pwc-archive/papers-with-abstracts huggingface dataset:
Initial Conditions from Galaxies: Machine-Learning Subgrid Correction to Standard Reconstruction
Authors: Liam Parker, Adrian E. Bayer, Uros Seljak
Date: 2025-04-01 00:00:00

We present a hybrid method for reconstructing the primordial density from late-time halos and galaxies. Our approach involves two steps: (1) apply standard Baryon Acoustic Oscillation (BAO) reconstruction to recover the large-scale features in the primordial density field and (2) train a deep learning model to learn small-scale corrections on partitioned subgrids of the full volume. At inference, this correction is then convolved across the full survey volume, enabling scaling to large survey volumes. We train our method on both mock halo catalogs and mock galaxy catalogs in both configuration and redshift space from the Quijote $1(h^{-1}\,\mathrm{Gpc})^3$ simulation suite. When evaluated on held-out simulations, our combined approach significantly improves the reconstruction cross-correlation coefficient with the true initial density field and remains robust to moderate model misspecification. Additionally, we show that models trained on $1(h^{-1}\,\mathrm{Gpc})^3$ can be applied to larger boxes--e.g., $(3h^{-1}\,\mathrm{Gpc})^3$--without retraining. Finally, we perform a Fisher analysis on our method's recovery of the BAO peak, and find that it significantly improves the error on the acoustic scale relative to standard BAO reconstruction. Ultimately, this method robustly captures nonlinearities and bias without sacrificing large-scale accuracy, and its flexibility to handle arbitrarily large volumes without escalating computational requirements makes it especially promising for large-volume surveys like DESI.
Autonomous optical navigation for DESTINY+: Enhancing misalignment robustness in flyby observations with a rotating telescope
Authors: Takayuki Hosonuma, Takeshi Miyabara, Naoya Ozaki, Ko Ishibashi, Yuta Suzaki, Peng Hong, Masayuki Ohta, Takeshi Takashima
Date: 2025-04-02 00:00:00

DESTINY+ is an upcoming JAXA Epsilon medium-class mission to flyby multiple asteroids including Phaethon. As an asteroid flyby observation instrument, a telescope mechanically capable of single-axis rotation, named TCAP, is mounted on the spacecraft to track and observe the target asteroids during flyby. As in past flyby missions utilizing rotating telescopes, TCAP is also used as a navigation camera for autonomous optical navigation during the closest-approach phase. To mitigate the degradation of the navigation accuracy, past missions performed calibration of the navigation camera's alignment before starting optical navigation. However, such calibration requires significant operational time to complete and imposes constraints on the operation sequence. From the above background, the DESTINY+ team has studied the possibility of reducing operational costs by allowing TCAP alignment errors to remain. This paper describes an autonomous optical navigation algorithm robust to the misalignment of rotating telescopes, proposed in this context. In the proposed method, the misalignment of the telescope is estimated simultaneously with the spacecraft's orbit relative to the flyby target. To deal with the nonlinearity between the misalignment and the observation value, the proposed method utilizes the unscented Kalman filter, instead of the extended Kalman filter widely used in past studies. The proposed method was evaluated with numerical simulations on a PC and with hardware-in-the-loop simulation, taking the Phaethon flyby in the DESTINY+ mission as an example. The validation results suggest that the proposed method can mitigate the misalignment-induced degradation of the optical navigation accuracy with reasonable computational costs suited for onboard computers.
Science Autonomy using Machine Learning for Astrobiology
Authors: Victoria Da Poian, Bethany Theiling, Eric Lyness, David Burtt, Abigail R. Azari, Joey Pasterski, Luoth Chou, Melissa Trainer, Ryan Danell, Desmond Kaplan, Xiang Li, Lily Clough, Brett McKinney, Lukas Mandrake, Bill Diamond, Caroline Freissinet
Date: 2025-04-01 00:00:00

