pwc-archive/papers-with-abstracts huggingface dataset:
A Look into How Machine Learning is Reshaping Engineering Models: the Rise of Analysis Paralysis, Optimal yet Infeasible Solutions, and the Inevitable Rashomon Paradox
Authors: MZ Naser
Date: 2025-01-09 00:00:00

The widespread acceptance of empirically derived codal provisions and equations in civil engineering stands in stark contrast to the skepticism facing machine learning (ML) models, despite their shared statistical foundations. This paper examines this philosophical tension through the lens of structural engineering and explores how integrating ML challenges traditional engineering philosophies and professional identities. Recent efforts have documented how ML enhances predictive accuracy, optimizes designs, and analyzes complex behaviors. However, one might also raise concerns about the diminishing role of human intuition and the interpretability of algorithms. To showcase this rarely explored front, this paper presents how ML can be successfully integrated into various engineering problems by means of formulation via deduction, induction, and abduction. Then, this paper identifies three principal paradoxes that could arise when adopting ML: analysis paralysis (increased prediction accuracy leading to a reduced understanding of physical mechanisms), infeasible solutions (optimization resulting in unconventional designs that challenge engineering intuition), and the Rashomon effect (where contradictions in explainability methods and physics arise). This paper concludes by addressing these paradoxes and arguing the need to rethink epistemological shifts in engineering and engineering education and methodologies to harmonize traditional principles with ML.
Geophysical inverse problems with measurement-guided diffusion models
Authors: Matteo Ravasi
Date: 2025-01-08 00:00:00
Tasks: Denoising, Seismic Inversion, Uncertainty Quantification

Solving inverse problems with the reverse process of a diffusion model represents an appealing avenue to produce highly realistic, yet diverse solutions from incomplete and possibly noisy measurements, ultimately enabling uncertainty quantification at scale. However, because of the intractable nature of the score function of the likelihood term (i.e., $\nabla_{\mathbf{x}_t} p(\mathbf{y} | \mathbf{x}_t)$), various samplers have been proposed in the literature that use different (more or less accurate) approximations of such a gradient to guide the diffusion process towards solutions that match the observations. In this work, I consider two sampling algorithms recently proposed under the name of Diffusion Posterior Sampling (DPS) and Pseudo-inverse Guided Diffusion Model (PGDM), respectively. In DSP, the guidance term used at each step of the reverse diffusion process is obtained by applying the adjoint of the modeling operator to the residual obtained from a one-step denoising estimate of the solution. On the other hand, PGDM utilizes a pseudo-inverse operator that originates from the fact that the one-step denoised solution is not assumed to be deterministic, rather modeled as a Gaussian distribution. Through an extensive set of numerical examples on two geophysical inverse problems (namely, seismic interpolation and seismic inversion), I show that two key aspects for the success of any measurement-guided diffusion process are: i) our ability to re-parametrize the inverse problem such that the sought after model is bounded between -1 and 1 (a pre-requisite for any diffusion model); ii) the choice of the training dataset used to learn the implicit prior that guides the reverse diffusion process. Numerical examples on synthetic and field datasets reveal that PGDM outperforms DPS in both scenarios at limited additional cost.
Leveraging Log Probabilities in Language Models to Forecast Future Events
Authors: Tommaso Soru, Jim Marshall
Date: 2025-01-08 00:00:00
Tasks: Decision Making

In the constantly changing field of data-driven decision making, accurately predicting future events is crucial for strategic planning in various sectors. The emergence of Large Language Models (LLMs) marks a significant advancement in this area, offering advanced tools that utilise extensive text data for prediction. In this industry paper, we introduce a novel method for AI-driven foresight using LLMs. Building on top of previous research, we employ data on current trends and their trajectories for generating forecasts on 15 different topics. Subsequently, we estimate their probabilities via a multi-step approach based on log probabilities. We show we achieve a Brier score of 0.186, meaning a +26% improvement over random chance and a +19% improvement over widely-available AI systems.
Multilinear Tensor Low-Rank Approximation for Policy-Gradient Methods in Reinforcement Learning
Authors: Sergio Rozada, Hoi-To Wai, Antonio G. Marques
Date: 2025-01-08 00:00:00
Tasks: Policy Gradient Methods, Reinforcement Learning (RL)

