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Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations. To address this, enhanced sampling methods have been developed to improve exploration of…

Statistical Mechanics · Physics 2023-06-19 Shams Mehdi , Zachary Smith , Lukas Herron , Ziyue Zou , Pratyush Tiwary

Many approaches in the field of machine learning and data analysis rely on the assumption that the observed data lies on lower-dimensional manifolds. This assumption has been verified empirically for many real data sets. To make use of this…

Machine Learning · Computer Science 2022-09-27 Erik Thordsen , Erich Schubert

Much hope for finding new physics phenomena at microscopic scale relies on the observations obtained from High Energy Physics experiments, like the ones performed at the Large Hadron Collider (LHC). However, current experiments do not…

In real-world applications, as data availability increases, obtaining labeled data for machine learning (ML) projects remains challenging due to the high costs and intensive efforts required for data annotation. Many ML projects,…

Machine Learning · Computer Science 2024-12-24 Ismail Hakki Karaman , Gulser Koksal , Levent Eriskin , Salih Salihoglu

The linear representation hypothesis states that language models (LMs) encode concepts as directions in their latent space, forming organized, multidimensional manifolds. Prior work has largely focused on identifying specific geometries for…

Artificial Intelligence · Computer Science 2026-04-08 Federico Tiblias , Irina Bigoulaeva , Jingcheng Niu , Simone Balloccu , Iryna Gurevych

Deep state space models (SSMs) are an actively researched model class for temporal models developed in the deep learning community which have a close connection to classic SSMs. The use of deep SSMs as a black-box identification model can…

Systems and Control · Electrical Eng. & Systems 2021-06-21 Daniel Gedon , Niklas Wahlström , Thomas B. Schön , Lennart Ljung

The search for physics beyond the Standard Model (BSM) is one of the most important goals for the general purpose detector ATLAS at the Large Hadron Collider at CERN. Supersymmetry search strategies based on generic event signatures of high…

High Energy Physics - Experiment · Physics 2019-08-13 Xuai Zhuang

The model-based library (MBL) method has already been established for the accurate measurement of critical dimension (CD) of semiconductor linewidth from a critical dimension scanning electron microscope (CD-SEM) image. In this work the MBL…

Computational Physics · Physics 2023-11-28 P. Guo , H. Miao , Y. B. Zou , S. F. Mao , Z. J. Ding

Determining the best model or models for a particular data set, a process known as Bayesian model comparison, is a critical part of probabilistic inference. Typically, this process assumes a fixed model-space (that is, a fixed set of…

Quantitative Methods · Quantitative Biology 2019-01-08 Thomas HB FitzGerald , Dorothea Hammerer , Thomas D Sambrook , Will D Penny

Despite the fundamental progress in autonomous molecular and materials discovery, data scarcity throughout chemical compound space still severely hampers the use of modern ready-made machine learning models as they rely heavily on the…

Chemical Physics · Physics 2023-11-30 Dominik Lemm , Guido Falk von Rudorff , O. Anatole von Lilienfeld

Sampling-based methods are widely adopted solutions for robot motion planning. The methods are straightforward to implement, effective in practice for many robotic systems. It is often possible to prove that they have desirable properties,…

Robotics · Computer Science 2022-11-16 Troy McMahon , Aravind Sivaramakrishnan , Edgar Granados , Kostas E. Bekris

Semi-supervised learning by self-training heavily relies on pseudo-label selection (PLS). The selection often depends on the initial model fit on labeled data. Early overfitting might thus be propagated to the final model by selecting…

Machine Learning · Statistics 2023-06-27 Julian Rodemann , Jann Goschenhofer , Emilio Dorigatti , Thomas Nagler , Thomas Augustin

As ultracold atom experiments become highly controlled and scalable quantum simulators, they require sophisticated control over high-dimensional parameter spaces and generate increasingly complex measurement data that need to be analyzed…

Quantum Gases · Physics 2025-09-11 Henning Schlömer , Annabelle Bohrdt

We present the development of an automated scanning probe microscopy (SPM) measurement system using an advanced large-scale language model (LLM). This SPM system can receive instructions via social networking services (SNS), and the…

Applied Physics · Physics 2024-05-27 Zhuo Diao , Hayato Yamashita , Masayuki Abe

The prospects of measuring masses, spin and CP properties within Supersymmetry and other beyond the Standard Model extensions at the LHC are reviewed. Emphasis is put on models with missing transverse energy due to undetected particles, as…

High Energy Physics - Experiment · Physics 2008-12-12 Wolfgang Ehrenfeld

Deep learning-based symbol detector gains increasing attention due to the simple algorithm design than the traditional model-based algorithms such as Viterbi and BCJR. The supervised learning framework is often employed to predict the input…

Machine Learning · Computer Science 2022-06-01 Moon Jeong Park , Jungseul Ok , Yo-Seb Jeon , Dongwoo Kim

The rapid advancement of observational capabilities in astronomy has led to an exponential growth in the volume of light curve (LC) data, creating both opportunities and challenges for time-domain astronomy. Traditional analytical methods…

Instrumentation and Methods for Astrophysics · Physics 2025-09-16 Almat Akhmetali , Alisher Zhunuskanov , Aknur Sakan , Marat Zaidyn , Timur Namazbayev , Dana Turlykozhayeva , Nurzhan Ussipov

This paper studies the large-scale subspace clustering (LSSC) problem with million data points. Many popular subspace clustering methods cannot directly handle the LSSC problem although they have been considered as state-of-the-art methods…

Machine Learning · Computer Science 2020-04-10 Jun Li , Hongfu Liu , Zhiqiang Tao , Handong Zhao , Yun Fu

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

The predictive capabilities of machine learning (ML) models used in materials discovery are typically measured using simple statistics such as the root-mean-square error (RMSE) or the coefficient of determination ($r^2$) between…

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