pwc-archive/papers-with-abstracts huggingface dataset:
Improved Image Reconstruction and Diffusion Parameter Estimation Using a Temporal Convolutional Network Model of Gradient Trajectory Errors
Authors: Jonathan B. Martin, Hannah E. Alderson, John C. Gore, Mark D. Does, Kevin D. Harkins
Date: 2025-06-17 00:00:00
Tasks: Image Reconstruction, parameter estimation

Summary: Errors in gradient trajectories introduce significant artifacts and distortions in magnetic resonance images, particularly in non-Cartesian imaging sequences, where imperfect gradient waveforms can greatly reduce image quality. Purpose: Our objective is to develop a general, nonlinear gradient system model that can accurately predict gradient distortions using convolutional networks. Methods: A set of training gradient waveforms were measured on a small animal imaging system, and used to train a temporal convolutional network to predict the gradient waveforms produced by the imaging system. Results: The trained network was able to accurately predict nonlinear distortions produced by the gradient system. Network prediction of gradient waveforms was incorporated into the image reconstruction pipeline and provided improvements in image quality and diffusion parameter mapping compared to both the nominal gradient waveform and the gradient impulse response function. Conclusion: Temporal convolutional networks can more accurately model gradient system behavior than existing linear methods and may be used to retrospectively correct gradient errors.
Automated Treatment Planning for Interstitial HDR Brachytherapy for Locally Advanced Cervical Cancer using Deep Reinforcement Learning
Authors: Mohammadamin Moradi, Runyu Jiang, Yingzi Liu, Malvern Madondo, Tianming Wu, James J. Sohn, Xiaofeng Yang, Yasmin Hasan, Zhen Tian
Date: 2025-06-13 00:00:00
Tasks: Deep Reinforcement Learning, Reinforcement Learning (RL)

High-dose-rate (HDR) brachytherapy plays a critical role in the treatment of locally advanced cervical cancer but remains highly dependent on manual treatment planning expertise. The objective of this study is to develop a fully automated HDR brachytherapy planning framework that integrates reinforcement learning (RL) and dose-based optimization to generate clinically acceptable treatment plans with improved consistency and efficiency. We propose a hierarchical two-stage autoplanning framework. In the first stage, a deep Q-network (DQN)-based RL agent iteratively selects treatment planning parameters (TPPs), which control the trade-offs between target coverage and organ-at-risk (OAR) sparing. The agent's state representation includes both dose-volume histogram (DVH) metrics and current TPP values, while its reward function incorporates clinical dose objectives and safety constraints, including D90, V150, V200 for targets, and D2cc for all relevant OARs (bladder, rectum, sigmoid, small bowel, and large bowel). In the second stage, a customized Adam-based optimizer computes the corresponding dwell time distribution for the selected TPPs using a clinically informed loss function. The framework was evaluated on a cohort of patients with complex applicator geometries. The proposed framework successfully learned clinically meaningful TPP adjustments across diverse patient anatomies. For the unseen test patients, the RL-based automated planning method achieved an average score of 93.89%, outperforming the clinical plans which averaged 91.86%. These findings are notable given that score improvements were achieved while maintaining full target coverage and reducing CTV hot spots in most cases.
Demonstrating Superresolution in Radar Range Estimation Using a Denoising Autoencoder
Authors: Robert Czupryniak, Abhishek Chakraborty, Andrew N. Jordan, John C. Howell
Date: 2025-06-17 00:00:00
Tasks: Denoising, Dimensionality Reduction

We apply machine learning methods to demonstrate range superresolution in remote sensing radar detection. Specifically, we implement a denoising autoencoder to estimate the distance between two equal intensity scatterers in the subwavelength regime. The machine learning models are trained on waveforms subject to a bandlimit constraint such that ranges much smaller than the inverse bandlimit are optimized in their precision. The autoencoder achieves effective dimensionality reduction, with the bottleneck layer exhibiting a strong and consistent correlation with the true scatterer separation. We confirm reproducibility across different training sessions and network initializations by analyzing the scaled encoder outputs and their robustness to noise. We investigate the behavior of the bottleneck layer for the following types of pulses: a traditional sinc pulse, a bandlimited triangle-type pulse, and a theoretically near-optimal pulse created from a spherical Bessel function basis. The Bessel signal performs best, followed by the triangle wave, with the sinc signal performing worst, highlighting the crucial role of signal design in the success of machine-learning-based range resolution.
ConStellaration: A dataset of QI-like stellarator plasma boundaries and optimization benchmarks
Authors: Santiago A. Cadena, Andrea Merlo, Emanuel Laude, Alexander Bauer, Atul Agrawal, Maria Pascu, Marija Savtchouk, Enrico Guiraud, Lukas Bonauer, Stuart Hudson, Markus Kaiser
Date: 2025-06-24 00:00:00