In recent decades, artificial intelligence (AI) including machine learning (ML) have become vital for space missions enabling rapid data processing, advanced pattern recognition, and enhanced insight extraction. These tools are especially valuable in astrobiology applications, where models must distinguish biotic patterns from complex abiotic backgrounds. Advancing the integration of autonomy through AI and ML into space missions is a complex challenge, and we believe that by focusing on key areas, we can make significant progress and offer practical recommendations for tackling these obstacles.
General Framework for Array Noise Analysis and Noise Performance of a Two-Element Interferometer With a Mutual-Coupling Canceler
Authors: Leonid Belostotski, Adrian T. Sutinjo, Ravi Subrahmanyan, Soumyajit Mandal, Arjuna Madanayake
Date: 2025-04-01 00:00:00

This article investigates the noise performance of a two-element phased array and interferometer containing a recently introduced self-interference canceler, which in the context of this work acts as a mutual-coupling canceler. To this end, a general framework is proposed to permit noise analysis of this network and a large variety of other networks. The framework-based numerical analysis for a two-element-phased array shows that the addition of the canceler significantly increases the beam-equivalent noise temperature. For a two-element interferometer used in cosmology, this increase in noise temperature is still acceptable as the sky noise temperature in the 20-to-200 MHz band is high. When used in an interferometer, the canceler provides the ability to null mutual coherence at the interferometer output. The ability to provide matching to reduce the sensitivity of the null in mutual coherence to the phase of the 90deg hybrids in the canceler is discussed.
Using machine learning method for variable star classification using the TESS Sectors 1-57 data
Authors: Li-Heng Wang, Kai Li, Xiang Gao, Ya-Ni Guo, Guo-You Sun
Date: 2025-04-01 00:00:00
Tasks: Classification Of Variable Stars, Survey

The Transiting Exoplanet Survey Satellite (TESS) is a wide-field all-sky survey mission designed to detect Earth-sized exoplanets. After over four years photometric surveys, data from sectors 1-57, including approximately 1,050,000 light curves with a 2-minute cadence, were collected. By cross-matching the data with Gaia's variable star catalogue, we obtained labeled datasets for further analysis. Using a random forest classifier, we performed classification of variable stars and designed distinct classification processes for each subclass, 6770 EA, 2971 EW, 980 CEP, 8347 DSCT, 457 RRab, 404 RRc and 12348 ROT were identified. Each variable star was visually inspected to ensure the reliability and accuracy of the compiled catalog. Subsequently, we ultimately obtained 6046 EA, 3859 EW, 2058 CEP, 8434 DSCT, 482 RRab, 416 RRc, and 9694 ROT, and a total of 14092 new variable stars were discovered.
Spectral Architecture Search for Neural Networks
Authors: Gianluca Peri, Lorenzo Giambagli, Lorenzo Chicchi, Duccio Fanelli
Date: 2025-04-01 00:00:00

Architecture design and optimization are challenging problems in the field of artificial neural networks. Working in this context, we here present SPARCS (SPectral ARchiteCture Search), a novel architecture search protocol which exploits the spectral attributes of the inter-layer transfer matrices. SPARCS allows one to explore the space of possible architectures by spanning continuous and differentiable manifolds, thus enabling for gradient-based optimization algorithms to be eventually employed. With reference to simple benchmark models, we show that the newly proposed method yields a self-emerging architecture with a minimal degree of expressivity to handle the task under investigation and with a reduced parameter count as compared to other viable alternatives.
From Chaos to Coherence: Effects of High-Order Synaptic Correlations on Neural Dynamics
Authors: Nimrod Sherf, Xaq Pitkow, Krešimir Josić, Kevin E. Bassler
Date: 2025-04-01 00:00:00

Recurrent Neural Network models have elucidated the interplay between structure and dynamics in biological neural networks, particularly the emergence of irregular and rhythmic activities in cortex. However, most studies have focused on networks with random or simple connectivity structures. Experimental observations find that high-order cortical connectivity patterns affect the temporal patterns of network activity, but a theory that relates such complex structure to network dynamics has yet to be developed. Here, we show that third- and higher-order cyclic correlations in synaptic connectivities greatly impact neuronal dynamics. Specifically, strong cyclic correlations in a network suppress chaotic dynamics, and promote oscillatory or fixed activity. The change in dynamics is related to the form of the unstable eigenvalues of the random connectivity matrix. A phase transition from chaotic to fixed or oscillatory activity coincides with the development of a cusp at the leading edge of the eigenvalue support. We also relate the dimensions of activity to the network structure.
A machine learning platform for development of low flammability polymers
Authors: Duy Nhat Phan, Alexander B. Morgan, Lokendra Poudel, Rahul Bhowmik
Date: 2025-03-31 00:00:00