Reinforcement learning (RL) aims to estimate the action to take given a (time-varying) state, with the goal of maximizing a cumulative reward function. Predominantly, there are two families of algorithms to solve RL problems: value-based and policy-based methods, with the latter designed to learn a probabilistic parametric policy from states to actions. Most contemporary approaches implement this policy using a neural network (NN). However, NNs usually face issues related to convergence, architectural suitability, hyper-parameter selection, and underutilization of the redundancies of the state-action representations (e.g. locally similar states). This paper postulates multi-linear mappings to efficiently estimate the parameters of the RL policy. More precisely, we leverage the PARAFAC decomposition to design tensor low-rank policies. The key idea involves collecting the policy parameters into a tensor and leveraging tensor-completion techniques to enforce low rank. We establish theoretical guarantees of the proposed methods for various policy classes and validate their efficacy through numerical experiments. Specifically, we demonstrate that tensor low-rank policy models reduce computational and sample complexities in comparison to NN models while achieving similar rewards.
RieszBoost: Gradient Boosting for Riesz Regression
Authors: Kaitlyn J. Lee, Alejandro Schuler
Date: 2025-01-08 00:00:00
Tasks: Form, regression

Answering causal questions often involves estimating linear functionals of conditional expectations, such as the average treatment effect or the effect of a longitudinal modified treatment policy. By the Riesz representation theorem, these functionals can be expressed as the expected product of the conditional expectation of the outcome and the Riesz representer, a key component in doubly robust estimation methods. Traditionally, the Riesz representer is estimated indirectly by deriving its explicit analytical form, estimating its components, and substituting these estimates into the known form (e.g., the inverse propensity score). However, deriving or estimating the analytical form can be challenging, and substitution methods are often sensitive to practical positivity violations, leading to higher variance and wider confidence intervals. In this paper, we propose a novel gradient boosting algorithm to directly estimate the Riesz representer without requiring its explicit analytical form. This method is particularly suited for tabular data, offering a flexible, nonparametric, and computationally efficient alternative to existing methods for Riesz regression. Through simulation studies, we demonstrate that our algorithm performs on par with or better than indirect estimation techniques across a range of functionals, providing a user-friendly and robust solution for estimating causal quantities.
Deep Transfer $Q$-Learning for Offline Non-Stationary Reinforcement Learning
Authors: Jinhang Chai, Elynn Chen, Jianqing Fan
Date: 2025-01-08 00:00:00
Tasks: Decision Making, Inductive Learning, Q-Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Transfer Learning

In dynamic decision-making scenarios across business and healthcare, leveraging sample trajectories from diverse populations can significantly enhance reinforcement learning (RL) performance for specific target populations, especially when sample sizes are limited. While existing transfer learning methods primarily focus on linear regression settings, they lack direct applicability to reinforcement learning algorithms. This paper pioneers the study of transfer learning for dynamic decision scenarios modeled by non-stationary finite-horizon Markov decision processes, utilizing neural networks as powerful function approximators and backward inductive learning. We demonstrate that naive sample pooling strategies, effective in regression settings, fail in Markov decision processes.To address this challenge, we introduce a novel ``re-weighted targeting procedure'' to construct ``transferable RL samples'' and propose ``transfer deep $Q^*$-learning'', enabling neural network approximation with theoretical guarantees. We assume that the reward functions are transferable and deal with both situations in which the transition densities are transferable or nontransferable. Our analytical techniques for transfer learning in neural network approximation and transition density transfers have broader implications, extending to supervised transfer learning with neural networks and domain shift scenarios. Empirical experiments on both synthetic and real datasets corroborate the advantages of our method, showcasing its potential for improving decision-making through strategically constructing transferable RL samples in non-stationary reinforcement learning contexts.
Intelligent experiments through real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and future EIC detectors
Authors: J. Kvapil, G. Borca-Tasciuc, H. Bossi, K. Chen, Y. Chen, Y. Corrales Morales, H. Da Costa, C. Da Silva, C. Dean, J. Durham, S. Fu, C. Hao, P. Harris, O. Hen, H. Jheng, Y. Lee, P. Li, X. Li, Y. Lin, M. X. Liu, V. Loncar, J. P. Mitrevski, A. Olvera, M. L. Purschke, J. S. Renck, G. Roland, J. Schambach, Z. Shi, N. Tran, N. Wuerfel, B. Xu, D. Yu, H. Zhang
Date: 2025-01-08 00:00:00
Tasks: Graph Neural Network, High-Level Synthesis