Stellarators are magnetic confinement devices under active development to deliver steady-state carbon-free fusion energy. Their design involves a high-dimensional, constrained optimization problem that requires expensive physics simulations and significant domain expertise. Recent advances in plasma physics and open-source tools have made stellarator optimization more accessible. However, broader community progress is currently bottlenecked by the lack of standardized optimization problems with strong baselines and datasets that enable data-driven approaches, particularly for quasi-isodynamic (QI) stellarator configurations, considered as a promising path to commercial fusion due to their inherent resilience to current-driven disruptions. Here, we release an open dataset of diverse QI-like stellarator plasma boundary shapes, paired with their ideal magnetohydrodynamic (MHD) equilibria and performance metrics. We generated this dataset by sampling a variety of QI fields and optimizing corresponding stellarator plasma boundaries. We introduce three optimization benchmarks of increasing complexity: (1) a single-objective geometric optimization problem, (2) a "simple-to-build" QI stellarator, and (3) a multi-objective ideal-MHD stable QI stellarator that investigates trade-offs between compactness and coil simplicity. For every benchmark, we provide reference code, evaluation scripts, and strong baselines based on classical optimization techniques. Finally, we show how learned models trained on our dataset can efficiently generate novel, feasible configurations without querying expensive physics oracles. By openly releasing the dataset along with benchmark problems and baselines, we aim to lower the entry barrier for optimization and machine learning researchers to engage in stellarator design and to accelerate cross-disciplinary progress toward bringing fusion energy to the grid.
Active Inference AI Systems for Scientific Discovery
Authors: Karthik Duraisamy
Date: 2025-06-26 00:00:00
Tasks: counterfactual, Counterfactual Reasoning, Knowledge Graphs, scientific discovery

The rapid evolution of artificial intelligence has led to expectations of transformative scientific discovery, yet current systems remain fundamentally limited by their operational architectures, brittle reasoning mechanisms, and their separation from experimental reality. Building on earlier work, we contend that progress in AI-driven science now depends on closing three fundamental gaps -- the abstraction gap, the reasoning gap, and the reality gap -- rather than on model size/data/test time compute. Scientific reasoning demands internal representations that support simulation of actions and response, causal structures that distinguish correlation from mechanism, and continuous calibration. We define active inference AI systems for scientific discovery as those that (i) maintain long-lived research memories grounded in causal self-supervised foundation models, (ii) symbolic or neuro-symbolic planners equipped with Bayesian guardrails, (iii) grow persistent knowledge graphs where thinking generates novel conceptual nodes, reasoning establishes causal edges, and real-world interaction prunes false connections while strengthening verified pathways, and (iv) refine their internal representations through closed-loop interaction with both high-fidelity simulators and automated laboratories - an operational loop where mental simulation guides action and empirical surprise reshapes understanding. In essence, we outline an architecture where discovery arises from the interplay between internal models that enable counterfactual reasoning and external validation that grounds hypotheses in reality. It is also argued that the inherent ambiguity in feedback from simulations and experiments, and underlying uncertainties makes human judgment indispensable, not as a temporary scaffold but as a permanent architectural component.
Evaluation of Nuclear Microreactor Cost-competitiveness in Current Electricity Markets Considering Reactor Cost Uncertainties
Authors: Muhammad R. Abdusammi, Ikhwan Khaleb, Fei Gao, Aditi Verma
Date: 2025-06-16 00:00:00