Flammability index (FI) and cone calorimetry outcomes, such as maximum heat release rate, time to ignition, total smoke release, and fire growth rate, are critical factors in evaluating the fire safety of polymers. However, predicting these properties is challenging due to the complexity of material behavior under heat exposure. In this work, we investigate the use of machine learning (ML) techniques to predict these flammability metrics. We generated synthetic polymers using Synthetic Data Vault to augment the experimental dataset. Our comprehensive ML investigation employed both our polymer descriptors and those generated by the RDkit library. Despite the challenges of limited experimental data, our models demonstrate the potential to accurately predict FI and cone calorimetry outcomes, which could be instrumental in designing safer polymers. Additionally, we developed POLYCOMPRED, a module integrated into the cloud-based MatVerse platform, providing an accessible, web-based interface for flammability prediction. This work provides not only the predictive modeling of polymer flammability but also an interactive analysis tool for the discovery and design of new materials with tailored fire-resistant properties.
What is AI, what is it not, how we use it in physics and how it impacts... you
Authors: Claire David
Date: 2025-04-02 00:00:00
Tasks: Anomaly Detection, Misconceptions

Artificial Intelligence (AI) and Machine Learning (ML) have been prevalent in particle physics for over three decades, shaping many aspects of High Energy Physics (HEP) analyses. As AI's influence grows, it is essential for physicists $\unicode{x2013}$ as both researchers and informed citizens $\unicode{x2013}$ to critically examine its foundations, misconceptions, and impact. This paper explores AI definitions, examines how ML differs from traditional programming, and provides a brief review of AI/ML applications in HEP, highlighting promising trends such as Simulation-Based Inference, uncertainty-aware machine learning, and Fast ML for anomaly detection. Beyond physics, it also addresses the broader societal harms of AI systems, underscoring the need for responsible engagement. Finally, it stresses the importance of adapting research practices to an evolving AI landscape, ensuring that physicists not only benefit from the latest tools but also remain at the forefront of innovation.
Diffusion-model approach to flavor models: A case study for $S_4^\prime$ modular flavor model
Authors: Satsuki Nishimura, Hajime Otsuka, Haruki Uchiyama
Date: 2025-04-01 00:00:00
Tasks: model

We propose a numerical method of searching for parameters with experimental constraints in generic flavor models by utilizing diffusion models, which are classified as a type of generative artificial intelligence (generative AI). As a specific example, we consider the $S_4^\prime$ modular flavor model and construct a neural network that reproduces quark masses, the CKM matrix, and the Jarlskog invariant by treating free parameters in the flavor model as generating targets. By generating new parameters with the trained network, we find various phenomenologically interesting parameter regions where an analytical evaluation of the $S_4^\prime$ model is challenging. Additionally, we confirm that the spontaneous CP violation occurs in the $S_4^\prime$ model. The diffusion model enables an inverse problem approach, allowing the machine to provide a series of plausible model parameters from given experimental data. Moreover, it can serve as a versatile analytical tool for extracting new physical predictions from flavor models.
Incorporating Coupling Knowledge into Echo State Networks for Learning Spatiotemporally Chaotic Dynamics
Authors: Kuei-Jan Chu, Nozomi Akashi, Akihiro Yamamoto
Date: 2025-04-02 00:00:00
Tasks: Inductive Bias

Machine learning methods have shown promise in learning chaotic dynamical systems, enabling model-free short-term prediction and attractor reconstruction. However, when applied to large-scale, spatiotemporally chaotic systems, purely data-driven machine learning methods often suffer from inefficiencies, as they require a large learning model size and a massive amount of training data to achieve acceptable performance. To address this challenge, we incorporate the spatial coupling structure of the target system as an inductive bias in the network design. Specifically, we introduce physics-guided clustered echo state networks, leveraging the efficiency of the echo state networks as a base model. Experimental results on benchmark chaotic systems demonstrate that our physics-informed method outperforms existing echo state network models in learning the target chaotic systems. Additionally, our models exhibit robustness to noise in training data and remain effective even when prior coupling knowledge is imperfect. This approach has the potential to enhance other machine learning methods.
Diffusion models for probabilistic precipitation generation from atmospheric variables
Authors: Michael Aich, Sebastian Bathiany, Philipp Hess, Yu Huang, Niklas Boers
Date: 2025-04-01 00:00:00

