these models limits the interpretability of the learned student knowledge representations. In this paper, we conduct a first exploration into interpreting latent student knowledge representations by presenting InfoOIRT, an Information regularized Open-ended Item Response Theory model, which encourages the latent student knowledge states to be interpretable while being able to generate student-written code for open-ended programming questions. InfoOIRT maximizes the mutual information between a fixed subset of latent knowledge states enforced with simple prior distributions and generated student code, which encourages the model to learn disentangled representations of salient syntactic and semantic code features including syntactic styles, mastery of programming skills, and code structures. Through experiments on a real-world programming education dataset, we show that InfoOIRT can both accurately generate student code and lead to interpretable student knowledge representations.
Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule Substrates
Authors: Zhenqiao Song, Yunlong Zhao, Wenxian Shi, Wengong Jin, Yang Yang, Lei LI
Date: 2024-05-13 00:00:00

Enzymes are genetically encoded biocatalysts capable of accelerating chemical reactions. How can we automatically design functional enzymes? In this paper, we propose EnzyGen, an approach to learn a unified model to design enzymes across all functional families. Our key idea is to generate an enzyme's amino acid sequence and their three-dimensional (3D) coordinates based on functionally important sites and substrates corresponding to a desired catalytic function. These sites are automatically mined from enzyme databases. EnzyGen consists of a novel interleaving network of attention and neighborhood equivariant layers, which captures both long-range correlation in an entire protein sequence and local influence from nearest amino acids in 3D space. To learn the generative model, we devise a joint training objective, including a sequence generation loss, a position prediction loss and an enzyme-substrate interaction loss. We further construct EnzyBench, a dataset with 3157 enzyme families, covering all available enzymes within the protein data bank (PDB). Experimental results show that our EnzyGen consistently achieves the best performance across all 323 testing families, surpassing the best baseline by 10.79% in terms of substrate binding affinity. These findings demonstrate EnzyGen's superior capability in designing well-folded and effective enzymes binding to specific substrates with high affinities.
Modeling of Time-varying Wireless Communication Channel with Fading and Shadowing
Authors: Lee Youngmin, Ma Xiaomin, Lang S. I. D Andrew
Date: 2024-05-13 00:00:00
Tasks: Deep Learning, Transfer Learning

The real-time quantification of the effect of a wireless channel on the transmitting signal is crucial for the analysis and the intelligent design of wireless communication systems for various services. Recent mechanisms to model channel characteristics independent of coding, modulation, signal processing, etc., using deep learning neural networks are promising solutions. However, the current approaches are neither statistically accurate nor able to adapt to the changing environment. In this paper, we propose a new approach that combines a deep learning neural network with a mixture density network model to derive the conditional probability density function (PDF) of receiving power given a communication distance in general wireless communication systems. Furthermore, a deep transfer learning scheme is designed and implemented to allow the channel model to dynamically adapt to changes in communication environments. Extensive experiments on Nakagami fading channel model and Log-normal shadowing channel model with path loss and noise show that the new approach is more statistically accurate, faster, and more robust than the previous deep learning-based channel models.
Barren plateaus are amplified by the dimension of qudits
Authors: Lucas Friedrich, Tiago de Souza Farias, Jonas Maziero
Date: 2024-05-13 00:00:00

Variational Quantum Algorithms (VQAs) have emerged as pivotal strategies for attaining quantum advantage in diverse scientific and technological domains, notably within Quantum Neural Networks. However, despite their potential, VQAs encounter significant obstacles, chief among them being the vanishing gradient problem, commonly referred to as barren plateaus. In this article, through meticulous analysis, we demonstrate that existing literature implicitly suggests the intrinsic influence of qudit dimensionality on barren plateaus. To instantiate these findings, we present numerical results that exemplify the impact of qudit dimensionality on barren plateaus. Therefore, despite the proposition of various error mitigation techniques, our results call for further scrutiny about their efficacy in the context of VQAs with qudits.
Probabilistic Flux Limiters
Authors: Nga T. T. Nguyen-Fotiadis, Robert Chiodi, Michael McKerns, Daniel Livescu, Andrew Sornborger
Date: 2024-05-13 00:00:00
Tasks: Numerical Integration