This paper evaluates the cost competitiveness of microreactors in today's electricity markets, with a focus on uncertainties in reactor costs. A Genetic Algorithm (GA) is used to optimize key technical parameters, such as reactor capacity, fuel enrichment, tail enrichment, refueling interval, and discharge burnup, to minimize the Levelized Cost of Energy (LCOE). Base case results are validated using Simulated Annealing (SA). By incorporating Probability Distribution Functions (PDFs) for fuel cycle costs, the study identifies optimal configurations under uncertainty. Methodologically, it introduces a novel framework combining probabilistic cost modeling with evolutionary optimization. Results show that microreactors can remain cost-competitive, with LCOEs ranging from \$48.21/MWh to \$78.32/MWh when supported by the Production Tax Credit (PTC). High reactor capacity, low fuel enrichment, moderate tail enrichment and refueling intervals, and high discharge burnup enhance cost efficiency. Among all factors, overnight capital cost (OCC) has the most significant impact on LCOE, while O&M and fuel cost uncertainties have lesser effects. The analysis highlights how energy policies like the PTC can reduce LCOE by 22-24%, improving viability despite cost variability. Compared to conventional nuclear, coal, and renewable sources like offshore wind, hydro, and biomass, optimized microreactors show strong economic potential. This research defines a realistic design space and key trade-offs, offering actionable insights for policymakers, reactor designers, and energy planners aiming to accelerate the deployment of affordable, sustainable microreactors.
CAM-NET: An AI Model for Whole Atmosphere with Thermosphere and Ionosphere Extension
Authors: Jiahui Hu, Wenjun Dong
Date: 2025-06-24 00:00:00
Tasks: Computational Efficiency

We present Compressible Atmospheric Model-Network (CAM-NET), an AI model designed to predict neutral atmospheric variables from the Earth's surface to the ionosphere with high accuracy and computational efficiency. Accurate modeling of the entire atmosphere is critical for understanding the upward propagation of gravity waves, which influence upper-atmospheric dynamics and coupling across atmospheric layers. CAM-NET leverages the Spherical Fourier Neural Operator (SFNO) to capture global-scale atmospheric dynamics while preserving the Earth's spherical structure. Trained on a decade of datasets from the Whole Atmosphere Community Climate Model with thermosphere and ionosphere eXtension (WACCM-X), CAM-NET demonstrates accuracy comparable to WACCM-X while achieving a speedup of over 1000x in inference time, can provide one year simulation within a few minutes once trained. The model effectively predicts key atmospheric parameters, including zonal and meridional winds, temperature, and time rate of pressure. Inspired by traditional modeling approaches that use external couplers to simulate tracer transport, CAM-NET introduces a modular architecture that explicitly separates tracer prediction from core dynamics. The core backbone of CAM-NET focuses on forecasting primary physical variables (e.g., temperature, wind velocity), while tracer variables are predicted through a lightweight, fine-tuned model. This design allows for efficient adaptation to specific tracer scenarios with minimal computational cost, avoiding the need to retrain the entire model. We have validated this approach on the $O^2$ tracer, demonstrating strong performance and generalization capabilities.
Rethinking LLM Training through Information Geometry and Quantum Metrics
Authors: Riccardo Di Sipio
Date: 2025-06-18 00:00:00

Optimization in large language models (LLMs) unfolds over high-dimensional parameter spaces with non-Euclidean structure. Information geometry frames this landscape using the Fisher information metric, enabling more principled learning via natural gradient descent. Though often impractical, this geometric lens clarifies phenomena such as sharp minima, generalization, and observed scaling laws. We argue that curvature-aware approaches deepen our understanding of LLM training. Finally, we speculate on quantum analogies based on the Fubini-Study metric and Quantum Fisher Information, hinting at efficient optimization in quantum-enhanced systems.
HybridQ: Hybrid Classical-Quantum Generative Adversarial Network for Skin Disease Image Generation
Authors: Qingyue Jiao, Kangyu Zheng, Yiyu Shi, Zhiding Liang
Date: 2025-06-26 00:00:00
Tasks: Data Augmentation, Generative Adversarial Network, Image Generation