This R\&D project, initiated by the DOE Nuclear Physics AI-Machine Learning initiative in 2022, leverages AI to address data processing challenges in high-energy nuclear experiments (RHIC, LHC, and future EIC). Our focus is on developing a demonstrator for real-time processing of high-rate data streams from sPHENIX experiment tracking detectors. The limitations of a 15 kHz maximum trigger rate imposed by the calorimeters can be negated by intelligent use of streaming technology in the tracking system. The approach efficiently identifies low momentum rare heavy flavor events in high-rate p+p collisions (3MHz), using Graph Neural Network (GNN) and High Level Synthesis for Machine Learning (hls4ml). Success at sPHENIX promises immediate benefits, minimizing resources and accelerating the heavy-flavor measurements. The approach is transferable to other fields. For the EIC, we develop a DIS-electron tagger using Artificial Intelligence - Machine Learning (AI-ML) algorithms for real-time identification, showcasing the transformative potential of AI and FPGA technologies in high-energy nuclear and particle experiments real-time data processing pipelines.
Quantum Hybrid Support Vector Machines for Stress Detection in Older Adults
Authors: Md Saif Hassan Onim, Travis S. Humble, Himanshu Thapliyal
Date: 2025-01-08 00:00:00
Tasks: Anomaly Detection, Diagnostic, Quantum Machine Learning

Stress can increase the possibility of cognitive impairment and decrease the quality of life in older adults. Smart healthcare can deploy quantum machine learning to enable preventive and diagnostic support. This work introduces a unique technique to address stress detection as an anomaly detection problem that uses quantum hybrid support vector machines. With the help of a wearable smartwatch, we mapped baseline sensor reading as normal data and stressed sensor reading as anomaly data using cortisol concentration as the ground truth. We have used quantum computing techniques to explore the complex feature spaces with kernel-based preprocessing. We illustrate the usefulness of our method by doing experimental validation on 40 older adults with the help of the TSST protocol. Our findings highlight that using a limited number of features, quantum machine learning provides improved accuracy compared to classical methods. We also observed that the recall value using quantum machine learning is higher compared to the classical method. The higher recall value illustrates the potential of quantum machine learning in healthcare, as missing anomalies could result in delayed diagnostics or treatment.
Probabilistic Skip Connections for Deterministic Uncertainty Quantification in Deep Neural Networks
Authors: Felix Jimenez, Matthias Katzfuss
Date: 2025-01-08 00:00:00
Tasks: Out of Distribution (OOD) Detection, Uncertainty Quantification

