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At least 343 records · Page 19

Online evolutionary neural architecture search for multivariate non-stationary time series forecasting

Time series forecasting (TSF) is one of the most important tasks in data science. TSF models are usually pre-trained with historical data and then applied on future unseen datapoints. However, real-world time series data is usually non-stationary and models trained offline usually face problems from data drift. Models trained and designed in an offline fashion can not quickly adapt to changes quickly or be deployed in real-time. To address these issues, this work presents the Online NeuroEvolution-based Neural Architecture Search (ONE-NAS) algorithm, which is a novel neural architecture search method capable of automatically designing and dynamically training recurrent neural networks (RNNs) for online forecasting tasks. Without any pre-training, ONE-NAS utilizes populations of RNNs that are continuously updated with new network structures and weights in response to new multivariate input data. ONE-NAS is tested on real-world, large-scale multivariate wind turbine data as well as the univariate Dow Jones Industrial Average (DJIA) dataset. These results demonstrate that ONE-NAS outperforms traditional statistical time series forecasting methods, including online linear regression, fixed long short-term memory (LSTM) and gated recurrent unit (GRU) models trained online, as well as state-of-the-art, online ARIMA strategies. Additionally, results show that utilizing multiple populations of RNNs which are periodically repopulated provide significant performance improvements, allowing this online neural network architecture design and training to be successful.

97 MATHEMATICS AND COMPUTING↗

Maximizing efficiency of dataset compression for machine learning potentials with information theory

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

36 MATERIALS SCIENCE↗

Comparing the DES-SN5YR and Pantheon+ SN cosmology analyses: investigation based on ‘evolving dark energy or supernovae systematics’?

Recent cosmological analyses measuring distances of type Ia supernovae (SNe Ia) and baryon acoustic oscillations (BAO) have all given similar hints at time-evolving dark energy. To examine whether underestimated SN Ia systematics might be driving these results, Efstathiou (2025) compared overlapping SN events between Pantheon+ and DES-SN5YR (20 per cent SNe are in common), and reported evidence for an $\sim$0.04 mag offset between the low- and high-redshift distance measurements of this subsample of events. If this offset is arbitrarily subtracted from the entire DES-SN5YR sample, the preference for evolving dark energy is reduced. In this paper, we show that this offset is mostly due to different corrections for Malmquist bias between the two samples; therefore, an object-to-object comparison can be misleading. Malmquist bias corrections differ between the two analyses for several reasons. First, DES-SN5YR used an improved model of SN Ia luminosity scatter compared to Pantheon+ but the associated scatter-model uncertainties are included in the error budget. Secondly, improvements in host mass estimates in DES-SN5YR also affected SN standardized magnitudes and their bias corrections. Thirdly, and most importantly, the selection functions of the two compilations are significantly different, hence the inferred Malmquist bias corrections. Even if the original scatter model and host properties from Pantheon+ are used instead, the evidence for evolving dark energy from CMB, DESI BAO Year 1 and DES-SN5YR is only reduced from 3.9$\sigma$ to 3.3$\sigma$, consistent with the error budget. Finally, in this investigation, we identify an underestimated systematic uncertainty related to host galaxy property uncertainties, which could increase the final DES-SN5YR error budget by 3 per cent. In conclusion, we confirm the validity of the published DES-SN5YR results.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluating cosmological biases using photometric redshifts for Type Ia Supernova cosmology with the Dark Energy Survey Supernova Program

Cosmological analyses with Type Ia Supernovae (SNe Ia) have traditionally been reliant on spectroscopy for both classifying the type of supernova and obtaining reliable redshifts to measure the distance–redshift relation. While obtaining a host-galaxy spectroscopic redshift for most SNe is feasible for small-area transient surveys, it will be too resource intensive for upcoming large-area surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time, which will observe on the order of millions of SNe. Here, we use data from the Dark Energy Survey (DES) to address this problem with photometric redshifts (photo-z) inferred directly from the SN light curve in combination with Gaussian and full p(z) priors from host-galaxy photo-z estimates. Using the DES 5-yr photometrically classified SN sample, we consider several photo-z algorithms as host-galaxy photo-z priors, including the Self-Organizing Map redshifts (SOMPZ), Bayesian Photometric Redshifts (BPZ), and Directional-Neighbourhood Fitting (DNF) redshift estimates employed in the DES 3 × 2 point analyses. With detailed catalogue-level simulations of the DES 5-yr sample, we find that the simulated w can be recovered within ±0.02 when using SN+SOMPZ or DNF prior photo-z, smaller than the average statistical uncertainty for these samples of 0.03. With data, we obtain biases in w consistent with simulations within ~1σ for three of the five photo-z variants. We further evaluate how photo-z systematics interplay with photometric classification and find classification introduces a subdominant systematic component. This work lays the foundation for next-generation fully photometric SNe Ia cosmological analyses.