Machine learning-assisted diagnosis is gaining traction in skin disease detection, but training effective models requires large amounts of high-quality data. Skin disease datasets often suffer from class imbalance, privacy concerns, and object bias, making data augmentation essential. While classical generative models are widely used, they demand extensive computational resources and lengthy training time. Quantum computing offers a promising alternative, but existing quantum-based image generation methods can only yield grayscale low-quality images. Through a novel classical-quantum latent space fusion technique, our work overcomes this limitation and introduces the first classical-quantum generative adversarial network (GAN) capable of generating color medical images. Our model outperforms classical deep convolutional GANs and existing hybrid classical-quantum GANs in both image generation quality and classification performance boost when used as data augmentation. Moreover, the performance boost is comparable with that achieved using state-of-the-art classical generative models, yet with over 25 times fewer parameters and 10 times fewer training epochs. Such results suggest a promising future for quantum image generation as quantum hardware advances. Finally, we demonstrate the robust performance of our model on real IBM quantum machine with hardware noise.
Quantum Reinforcement Learning Trading Agent for Sector Rotation in the Taiwan Stock Market
Authors: Chi-Sheng Chen, Xinyu Zhang, Ya-Chuan Chen
Date: 2025-06-26 00:00:00
Tasks: Automated Feature Engineering, Feature Engineering, reinforcement-learning, Reinforcement Learning

We propose a hybrid quantum-classical reinforcement learning framework for sector rotation in the Taiwan stock market. Our system employs Proximal Policy Optimization (PPO) as the backbone algorithm and integrates both classical architectures (LSTM, Transformer) and quantum-enhanced models (QNN, QRWKV, QASA) as policy and value networks. An automated feature engineering pipeline extracts financial indicators from capital share data to ensure consistent model input across all configurations. Empirical backtesting reveals a key finding: although quantum-enhanced models consistently achieve higher training rewards, they underperform classical models in real-world investment metrics such as cumulative return and Sharpe ratio. This discrepancy highlights a core challenge in applying reinforcement learning to financial domains -- namely, the mismatch between proxy reward signals and true investment objectives. Our analysis suggests that current reward designs may incentivize overfitting to short-term volatility rather than optimizing risk-adjusted returns. This issue is compounded by the inherent expressiveness and optimization instability of quantum circuits under Noisy Intermediate-Scale Quantum (NISQ) constraints. We discuss the implications of this reward-performance gap and propose directions for future improvement, including reward shaping, model regularization, and validation-based early stopping. Our work offers a reproducible benchmark and critical insights into the practical challenges of deploying quantum reinforcement learning in real-world finance.
Quantum-Accelerated Wireless Communications: Concepts, Connections, and Implications
Authors: Naoki Ishikawa, Giuseppe Thadeu Freitas de Abreu, Petar Popovski, Robert W. Heath Jr
Date: 2025-06-25 00:00:00

Quantum computing is poised to redefine the algorithmic foundations of communication systems. While quantum superposition and entanglement enable quadratic or exponential speedups for specific problems, identifying use cases where these advantages yield engineering benefits is, however, still nontrivial. This article presents the fundamentals of quantum computing in a style familiar to the communications society, outlining the current limits of fault-tolerant quantum computing and uncovering a mathematical harmony between quantum and wireless systems, which makes the topic more enticing to wireless researchers. Based on a systematic review of pioneering and state-of-the-art studies, we distill common design trends for the research and development of quantum-accelerated communication systems and highlight lessons learned. The key insight is that classical heuristics can sharpen certain quantum parameters, underscoring the complementary strengths of classical and quantum computing. This article aims to catalyze interdisciplinary research at the frontier of quantum information processing and future communication systems.
A Unified Framework for UAV-Based Free-Space Quantum Links: Beam Shaping and Adaptive Field-of-View Control
Authors: Mohammad Taghi Dabiri, Mazen Hasna, Saif Al-Kuwari, Khalid Qaraqe
Date: 2025-06-25 00:00:00

