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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

Classical metric and non-metric multidimensional scaling (MDS) variants are widely known manifold learning (ML) methods which enable construction of low dimensional representation (projections) of high dimensional data inputs. However,…

Data Analysis, Statistics and Probability · Physics 2014-06-16 Denis Horvath , Jozef Ulicny , Branislav Brutovsky

Dynamic Linear Models (DLMs) are commonly employed for time series analysis due to their versatile structure, simple recursive updating, ability to handle missing data, and probabilistic forecasting. However, the options for count time…

Methodology · Statistics 2023-06-30 Brian King , Daniel R. Kowal

We present a selective sampling method designed to accelerate the training of deep neural networks. To this end, we introduce a novel measurement, the minimal margin score (MMS), which measures the minimal amount of displacement an input…

Machine Learning · Computer Science 2019-11-19 Berry Weinstein , Shai Fine , Yacov Hel-Or

Differentiable simulation is a promising toolkit for fast gradient-based policy optimization and system identification. However, existing approaches to differentiable simulation have largely tackled scenarios where obtaining smooth…

Machine Learning · Statistics 2022-07-04 Rika Antonova , Jingyun Yang , Krishna Murthy Jatavallabhula , Jeannette Bohg

Neural Ordinary Differential Equations (Neural ODEs) represent continuous-time dynamics with neural networks, offering advancements for modeling and control tasks. However, training Neural ODEs requires solving differential equations at…

Machine Learning · Computer Science 2025-02-24 Mariia Shapovalova , Calvin Tsay

Datasets of real-world applications are characterized by entities of different types, which are defined by multiple features and connected via varied types of relationships. A critical challenge for these datasets is developing models and…

Social and Information Networks · Computer Science 2019-09-24 Abhishek Santra , Kanthi Sannappa Komar , Sanjukta Bhowmick , Sharma Chakravarthy

Implicit layer deep learning techniques, like Neural Differential Equations, have become an important modeling framework due to their ability to adapt to new problems automatically. Training a neural differential equation is effectively a…

Machine Learning · Computer Science 2023-06-05 Avik Pal , Alan Edelman , Chris Rackauckas

Integrating combinatorial optimization layers into neural networks has recently attracted significant research interest. However, many existing approaches lack theoretical guarantees or fail to perform adequately when relying on inexact…

Machine Learning · Computer Science 2025-09-30 Germain Vivier-Ardisson , Mathieu Blondel , Axel Parmentier

Recurrent neural networks (RNNs), temporal convolutions, and neural differential equations (NDEs) are popular families of deep learning models for time-series data, each with unique strengths and tradeoffs in modeling power and…

Machine Learning · Computer Science 2021-10-28 Albert Gu , Isys Johnson , Karan Goel , Khaled Saab , Tri Dao , Atri Rudra , Christopher Ré

Among parallel decoding paradigms, diffusion large language models (dLLMs) have emerged as a promising candidate that balances generation quality and throughput. However, their integration with Mixture-of-Experts (MoE) architectures is…

Machine Learning · Computer Science 2026-02-03 Hao Mark Chen , Zhiwen Mo , Royson Lee , Qianzhou Wang , Da Li , Shell Xu Hu , Wayne Luk , Timothy Hospedales , Hongxiang Fan

A Finite-Difference Time-Domain (FDTD) scheme with Perfectly Matched Layers (PMLs) is considered for solving the time-dependent Schr\"{o}dinger equation, and simulate the ionization of an electron initially bound to a one-dimensional…

Mesoscale and Nanoscale Physics · Physics 2020-04-02 Høgni C. Kamban , Sigurd S. Christensen , Thomas Søndergaard , Thomas G. Pedersen

Machine learning (ML) methods have shown great potential for weather downscaling. These data-driven approaches provide a more efficient alternative for producing high-resolution weather datasets and forecasts compared to physics-based…

Computational Engineering, Finance, and Science · Computer Science 2025-04-02 Saumya Sinha , Brandon Benton , Patrick Emami

An ability to generalize unconstrained conditions such as severe occlusions and large pose variations remains a challenging goal to achieve in face alignment. In this paper, a multistage model based on deep neural networks is proposed which…

Computer Vision and Pattern Recognition · Computer Science 2020-02-05 Huabin Wang , Rui Cheng , Jian Zhou , Liang Tao , Hon Keung Kwan

Multimodal Large Language Models (MLLMs) have demonstrated strong cross-modal reasoning capabilities, yet their potential for vision-only tasks remains underexplored. We investigate MLLMs as training-free similarity estimators for…

Computer Vision and Pattern Recognition · Computer Science 2026-04-16 Bahey Tharwat , Giorgos Kordopatis-Zilos , Pavel Suma , Ian Reid , Giorgos Tolias

We present a novel differentiable grid-based representation for efficiently solving differential equations (DEs). Widely used architectures for neural solvers, such as sinusoidal neural networks, are coordinate-based MLPs that are both…

Machine Learning · Computer Science 2026-01-16 Navami Kairanda , Shanthika Naik , Marc Habermann , Avinash Sharma , Christian Theobalt , Vladislav Golyanik

Dynamical systems governed by ordinary differential equations (ODEs) serve as models for a vast number of natural and social phenomena. In this work, we offer a fresh perspective on the classical problem of imputing missing time series…

Machine Learning · Computer Science 2025-03-17 Patrick Seifner , Kostadin Cvejoski , Antonia Körner , Ramsés J. Sánchez

The classical approach to non-linear regression in physics, is to take a mathematical model describing the functional dependence of the dependent variable from a set of independent variables, and then, using non-linear fitting algorithms,…

Machine Learning · Computer Science 2020-07-29 Umberto , Michelucci , Francesca Venturini

We propose a novel approach for image segmentation that combines Neural Ordinary Differential Equations (NODEs) and the Level Set method. Our approach parametrizes the evolution of an initial contour with a NODE that implicitly learns from…

Computer Vision and Pattern Recognition · Computer Science 2019-12-30 Rafael Valle , Fitsum Reda , Mohammad Shoeybi , Patrick Legresley , Andrew Tao , Bryan Catanzaro

Computational imaging has been revolutionized by compressed sensing algorithms, which offer guaranteed uniqueness, convergence, and stability properties. Model-based deep learning methods that combine imaging physics with learned…

Computer Vision and Pattern Recognition · Computer Science 2023-03-01 Aniket Pramanik , M. Bridget Zimmerman , Mathews Jacob
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