(cosmology:) dark energy↗

Dark Energy Survey Year 6 results: cell-based coadds and METADETECTION weak lensing shape catalogue

We present the metadetection weak lensing galaxy shape catalogue from the 6-yr Dark Energy Survey (DES Y6) imaging data. This data set is the final release from DES, spanning 4422 deg 2 of the southern sky. We describe how the catalogue was constructed, including the two new major processing steps, cell-based image coaddition, and shear measurements with metadetection. The DES Y6 M etadetection weak lensing shape catalogue consists of 151 922 791 galaxies detected over riz bands, with an effective number density of n eff = 8.22 galaxies per arcmin 2 and shape noise of σ e = 0.29. We carry out a suite of validation tests on the catalogue, including testing for point spread function (PSF) leakage, testing for the impact of PSF modelling errors, and testing the correlation of the shear measurements with galaxy, PSF, and survey properties. In addition to demonstrating that our catalogue is robust for weak lensing science, we use the DES Y6 image simulation suite to estimate the overall multiplicative shear bias of our shear measurement pipeline. We find no detectable multiplicative bias at the roughly half-per cent level, with m = (3.4 ± 6.1) x 10 –3 , at 3σ uncertainty. This is the first time both cell-based coaddition and Metadetection algorithms are applied to observational data, paving the way to the Stage-IV weak lensing surveys.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Discovering Strong Gravitational Lenses in the Dark Energy Survey with Interactive Machine Learning and Crowd-sourced Inspection with Space Warps

We conduct a search for strong gravitational lenses in the Dark Energy Survey (DES) Year 6 imaging data. We implement a pre-trained Vision Transformer (ViT) for our machine learning (ML) architecture and adopt interactive machine learning to construct a training sample with multiple classes to address common types of false positives. Our ML model reduces ∼236 million DES cutout images to 22,564 targets of interest, including ∼85% of previously reported galaxy–galaxy lens candidates discovered in DES. These targets were visually inspected by citizen scientists, who ruled out ∼90% as false positives. Of the remaining 2618 candidates, 149 were expert-classified as “definite” lenses and 516 as “probable” lenses, for a total of 665 systems, with 147 of these candidates being newly identified. Additionally, we trained a second ViT to find double-source plane lens systems, finding at least one double-source system. Our main ViT excels at identifying galaxy–galaxy lenses, consistently assigning high scores to candidates with high expert assessments. The top 800 ViT-scored images include ∼100 of our “definite” lens candidates. This selection is an order of magnitude higher in purity than previous convolutional neural-network-based lens searches and demonstrates the feasibility of applying our methodology for discovering large samples of lenses in future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

The Dark Energy Survey Supernova Program: an updated measurement of the Hubble constant using the inverse distance ladder

We measure the current expansion rate of the Universe, Hubble’s constant $H_0$, by calibrating the absolute magnitudes of supernovae to distances measured by baryon acoustic oscillations (BAO). This ‘inverse distance ladder’ technique provides an alternative to calibrating supernovae using nearby absolute distance measurements, replacing the calibration with a high-redshift anchor. We use the recent release of 1829 supernovae from the Dark Energy Survey spanning $0.01\lt z\lt 1.13$ anchored to the recent baryon acoustic oscillation measurements from Dark Energy Spectroscopic Instrument (DESI) spanning $0.30 \lt z_{\mathrm{eff}}\lt 2.33$. To trace cosmology to $z=0$, we use the third-, fourth-, and fifth-order cosmographic models, which, by design, are agnostic about the energy content and expansion history of the universe. With the inclusion of the higher redshift DESI-BAO data, the third-order model is a poor fit to both data sets, with the fourth-order model being preferred by the Akaike Information Criterion. Using the fourth-order cosmographic model, we find $H_0=67.19^{+0.66}_{-0.64}\mathrm{~km} \mathrm{~s}^{-1} \mathrm{~Mpc}^{-1}$, in agreement with the value found by Planck without the need to assume Flat-$\Lambda$CDM. However, the best-fitting expansion history differs from that of Planck, providing continued motivation to investigate these tensions.

79 ASTRONOMY AND ASTROPHYSICS↗

Providing performance portable numerics for Intel GPUs

Summary With discrete Intel GPUs entering the high‐performance computing landscape, there is an urgent need for production‐ready software stacks for these platforms. In this article, we report how we enable the Ginkgo math library to execute on Intel GPUs by developing a kernel backed based on the DPC++ programming environment. We discuss conceptual differences between the CUDA and DPC++ programming models and describe workflows for simplified code conversion. We evaluate the performance of basic and advanced sparse linear algebra routines available in Ginkgo's DPC++ backend in the hardware‐specific performance bounds and compare against routines providing the same functionality that ship with Intel's oneMKL vendor library.

97 MATHEMATICS AND COMPUTING↗

Computing rank‐revealing factorizations of matrices stored out‐of‐core

This paper describes efficient algorithms for computing rank-revealing factorizations of matrices that are too large to fit in main memory (RAM), and must instead be stored on slow external memory devices such as disks (out-of-core or out-of-memory). Traditional algorithms for computing rank-revealing factorizations (such as the column pivoted QR factorization and the singular value decomposition) are very communication intensive as they require many vector-vector and matrix-vector operations, which become prohibitively expensive when data is not in RAM. Randomization allows to reformulate new methods so that large contiguous blocks of the matrix are processed in bulk. The paper describes two distinct methods. The first is a blocked version of column pivoted Householder QR, organized as a “left-looking” method to minimize the number of the expensive write operations. The second method results employs a UTV factorization. It is organized as an algorithm-by-blocks to overlap computations and I/O operations. As it incorporates power iterations, it is much better at revealing the numerical rank. Numerical experiments on several computers demonstrate that the new algorithms are almost as fast when processing data stored on slow memory devices as traditional algorithms are for data stored in RAM.