This paper develops a comprehensive analytical framework for modeling and performance evaluation of unmanned aerial vehicles (UAVs)-to-ground quantum communication links, incorporating key physical impairments such as beam divergence, pointing errors at both transmitter and receiver, atmospheric attenuation, turbulence-induced fading, narrow field-of-view (FoV) filtering, and background photon noise. To overcome the limitations of conventional wide-beam assumptions, we introduce a grid-based approximation for photon capture probability that remains accurate under tightly focused beams. Analytical expressions are derived for the quantum key generation rate and quantum bit error rate (QBER), enabling fast and reliable system-level evaluation. Our results reveal that secure quantum key distribution (QKD) over UAV-based free-space optical (FSO) links requires beam waists below 10 cm and sub-milliradian tracking precision to achieve Mbps-level key rates and QBER below $10^{-3}$. Additionally, we highlight the critical role of receiver FoV in balancing background noise rejection and misalignment tolerance, and propose adaptive FoV tuning strategies under varying illumination and alignment conditions. The proposed framework provides a tractable and accurate tool for the design, optimization, and deployment of next-generation airborne quantum communication systems.
Q2SAR: A Quantum Multiple Kernel Learning Approach for Drug Discovery
Authors: Alejandro Giraldo, Daniel Ruiz, Mariano Caruso, Javier Mancilla, Guido Bellomo
Date: 2025-06-17 00:00:00
Tasks: Benchmarking, Drug Discovery

Quantitative Structure-Activity Relationship (QSAR) modeling is a cornerstone of computational drug discovery. This research demonstrates the successful application of a Quantum Multiple Kernel Learning (QMKL) framework to enhance QSAR classification, showing a notable performance improvement over classical methods. We apply this methodology to a dataset for identifying DYRK1A kinase inhibitors. The workflow involves converting SMILES representations into numerical molecular descriptors, reducing dimensionality via Principal Component Analysis (PCA), and employing a Support Vector Machine (SVM) trained on an optimized combination of multiple quantum and classical kernels. By benchmarking the QMKL-SVM against a classical Gradient Boosting model, we show that the quantum-enhanced approach achieves a superior AUC score, highlighting its potential to provide a quantum advantage in challenging cheminformatics classification tasks.
Conservative quantum offline model-based optimization
Authors: Kristian Sotirov, Annie E. Paine, Savvas Varsamopoulos, Antonio A. Gentile, Osvaldo Simeone
Date: 2025-06-24 00:00:00
Tasks: model

Offline model-based optimization (MBO) refers to the task of optimizing a black-box objective function using only a fixed set of prior input-output data, without any active experimentation. Recent work has introduced quantum extremal learning (QEL), which leverages the expressive power of variational quantum circuits to learn accurate surrogate functions by training on a few data points. However, as widely studied in the classical machine learning literature, predictive models may incorrectly extrapolate objective values in unexplored regions, leading to the selection of overly optimistic solutions. In this paper, we propose integrating QEL with conservative objective models (COM) - a regularization technique aimed at ensuring cautious predictions on out-of-distribution inputs. The resulting hybrid algorithm, COM-QEL, builds on the expressive power of quantum neural networks while safeguarding generalization via conservative modeling. Empirical results on benchmark optimization tasks demonstrate that COM-QEL reliably finds solutions with higher true objective values compared to the original QEL, validating its superiority for offline design problems.
Iterative Quantum Feature Maps
Authors: Nasa Matsumoto, Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo, Hirotaka Oshima
Date: 2025-06-24 00:00:00
Tasks: Contrastive Learning, image-classification, Image Classification, Quantum Machine Learning

Quantum machine learning models that leverage quantum circuits as quantum feature maps (QFMs) are recognized for their enhanced expressive power in learning tasks. Such models have demonstrated rigorous end-to-end quantum speedups for specific families of classification problems. However, deploying deep QFMs on real quantum hardware remains challenging due to circuit noise and hardware constraints. Additionally, variational quantum algorithms often suffer from computational bottlenecks, particularly in accurate gradient estimation, which significantly increases quantum resource demands during training. We propose Iterative Quantum Feature Maps (IQFMs), a hybrid quantum-classical framework that constructs a deep architecture by iteratively connecting shallow QFMs with classically computed augmentation weights. By incorporating contrastive learning and a layer-wise training mechanism, IQFMs effectively reduces quantum runtime and mitigates noise-induced degradation. In tasks involving noisy quantum data, numerical experiments show that IQFMs outperforms quantum convolutional neural networks, without requiring the optimization of variational quantum parameters. Even for a typical classical image classification benchmark, a carefully designed IQFMs achieves performance comparable to that of classical neural networks. This framework presents a promising path to address current limitations and harness the full potential of quantum-enhanced machine learning.