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The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…

Dynamical Systems · Mathematics 2025-10-01 Eliodoro Chiavazzo , C. William Gear , Carmeline J. Dsilva , Neta Rabin , Ioannis G. Kevrekidis

Despite rapid progress in live-imaging techniques, many complex biophysical and biochemical systems remain only partially observable, thus posing the challenge to identify valid theoretical models and estimate their parameters from an…

Biological Physics · Physics 2023-09-21 George Stepaniants , Alasdair D. Hastewell , Dominic J. Skinner , Jan F. Totz , Jörn Dunkel

By approximating posterior distributions with weighted samples, particle filters (PFs) provide an efficient mechanism for solving non-linear sequential state estimation problems. While the effectiveness of particle filters has been…

Machine Learning · Computer Science 2023-12-15 Xiongjie Chen , Yunpeng Li

Interacting particle systems play a key role in science and engineering. Access to the governing particle interaction law is fundamental for a complete understanding of such systems. However, the inherent system complexity keeps the…

Machine Learning · Computer Science 2022-10-25 Zhichao Han , David S. Kammer , Olga Fink

Inferring dynamical models from low-resolution temporal data continues to be a significant challenge in biophysics, especially within transcriptomics, where separating molecular programs from noise remains an important open problem. We…

Machine Learning · Computer Science 2023-10-05 Victor Chardès , Suryanarayana Maddu , Michael J. Shelley

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang

Deep neural networks have achieved state of the art accuracy at classifying molecules with respect to whether they bind to specific protein targets. A key breakthrough would occur if these models could reveal the fragment pharmacophores…

Machine Learning · Computer Science 2020-02-12 Kevin McCloskey , Ankur Taly , Federico Monti , Michael P. Brenner , Lucy Colwell

Deep dictionary learning seeks multiple dictionaries at different image scales to capture complementary coherent characteristics. We propose a method for learning a hierarchy of synthesis dictionaries with an image classification goal. The…

Computer Vision and Pattern Recognition · Computer Science 2019-09-04 Shahin Mahdizadehaghdam , Ashkan Panahi , Hamid Krim , Liyi Dai

We present a data-driven approach to characterizing nonidentifiability of a model's parameters and illustrate it through dynamic as well as steady kinetic models. By employing Diffusion Maps and their extensions, we discover the minimal…

The sparse modeling is an evident manifestation capturing the parsimony principle just described, and sparse models are widespread in statistics, physics, information sciences, neuroscience, computational mathematics, and so on. In…

Machine Learning · Computer Science 2023-08-29 Jianyi Lin

Statistical mechanics provides an effective framework to investigate information processing in biochemical reactions. Within such framework far-reaching analogies are established among (anti-) cooperative collective behaviors in chemical…

Statistical Mechanics · Physics 2021-05-26 Elena Agliari , Adriano Barra , Lorenzo Dello Schiavo , Antonio Moro

One of the roadblocks to a better understanding of neural networks' internals is \textit{polysemanticity}, where neurons appear to activate in multiple, semantically distinct contexts. Polysemanticity prevents us from identifying concise,…

Machine Learning · Computer Science 2023-10-05 Hoagy Cunningham , Aidan Ewart , Logan Riggs , Robert Huben , Lee Sharkey

Many nonequilibrium systems, such as biochemical reactions and socioeconomic interactions, can be described by reaction-diffusion equations that demonstrate a wide variety of complex spatiotemporal patterns. The diversity of the morphology…

Computational Physics · Physics 2022-02-02 Christian Scholz , Sandy Scholz

This paper presents a new Bayesian spectral unmixing algorithm to analyse remote scenes sensed via sparse multispectral Lidar measurements. To a first approximation, in the presence of a target, each Lidar waveform consists of a main peak,…

This paper introduces a Factor Augmented Sparse Throughput (FAST) model that utilizes both latent factors and sparse idiosyncratic components for nonparametric regression. The FAST model bridges factor models on one end and sparse…

Statistics Theory · Mathematics 2023-11-28 Jianqing Fan , Yihong Gu

Exploring deep convolutional neural networks of high efficiency and low memory usage is very essential for a wide variety of machine learning tasks. Most of existing approaches used to accelerate deep models by manipulating parameters or…

Computer Vision and Pattern Recognition · Computer Science 2019-07-30 Chuanjian Liu , Yunhe Wang , Kai Han , Chunjing Xu , Chang Xu

The estimation of static parameters in dynamical systems and control theory has been extensively studied, with significant progress made in estimating varying parameters in specific system types. Suppose, in the general case, we have data…

Optimization and Control · Mathematics 2025-07-10 Jamiree Harrison , Enoch Yeung

The dynamics of biological systems, from proteins to cells to organisms, is complex and stochastic. To decipher their physical laws, we need to bridge between experimental observations and theoretical modeling. Thanks to progress in…

Soft Condensed Matter · Physics 2024-06-05 Pierre Ronceray

Data analysis in science, e.g., high-energy particle physics, is often subject to an intractable likelihood if the observables and observations span a high-dimensional input space. Typically the problem is solved by reducing the…

Data Analysis, Statistics and Probability · Physics 2021-01-14 Stefan Wunsch , Simon Jörger , Roger Wolf , Günter Quast

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

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