97 MATHEMATICS AND COMPUTING↗

SOMA: Observability, monitoring, and in situ analytics for exascale applications

With the rise of exascale systems and large, data-centric workflows, the need to observe and analyze high performance computing (HPC) applications during their execution is becoming increasingly important. HPC applications are typically not designed with online monitoring in mind, therefore, the observability challenge lies in being able to access and analyze interesting events with low overhead while seamlessly integrating such capabilities into existing and new applications. We explore how our service-based observation, monitoring, and analytics (SOMA) approach to collecting and aggregating both application-specific diagnostic data and performance data addresses these needs. Furthermore, we present our SOMA framework and demonstrate its viability with LULESH, a hydrodynamics proxy application. Then we focus on Astaroth, a multi-GPU library for stencil computations, highlighting the integration of the TAU and APEX performance tools and SOMA for application and performance data monitoring.

97 MATHEMATICS AND COMPUTING↗

Image Distinguishability Analysis Testing Through Principal Components and Its Application to Hot Spot Scale Invariance

Hot spots are spatial regions of intense energy localization that govern initiation of secondary high explosives. Studies that characterize or compare simulated hot spots are frequently either qualitatively descriptive or resort to quantitative distribution functions that neglect stochastic variations and spatial correlations—effects that are also neglected in common comparison tests like the Kolmogorov–Smirnov test. To this end, we develop an image distinguishability analysis (IDA) test based on principal component (PC) analysis that makes pixel-by-pixel comparisons between small, for example, O(<10), image data sets. The IDA test makes comparisons through a generalized distance metric in the PC space and a test statistic that is derived to calculate mathematical equation-values. Here, we derive a statistical distribution and criticality criterion to determine whether images are distinguishable from established baselines. We apply the IDA test on images generated from molecular dynamics simulations of hot spots from pore collapse in TATB to assess scale invariance in the complex patterns of hot spots that form in a representative high explosive crystal. The IDA test shows that TATB hot spot spatial temperature fields and their derived temperature histograms exhibit scale-invariant features over specific intervals of shock orientation, strength, and initial pore diameter. However, the IDA test also shows that qualitatively different conclusions regarding invariance can be reached depending on whether the hot spot is treated as a spatially correlated field as opposed to a distribution function that lacks spatial information.

organic↗

Language model-accelerated deep symbolic optimization

Symbolic optimization methods have been used to solve varied challenging and relevant problems such as symbolic regression and neural architecture search. However, the current state of the art typically learns each problem from scratch and is unable to leverage pre-existing knowledge and datasets that are available for many applications. Here, inspired by the similarity between sequence representations learned in natural language processing and the formulation of symbolic optimization as a discrete sequence optimization problem, we propose language model-accelerated deep symbolic optimization (LA-DSO), a method that leverages language models to learn symbolic optimization solutions more efficiently. We demonstrate LA-DSO in two tasks: symbolic regression, which allows us to perform extensive experimentation due to its low computation requirements, and computational antibody optimization, which shows that our proposal accelerates learning in challenging real-world problems.

97 MATHEMATICS AND COMPUTING↗

A direct transcription-based multiple shooting formulation for dynamic optimization

The growing need for fast and efficient solution techniques for solving dynamic optimization problems is driven by a broad spectrum of applications in scheduling and control. We suggest a novel framework for dynamic optimization that utilizes a multiple shooting “backbone” with discrete rather than continuous subproblems, thereby eliminating need for repeated time-integration. A Lagrangian relaxation (LR)-based decomposition scheme is proposed, which dualizes the state continuity requirements between subproblems and enables parallel solution of the problem. We demonstrate the applicability of our method on two case studies: the Van der Pol oscillator and a batch reactor.

42 ENGINEERING↗

Optimal sensor network design for multi-scale, time-varying differential algebraic equation systems: Application to an entrained-flow gasifier refractory brick

An algorithm for optimal sensor network design for multi-scale, time-varying differential algebraic equation systems with non-separable dynamics is presented. As the process is time-varying, an integral normalized posterior error covariance of a multi-scale filter is minimized to obtain the optimal sensor locations. For reducing the computational cost, an adaptive sampling rate approach is considered for the slowly-varying variables. The algorithm is applied to a smart refractory brick with embedded sensors as part of an entrained-flow gasifier. Thermistors and interdigital capacitors are considered as candidate measurement technologies for estimating temperature and slag penetration profile along the gasifier wall. Finally, when the optimal set of sensors obtained from the algorithm is used for estimating temperature and slag penetration profiles in a multi-scale Kalman filter framework, satisfactory estimates are obtained despite high measurement noise and model mismatch.

42 ENGINEERING↗