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The analysis of complex reaction networks is of great importance in several chemical and biochemical fields (interstellar chemistry, prebiotic chemistry, reaction mechanism, etc). In this article, we propose to simultaneously refine and…

Molecular Networks · Quantitative Biology 2008-03-11 Raphaël Plasson , Hugues Bersini , Axel Brandenburg

In this paper, we present a physically informed neural network representation of the effective interactions associated with coupled-cluster downfolding models to describe chemical systems and processes. The neural network representation not…

Quantum Physics · Physics 2025-01-28 Senwei Liang , Karol Kowalski , Chao Yang , Nicholas P. Bauman

Neural implicit functions have achieved impressive results for reconstructing 3D shapes from single images. However, the image features for describing 3D point samplings of implicit functions are less effective when significant variations…

Computer Vision and Pattern Recognition · Computer Science 2022-02-01 Yixin Zhuang , Yunzhe Liu , Yujie Wang , Baoquan Chen

Kernel methods are powerful machine learning techniques which implement generic non-linear functions to solve complex tasks in a simple way. They Have a solid mathematical background and exhibit excellent performance in practice. However,…

Machine Learning · Computer Science 2021-01-27 J. Emmanuel Johnson , Valero Laparra , Adrián Pérez-Suay , Miguel D. Mahecha , Gustau Camps-Valls

In the analysis of spatial point patterns on linear networks, a critical statistical objective is estimating the first-order intensity function, representing the expected number of points within specific subsets of the network. Typically,…

Methodology · Statistics 2023-09-19 Jonatan A. González , Paula Moraga

We apply a fast kernel method for mask-based single-channel speech enhancement. Specifically, our method solves a kernel regression problem associated to a non-smooth kernel function (exponential power kernel) with a highly efficient…

Machine Learning · Computer Science 2018-11-07 Like Hui , Siyuan Ma , Mikhail Belkin

The state-of-the-art CNN models give good performance on sentence classification tasks. The purpose of this work is to empirically study desirable properties such as semantic coherence, attention mechanism and reusability of CNNs in these…

Computation and Language · Computer Science 2016-10-11 Madhusudan Lakshmana , Sundararajan Sellamanickam , Shirish Shevade , Keerthi Selvaraj

In this paper we consider the mathematical relationship between nonlocal interactions of convolution type and multiple diffusive substances in high dimensions. Motivated by that the nonlocal evolution equations reproduce similar patterns to…

Analysis of PDEs · Mathematics 2025-11-07 Hiroshi Ishii , Yoshitaro Tanaka

Image reconstruction for positron emission tomography (PET) is challenging because of the ill-conditioned tomographic problem and low counting statistics. Kernel methods address this challenge by using kernel representation to incorporate…

Image and Video Processing · Electrical Eng. & Systems 2022-05-26 Siqi Li , Guobao Wang

Kernels are often developed and used as implicit mapping functions that show impressive predictive power due to their high-dimensional feature space representations. In this study, we gradually construct a series of simple feature maps that…

Machine Learning · Computer Science 2020-07-20 Gurhan Ceylan , S. Ilker Birbil

We present a comprehensive study of the commute time kernel method via the effective resistance framework analyzing the quantum complexity of the originally classical approach. Our study reveals that while there is a trade-off between…

Quantum Physics · Physics 2026-01-06 Adam Wesołowski , Karim Essafi

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an…

Molecular Networks · Quantitative Biology 2025-02-27 Anna C. M. Thöni , William E. Robinson , Yoram Bachrach , Wilhelm T. S. Huck , Tal Kachman

Real-world complex systems such as ecological communities and neuron networks are essential parts of our everyday lives. These systems are composed of units which interact through intricate networks. The ability to predict sudden changes in…

Adaptation and Self-Organizing Systems · Physics 2019-07-05 Deniz Eroglu , Matteo Tanzi , Sebastian van Strien , Tiago Pereira

In this paper, we tackle a critical issue in nonparametric inference for systems of interacting particles on Riemannian manifolds: the identifiability of the interaction functions. Specifically, we define the function spaces on which the…

Numerical Analysis · Mathematics 2024-09-11 Sui Tang , Malik Tuerkoen , Hanming Zhou

Network theory provides a principled abstraction of the human brain: reducing a complex system into a simpler representation from which to investigate brain organisation. Recent advancement in the neuroimaging field are towards representing…

Neurons and Cognition · Quantitative Biology 2016-03-23 A. W. Chung , M. D. Schirmer , M. L. Krishna , G. Ball , P. Aljabar , A. D. Edwards , G. Montana

We propose a technique to detect and generate patterns in a network of locally interacting dynamical systems. Central to our approach is a novel spatial superposition logic, whose semantics is defined over the quad-tree of a partitioned…

Artificial Intelligence · Computer Science 2014-09-22 Ebru Aydin Gol , Ezio Bartocci , Calin Belta

We propose an efficient distributed online learning protocol for low-latency real-time services. It extends a previously presented protocol to kernelized online learners that represent their models by a support vector expansion. While such…

Machine Learning · Computer Science 2019-12-02 Michael Kamp , Sebastian Bothe , Mario Boley , Michael Mock

We discuss a method of approximate model reduction for networks of biochemical reactions. This method can be applied to networks with polynomial or rational reaction rates and whose parameters are given by their orders of magnitude. In…

Molecular Networks · Quantitative Biology 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

Models of biochemical networks are usually presented as connected graphs where vertices indicate proteins and edges are drawn to indicate activation or inhibition relationships. These diagrams are useful for drawing qualitative conclusions…

Dynamical Systems · Mathematics 2023-09-29 Chathranee Jayathilaka , Robyn Araujo , Lan Nguyen , Mark Flegg

A number of machine learning tasks entail a high degree of invariance: the data distribution does not change if we act on the data with a certain group of transformations. For instance, labels of images are invariant under translations of…

Machine Learning · Statistics 2021-03-01 Song Mei , Theodor Misiakiewicz , Andrea Montanari