Deterministic uncertainty quantification (UQ) in deep learning aims to estimate uncertainty with a single pass through a network by leveraging outputs from the network's feature extractor. Existing methods require that the feature extractor be both sensitive and smooth, ensuring meaningful input changes produce meaningful changes in feature vectors. Smoothness enables generalization, while sensitivity prevents feature collapse, where distinct inputs are mapped to identical feature vectors. To meet these requirements, current deterministic methods often retrain networks with spectral normalization. Instead of modifying training, we propose using measures of neural collapse to identify an existing intermediate layer that is both sensitive and smooth. We then fit a probabilistic model to the feature vector of this intermediate layer, which we call a probabilistic skip connection (PSC). Through empirical analysis, we explore the impact of spectral normalization on neural collapse and demonstrate that PSCs can effectively disentangle aleatoric and epistemic uncertainty. Additionally, we show that PSCs achieve uncertainty quantification and out-of-distribution (OOD) detection performance that matches or exceeds existing single-pass methods requiring training modifications. By retrofitting existing models, PSCs enable high-quality UQ and OOD capabilities without retraining.
Fast, Fine-Grained Equivalence Checking for Neural Decompilers
Authors: Luke Dramko, Claire Le Goues, Edward J. Schwartz
Date: 2025-01-08 00:00:00

Neural decompilers are machine learning models that reconstruct the source code from an executable program. Critical to the lifecycle of any machine learning model is an evaluation of its effectiveness. However, existing techniques for evaluating neural decompilation models have substantial weaknesses, especially when it comes to showing the correctness of the neural decompiler's predictions. To address this, we introduce codealign, a novel instruction-level code equivalence technique designed for neural decompilers. We provide a formal definition of a relation between equivalent instructions, which we term an equivalence alignment. We show how codealign generates equivalence alignments, then evaluate codealign by comparing it with symbolic execution. Finally, we show how the information codealign provides-which parts of the functions are equivalent and how well the variable names match-is substantially more detailed than existing state-of-the-art evaluation metrics, which report unitless numbers measuring similarity.
A Steerable Deep Network for Model-Free Diffusion MRI Registration
Authors: Gianfranco Cortes, Xiaoda Qu, Baba C. Vemuri
Date: 2025-01-08 00:00:00
Tasks: Diffusion  MRI, Medical Image Analysis

Nonrigid registration is vital to medical image analysis but remains challenging for diffusion MRI (dMRI) due to its high-dimensional, orientation-dependent nature. While classical methods are accurate, they are computationally demanding, and deep neural networks, though efficient, have been underexplored for nonrigid dMRI registration compared to structural imaging. We present a novel, deep learning framework for model-free, nonrigid registration of raw diffusion MRI data that does not require explicit reorientation. Unlike previous methods relying on derived representations such as diffusion tensors or fiber orientation distribution functions, in our approach, we formulate the registration as an equivariant diffeomorphism of position-and-orientation space. Central to our method is an $\mathsf{SE}(3)$-equivariant UNet that generates velocity fields while preserving the geometric properties of a raw dMRI's domain. We introduce a new loss function based on the maximum mean discrepancy in Fourier space, implicitly matching ensemble average propagators across images. Experimental results on Human Connectome Project dMRI data demonstrate competitive performance compared to state-of-the-art approaches, with the added advantage of bypassing the overhead for estimating derived representations. This work establishes a foundation for data-driven, geometry-aware dMRI registration directly in the acquisition space.
Leveraging Registers in Vision Transformers for Robust Adaptation
Authors: Srikar Yellapragada, Kowshik Thopalli, Vivek Narayanaswamy, Wesam Sakla, Yang Liu, Yamen Mubarka, Dimitris Samaras, Jayaraman J. Thiagarajan
Date: 2025-01-08 00:00:00
Tasks: Anomaly Detection, Object Discovery