The stable numerical integration of shocks in compressible flow simulations relies on the reduction or elimination of Gibbs phenomena (unstable, spurious oscillations). A popular method to virtually eliminate Gibbs oscillations caused by numerical discretization in under-resolved simulations is to use a flux limiter. A wide range of flux limiters has been studied in the literature, with recent interest in their optimization via machine learning methods trained on high-resolution datasets. The common use of flux limiters in numerical codes as plug-and-play blackbox components makes them key targets for design improvement. Moreover, while aleatoric (inherent randomness) and epistemic (lack of knowledge) uncertainty is commonplace in fluid dynamical systems, these effects are generally ignored in the design of flux limiters. Even for deterministic dynamical models, numerical uncertainty is introduced via coarse-graining required by insufficient computational power to solve all scales of motion. Here, we introduce a conceptually distinct type of flux limiter that is designed to handle the effects of randomness in the model and uncertainty in model parameters. This new, {\it probabilistic flux limiter}, learned with high-resolution data, consists of a set of flux limiting functions with associated probabilities, which define the frequencies of selection for their use. Using the example of Burgers' equation, we show that a machine learned, probabilistic flux limiter may be used in a shock capturing code to more accurately capture shock profiles. In particular, we show that our probabilistic flux limiter outperforms standard limiters, and can be successively improved upon (up to a point) by expanding the set of probabilistically chosen flux limiting functions.
Do Bayesian imaging methods report trustworthy probabilities?
Authors: David Y. W. Thong, Charlesquin Kemajou Mbakam, Marcelo Pereyra
Date: 2024-05-13 00:00:00
Tasks: Denoising, GPU, Uncertainty Quantification

Bayesian statistics is a cornerstone of imaging sciences, underpinning many and varied approaches from Markov random fields to score-based denoising diffusion models. In addition to powerful image estimation methods, the Bayesian paradigm also provides a framework for uncertainty quantification and for using image data as quantitative evidence. These probabilistic capabilities are important for the rigorous interpretation of experimental results and for robust interfacing of quantitative imaging pipelines with scientific and decision-making processes. However, are the probabilities delivered by existing Bayesian imaging methods meaningful under replication of an experiment, or are they only meaningful as subjective measures of belief? This paper presents a Monte Carlo method to explore this question. We then leverage the proposed Monte Carlo method and run a large experiment requiring 1,000 GPU-hours to probe the accuracy of five canonical Bayesian imaging methods that are representative of some of the main Bayesian imaging strategies from the past decades (a score-based denoising diffusion technique, a plug-and-play Langevin algorithm utilising a Lipschitz-regularised DnCNN denoiser, a Bayesian method with a dictionary-based prior trained subject to a log-concavity constraint, an empirical Bayesian method with a total-variation prior, and a hierarchical Bayesian Gibbs sampler based on a Gaussian Markov random field model). We find that, a few cases, the probabilities reported by modern Bayesian imaging techniques are in broad agreement with long-term averages as observed over a large number of replication of an experiment, but existing Bayesian imaging methods are generally not able to deliver reliable uncertainty quantification results.
Comparative Analysis of AWS Model Deployment Services
Authors: Rahul Bagai
Date: 2024-05-13 00:00:00
Tasks: model

Amazon Web Services (AWS) offers three important Model Deployment Services for model developers: SageMaker, Lambda, and Elastic Container Service (ECS). These services have critical advantages and disadvantages, influencing model developer's adoption decisions. This comparative analysis reviews the merits and drawbacks of these services. This analysis found that Lambda AWS service leads in efficiency, autoscaling aspects, and integration during model development. However, ECS was found to be outstanding in terms of flexibility, scalability, and infrastructure control; conversely, ECS is better suited when it comes to managing complex container environments during model development, as well as addressing budget concerns -- it is, therefore, the preferred option for model developers whose objective is to achieve complete freedom and framework flexibility with horizontal scaling. ECS is better suited to ensuring performance requirements align with project goals and constraints. The AWS service selection process considered factors that include but are not limited to load balance and cost-effectiveness. ECS is a better choice when model development begins from the abstract. It offers unique benefits, such as the ability to scale horizontally and vertically, making it the best preferable tool for model deployment.
LATTE: an atomic environment descriptor based on Cartesian tensor contractions
Authors: Franco Pellegrini, Stefano de Gironcoli, Emine Küçükbenli
Date: 2024-05-13 00:00:00