Improving the representation of precipitation in Earth system models (ESMs) is critical for assessing the impacts of climate change and especially of extreme events like floods and droughts. In existing ESMs, precipitation is not resolved explicitly, but represented by parameterizations. These typically rely on resolving approximated but computationally expensive column-based physics, not accounting for interactions between locations. They struggle to capture fine-scale precipitation processes and introduce significant biases. We present a novel approach, based on generative machine learning, which integrates a conditional diffusion model with a UNet architecture to generate accurate, high-resolution (0.25{\deg}) global daily precipitation fields from a small set of prognostic atmospheric variables. Unlike traditional parameterizations, our framework efficiently produces ensemble predictions, capturing uncertainties in precipitation, and does not require fine-tuning by hand. We train our model on the ERA5 reanalysis and present a method that allows us to apply it to arbitrary ESM data, enabling fast generation of probabilistic forecasts and climate scenarios. By leveraging interactions between global prognostic variables, our approach provides an alternative parameterization scheme that mitigates biases present in the ESM precipitation while maintaining consistency with its large-scale (annual) trends. This work demonstrates that complex precipitation patterns can be learned directly from large-scale atmospheric variables, offering a computationally efficient alternative to conventional schemes.
Improving Predictions of Convective Storm Wind Gusts through Statistical Post-Processing of Neural Weather Models
Authors: Antoine Leclerc, Erwan Koch, Monika Feldmann, Daniele Nerini, Tom Beucler
Date: 2025-03-31 00:00:00

Issuing timely severe weather warnings helps mitigate potentially disastrous consequences. Recent advancements in Neural Weather Models (NWMs) offer a computationally inexpensive and fast approach for forecasting atmospheric environments on a 0.25{\deg} global grid. For thunderstorms, these environments can be empirically post-processed to predict wind gust distributions at specific locations. With the Pangu-Weather NWM, we apply a hierarchy of statistical and deep learning post-processing methods to forecast hourly wind gusts up to three days ahead. To ensure statistical robustness, we constrain our probabilistic forecasts using generalised extreme-value distributions across five regions in Switzerland. Using a convolutional neural network to post-process the predicted atmospheric environment's spatial patterns yields the best results, outperforming direct forecasting approaches across lead times and wind gust speeds. Our results confirm the added value of NWMs for extreme wind forecasting, especially for designing more responsive early-warning systems.
Integrating experimental feedback improves generative models for biological sequences
Authors: Francesco Calvanese, Giovanni Peinetti, Polina Pavlinova, Philippe Nghe, Martin Weigt
Date: 2025-04-02 00:00:00

Generative probabilistic models have shown promise in designing artificial RNA and protein sequences but often suffer from high rates of false positives, where sequences predicted as functional fail experimental validation. To address this critical limitation, we explore the impact of reintegrating experimental feedback into the model design process. We propose a likelihood-based reintegration scheme, which we test through extensive computational experiments on both RNA and protein datasets, as well as through wet-lab experiments on the self-splicing ribozyme from the group I intron RNA family where our approach demonstrates particular efficacy. We show that integrating recent experimental data enhances the model's capacity of generating functional sequences (e.g. from 6.7\% to 63.7\% of active designs at 45 mutations). This feedback-driven approach thus provides a significant improvement in the design of biomolecular sequences by directly tackling the false-positive challenge.
Bioelectrical Interfaces Beyond Cellular Excitability: Cancer, Aging, and Gene Expression Reprogramming
Authors: Paolo Cadinu, Matthew Burgess, Catarina Franco Jones, Titouan Luciani, Marzia Iarossi, Manuel Schröter, Nako Nakatsuka, Mustafa B. A. Djamgoz, Gil Gonçalves, Paola Sanjuán-Alberte, Paula M. Mendes, Frankie J. Rawson, Malavika Nair, Michael Levin, Rosalia Moreddu
Date: 2025-04-01 00:00:00
Tasks: Translation