Vision Transformers (ViTs) have shown success across a variety of tasks due to their ability to capture global image representations. Recent studies have identified the existence of high-norm tokens in ViTs, which can interfere with unsupervised object discovery. To address this, the use of "registers" which are additional tokens that isolate high norm patch tokens while capturing global image-level information has been proposed. While registers have been studied extensively for object discovery, their generalization properties particularly in out-of-distribution (OOD) scenarios, remains underexplored. In this paper, we examine the utility of register token embeddings in providing additional features for improving generalization and anomaly rejection. To that end, we propose a simple method that combines the special CLS token embedding commonly employed in ViTs with the average-pooled register embeddings to create feature representations which are subsequently used for training a downstream classifier. We find that this enhances OOD generalization and anomaly rejection, while maintaining in-distribution (ID) performance. Extensive experiments across multiple ViT backbones trained with and without registers reveal consistent improvements of 2-4\% in top-1 OOD accuracy and a 2-3\% reduction in false positive rates for anomaly detection. Importantly, these gains are achieved without additional computational overhead.
Efficient and Responsible Adaptation of Large Language Models for Robust and Equitable Top-k Recommendations
Authors: Kirandeep Kaur, Manya Chadha, Vinayak Gupta, Chirag Shah
Date: 2025-01-08 00:00:00
Tasks: In-Context Learning, Recommendation Systems

Conventional recommendation systems (RSs) are typically optimized to enhance performance metrics uniformly across all training samples, inadvertently overlooking the needs of diverse user populations. The performance disparity among various populations can harm the model's robustness to sub-populations due to the varying user properties. While large language models (LLMs) show promise in enhancing RS performance, their practical applicability is hindered by high costs, inference latency, and degraded performance on long user queries. To address these challenges, we propose a hybrid task allocation framework designed to promote social good by equitably serving all user groups. By adopting a two-phase approach, we promote a strategic assignment of tasks for efficient and responsible adaptation of LLMs. Our strategy works by first identifying the weak and inactive users that receive a suboptimal ranking performance by RSs. Next, we use an in-context learning approach for such users, wherein each user interaction history is contextualized as a distinct ranking task. We evaluate our hybrid framework by incorporating eight different recommendation algorithms and three different LLMs -- both open and close-sourced. Our results on three real-world datasets show a significant reduction in weak users and improved robustness to subpopulations without disproportionately escalating costs.
DAREK -- Distance Aware Error for Kolmogorov Networks
Authors: Masoud Ataei, Mohammad Javad Khojasteh, Vikas Dhiman
Date: 2025-01-08 00:00:00
Tasks: Kolmogorov-Arnold Networks

In this paper, we provide distance-aware error bounds for Kolmogorov Arnold Networks (KANs). We call our new error bounds estimator DAREK -- Distance Aware Error for Kolmogorov networks. Z. Liu et al. provide error bounds, which may be loose, lack distance-awareness, and are defined only up to an unknown constant of proportionality. We review the error bounds for Newton's polynomial, which is then generalized to an arbitrary spline, under Lipschitz continuity assumptions. We then extend these bounds to nested compositions of splines, arriving at error bounds for KANs. We evaluate our method by estimating an object's shape from sparse laser scan points. We use KAN to fit a smooth function to the scans and provide error bounds for the fit. We find that our method is faster than Monte Carlo approaches, and that our error bounds enclose the true obstacle shape reliably.
Efficient License Plate Recognition in Videos Using Visual Rhythm and Accumulative Line Analysis
Authors: Victor Nascimento Ribeiro, Nina S. T. Hirata
Date: 2025-01-08 00:00:00
Tasks: License Plate Detection, License Plate Recognition, Optical Character Recognition, Optical Character Recognition (OCR), Rhythm

Video-based Automatic License Plate Recognition (ALPR) involves extracting vehicle license plate text information from video captures. Traditional systems typically rely heavily on high-end computing resources and utilize multiple frames to recognize license plates, leading to increased computational overhead. In this paper, we propose two methods capable of efficiently extracting exactly one frame per vehicle and recognizing its license plate characters from this single image, thus significantly reducing computational demands. The first method uses Visual Rhythm (VR) to generate time-spatial images from videos, while the second employs Accumulative Line Analysis (ALA), a novel algorithm based on single-line video processing for real-time operation. Both methods leverage YOLO for license plate detection within the frame and a Convolutional Neural Network (CNN) for Optical Character Recognition (OCR) to extract textual information. Experiments on real videos demonstrate that the proposed methods achieve results comparable to traditional frame-by-frame approaches, with processing speeds three times faster.