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Efficient spatial navigation is a hallmark of the mammalian brain, inspiring the development of neuromorphic systems that mimic biological principles. Despite progress, implementing key operations like back-tracing and handling ambiguity in…

Neural and Evolutionary Computing · Computer Science 2025-03-31 Robin Dietrich , Tobias Fischer , Nicolai Waniek , Nico Reeb , Michael Milford , Alois Knoll , Adam D. Hines

An algorithm is proposed to calculate traveling dissipative solitons for the FitzHugh-Nagumo equations. It is based on the application of the steepest descent method to a certain functional. This approach can be used to find solitons…

Numerical Analysis · Mathematics 2019-02-14 Yung-Sze Choi , Jeffrey M. Connors

In this paper, a sequential search method for finding the global minimum of an objective function is presented, The descent gradient search is repeated until the global minimum is obtained. The global minimum is located by a process of…

Optimization and Control · Mathematics 2024-02-06 Mohamed Tifroute , Anouar Lahmdani , Hassane Bouzahir

This paper presents an energetic derivation of a class of multi-species reaction-diffusion systems incorporating various functional responses, with a focus on and application to ecological models. Starting point is a closed reaction network…

Analysis of PDEs · Mathematics 2025-07-10 Jan-Eric Sulzbach

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These…

Chemical Physics · Physics 2019-05-24 Gregor N. Simm , Alain C. Vaucher , Markus Reiher

An Elementary Flux Mode (EFM) is a pathway with minimum set of reactions that are functional in steady-state constrained space. Due to the high computational complexity of calculating EFMs, different approaches have been proposed to find…

Molecular Networks · Quantitative Biology 2018-02-06 Mona Arabzadeh , Morteza Saheb Zamani , Mehdi Sedighi , Sayed-Amir Marashi

Sampling all possible transition paths between two 3D states of a molecular system has various applications ranging from catalyst design to drug discovery. Current approaches to sample transition paths use Markov chain Monte Carlo and rely…

Quantitative Methods · Quantitative Biology 2024-05-29 Michael Plainer , Hannes Stärk , Charlotte Bunne , Stephan Günnemann

In stochastic resonance, a periodically forced Brownian particle in a double-well potential jumps between minima at rare increments, the prediction of which poses a major theoretical challenge. Here, we use a path-integral method to find a…

Data Analysis, Statistics and Probability · Physics 2020-04-02 L. T. Giorgini , S. H. Lim , W. Moon , J. S. Wettlaufer

A variety of natural phenomena comprises a huge number of competing reactions and short-lived intermediates. Any study of such processes requires the discovery and accurate modeling of their underlying reaction network. However, this task…

Chemical Physics · Physics 2014-05-27 Paolo Elvati , Angela Violi

In recent years, deep learning has made remarkable strides, surpassing human capabilities in tasks like strategy games, and it has found applications in complex domains, including protein folding. In the realm of quantum chemistry, machine…

Chemical Physics · Physics 2024-01-09 Rhyan Barrett , Julia Westermayr

The minimum network flow algorithm is widely used in multi-target tracking. However, the majority of the present methods concentrate exclusively on minimizing cost functions whose values may not indicate accurate solutions under occlusions.…

Computer Vision and Pattern Recognition · Computer Science 2023-11-07 Huining Li , Yalong Jiang , Xianlin Zeng , Feng Li , Zhipeng Wang

Shortest path (SP) computation is the building block for many location-based services, and achieving high throughput SP query processing with real-time response is crucial for those services. However, existing solutions can hardly handle…

Databases · Computer Science 2025-02-18 Xinjie Zhou , Mengxuan Zhang , Lei Li , Xiaofang Zhou

Global optimization, particularly for non-convex functions with multiple local minima, poses significant challenges for traditional gradient-based methods. While metaheuristic approaches offer empirical effectiveness, they often lack…

Machine Learning · Computer Science 2026-05-12 Andrea Agazzi , Vittorio Carlei , Marco Romito , Samuele Saviozzi

We introduce a new numerical method to approximate the solutions of a class of stationary Hamilton-Jacobi (HJ) partial differential equations arising from minimum time optimal control problems. We rely on nested grid approximations, and…

Optimization and Control · Mathematics 2024-07-10 Marianne Akian , Stéphane Gaubert , Shanqing Liu

We present an algorithm for receding-horizon motion planning using a finite family of motion primitives for underactuated dynamic walking over uneven terrain. The motion primitives are defined as virtual holonomic constraints, and the…

Systems and Control · Computer Science 2013-10-29 Ian R. Manchester , Jack Umenberger

In this paper, we propose a data-driven method to discover multiscale chemical reactions governed by the law of mass action. First, we use a single matrix to represent the stoichiometric coefficients for both the reactants and products in a…

Chemical Physics · Physics 2021-11-24 Juntao Huang , Yizhou Zhou , Wen-An Yong

In this paper, we conduct a literature review of laws of motion based on stochastic search strategies which are mainly focused on exploring highly dynamic environments. In this regard, stochastic search strategies represent an interesting…

Monte Carlo simulations are a powerful tool to investigate the thermodynamic properties of atomic systems. In practice however, sampling of the complete configuration space is often hindered by high energy barriers between different regions…

Statistical Mechanics · Physics 2020-05-04 Jonas A. Finkler , Stefan Goedecker

This paper presents an approach to estimating a hidden process in a continuous-time setting, where the hidden process is a diffusion. The approach is simply to minimize the negative log-likelihood of the hidden path, where the likelihood is…

Methodology · Statistics 2013-01-23 L. C. G. Rogers

How do we search for the entire family tree without unwanted random guesses, starting from a high-index and high-energy stationary state on the energy landscape? Here we introduce a general numerical method that constructs the pathway map…

Computational Physics · Physics 2021-04-21 Jianyuan Yin , Yiwei Wang , Jeff Z. Y. Chen , Pingwen Zhang , Lei Zhang