Bioelectrical interfaces represent a significant evolution in the intersection of nanotechnology and biophysics, offering new strategies for probing and influencing cellular processes. These systems capitalize on the subtle but powerful electric fields within living matter, potentially enabling applications beyond cellular excitability, ranging from targeted cancer therapies to interventions in genetic mechanisms and aging. This perspective article envisions the translation, development and application of next-generation solid-state bioelectrical interfaces and their transformative impact across several critical areas of medical research.
De Novo Molecular Design Enabled by Direct Preference Optimization and Curriculum Learning
Authors: Junyu Hou
Date: 2025-04-02 00:00:00
Tasks: Drug Discovery, Reinforcement Learning (RL)

De novo molecular design has extensive applications in drug discovery and materials science. The vast chemical space renders direct molecular searches computationally prohibitive, while traditional experimental screening is both time- and labor-intensive. Efficient molecular generation and screening methods are therefore essential for accelerating drug discovery and reducing costs. Although reinforcement learning (RL) has been applied to optimize molecular properties via reward mechanisms, its practical utility is limited by issues in training efficiency, convergence, and stability. To address these challenges, we adopt Direct Preference Optimization (DPO) from NLP, which uses molecular score-based sample pairs to maximize the likelihood difference between high- and low-quality molecules, effectively guiding the model toward better compounds. Moreover, integrating curriculum learning further boosts training efficiency and accelerates convergence. A systematic evaluation of the proposed method on the GuacaMol Benchmark yielded excellent scores. For instance, the method achieved a score of 0.883 on the Perindopril MPO task, representing a 6\% improvement over competing models. And subsequent target protein binding experiments confirmed its practical efficacy. These results demonstrate the strong potential of DPO for molecular design tasks and highlight its effectiveness as a robust and efficient solution for data-driven drug discovery.
Plane-Wave Decomposition and Randomised Training; a Novel Path to Generalised PINNs for SHM
Authors: Rory Clements, James Ellis, Geoff Hassall, Simon Horsley, Gavin Tabor
Date: 2025-03-31 00:00:00

In this paper, we introduce a formulation of Physics-Informed Neural Networks (PINNs), based on learning the form of the Fourier decomposition, and a training methodology based on a spread of randomly chosen boundary conditions. By training in this way we produce a PINN that generalises; after training it can be used to correctly predict the solution for an arbitrary set of boundary conditions and interpolate this solution between the samples that spanned the training domain. We demonstrate for a toy system of two coupled oscillators that this gives the PINN formulation genuine predictive capability owing to an effective reduction of the training to evaluation times ratio due to this decoupling of the solution from specific boundary conditions.
Density estimation via mixture discrepancy and moments
Authors: Zhengyang Lei, Sihong Shao
Date: 2025-04-02 00:00:00
Tasks: Density Estimation

With the aim of generalizing histogram statistics to higher dimensional cases, density estimation via discrepancy based sequential partition (DSP) has been proposed [D. Li, K. Yang, W. Wong, Advances in Neural Information Processing Systems (2016) 1099-1107] to learn an adaptive piecewise constant approximation defined on a binary sequential partition of the underlying domain, where the star discrepancy is adopted to measure the uniformity of particle distribution. However, the calculation of the star discrepancy is NP-hard and it does not satisfy the reflection invariance and rotation invariance either. To this end, we use the mixture discrepancy and the comparison of moments as a replacement of the star discrepancy, leading to the density estimation via mixture discrepancy based sequential partition (DSP-mix) and density estimation via moments based sequential partition (MSP), respectively. Both DSP-mix and MSP are computationally tractable and exhibit the reflection and rotation invariance. Numerical experiments in reconstructing the $d$-D mixture of Gaussians and Betas with $d=2, 3, \dots, 6$ demonstrate that DSP-mix and MSP both run approximately ten times faster than DSP while maintaining the same accuracy.