We propose a new descriptor for local atomic environments, to be used in combination with machine learning models for the construction of interatomic potentials. The Local Atomic Tensors Trainable Expansion (LATTE) allows for the efficient construction of a variable number of many-body terms with learnable parameters, resulting in a descriptor that is efficient, expressive, and can be scaled to suit different accuracy and computational cost requirements. We compare this new descriptor to existing ones on several systems, showing it to be competitive with very fast potentials at one end of the spectrum, and extensible to an accuracy close to the state of the art.
AI-Cybersecurity Education Through Designing AI-based Cyberharassment Detection Lab
Authors: Ebuka Okpala, Nishant Vishwamitra, Keyan Guo, Song Liao, Long Cheng, Hongxin Hu, Yongkai Wu, Xiaohong Yuan, Jeannette Wade, Sajad Khorsandroo
Date: 2024-05-13 00:00:00

Cyberharassment is a critical, socially relevant cybersecurity problem because of the adverse effects it can have on targeted groups or individuals. While progress has been made in understanding cyber-harassment, its detection, attacks on artificial intelligence (AI) based cyberharassment systems, and the social problems in cyberharassment detectors, little has been done in designing experiential learning educational materials that engage students in this emerging social cybersecurity in the era of AI. Experiential learning opportunities are usually provided through capstone projects and engineering design courses in STEM programs such as computer science. While capstone projects are an excellent example of experiential learning, given the interdisciplinary nature of this emerging social cybersecurity problem, it can be challenging to use them to engage non-computing students without prior knowledge of AI. Because of this, we were motivated to develop a hands-on lab platform that provided experiential learning experiences to non-computing students with little or no background knowledge in AI and discussed the lessons learned in developing this lab. In this lab used by social science students at North Carolina A&T State University across two semesters (spring and fall) in 2022, students are given a detailed lab manual and are to complete a set of well-detailed tasks. Through this process, students learn AI concepts and the application of AI for cyberharassment detection. Using pre- and post-surveys, we asked students to rate their knowledge or skills in AI and their understanding of the concepts learned. The results revealed that the students moderately understood the concepts of AI and cyberharassment.
Conformalized Physics-Informed Neural Networks
Authors: Lena Podina, Mahdi Torabi Rad, Mohammad Kohandel
Date: 2024-05-13 00:00:00
Tasks: Conformal Prediction

Physics-informed neural networks (PINNs) are an influential method of solving differential equations and estimating their parameters given data. However, since they make use of neural networks, they provide only a point estimate of differential equation parameters, as well as the solution at any given point, without any measure of uncertainty. Ensemble and Bayesian methods have been previously applied to quantify the uncertainty of PINNs, but these methods may require making strong assumptions on the data-generating process, and can be computationally expensive. Here, we introduce Conformalized PINNs (C-PINNs) that, without making any additional assumptions, utilize the framework of conformal prediction to quantify the uncertainty of PINNs by providing intervals that have finite-sample, distribution-free statistical validity.
Data-driven measures of high-frequency trading
Authors: G. Ibikunle, B. Moews, D. Muravyev, K. Rzayev
Date: 2024-05-13 00:00:00

High-frequency trading (HFT) accounts for almost half of equity trading volume, yet it is not identified in public data. We develop novel data-driven measures of HFT activity that separate strategies that supply and demand liquidity. We train machine learning models to predict HFT activity observed in a proprietary dataset using concurrent public intraday data. Once trained on the dataset, these models generate HFT measures for the entire U.S. stock universe from 2010 to 2023. Our measures outperform conventional proxies, which struggle to capture HFT's time dynamics. We further validate them using shocks to HFT activity, including latency arbitrage, exchange speed bumps, and data feed upgrades. Finally, our measures reveal how HFT affects fundamental information acquisition. Liquidity-supplying HFTs improve price discovery around earnings announcements while liquidity-demanding strategies impede it.