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Electronic Health Records (EHRs) exhibit a high amount of missing data due to variations of patient conditions and treatment needs. Imputation of missing values has been considered an effective approach to deal with this challenge. Existing…

Machine Learning · Computer Science 2022-10-25 Yuxi Liu , Shaowen Qin , Zhenhao Zhang , Wei Shao

This paper develops the concept of decomposition for chemical reaction networks, based on which a network decomposition technique is proposed to capture the stability of large-scale networks characterized by a high number of species, high…

Dynamical Systems · Mathematics 2021-02-23 Yafei Lu , Chuanhou Gao , Denis Dochain

In chemical reaction networks (CRNs) with stochastic semantics based on continuous-time Markov chains (CTMCs), the typically large populations of species cause combinatorially large state spaces. This makes the analysis very difficult in…

Logic in Computer Science · Computer Science 2017-07-10 Luca Cardelli , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Stochastic configuration networks (SCNs), as a class of randomized learner models, are featured by its way of random parameters assignment in the light of a supervisory mechanism, resulting in the universal approximation property at…

Machine Learning · Computer Science 2024-12-17 Yongxuan Chen , Dianhui Wang

This paper underscores the conjecture that intrinsic computation is maximal in systems at the "edge of chaos." We study the relationship between dynamics and computational capability in Random Boolean Networks (RBN) for Reservoir Computing…

Adaptation and Self-Organizing Systems · Physics 2013-04-23 David Snyder , Alireza Goudarzi , Christof Teuscher

Many scientific and engineering systems exhibit intrinsically multimodal behavior arising from latent regime switching and non-unique physical mechanisms. In such settings, learning the full conditional distribution of admissible outcomes…

Machine Learning · Computer Science 2026-02-12 Jinkyo Han , Bahador Bahmani

Reaction networks (RNs) comprise a set $X$ of species and a set $\mathscr{R}$ of reactions $Y\to Y'$, each converting a multiset of educts $Y\subseteq X$ into a multiset $Y'\subseteq X$ of products. RNs are equivalent to directed…

Molecular Networks · Quantitative Biology 2022-01-06 Stefan Müller , Christoph Flamm , Peter F. Stadler

This paper introduces a methodology for identifying and simulating financial and economic systems using stochastically structured reservoir computers (SSRCs). The framework combines structure-preserving embeddings with graph-informed…

Optimization and Control · Mathematics 2025-11-20 Lendy Banegas , Fredy Vides

Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advances in network architectures, the evaluation of electronic…

Chemical Physics · Physics 2026-02-16 Marco Julian Solanki , Lexin Ding , Markus Reiher

Reservoir computing (RC) represents a class of state-space models (SSMs) characterized by a fixed state transition mechanism (the reservoir) and a flexible readout layer that maps from the state space. It is a paradigm of computational…

Machine Learning · Computer Science 2025-04-17 Pradeep Singh , Ashutosh Kumar , Sutirtha Ghosh , Hrishit B P , Balasubramanian Raman

Computational efficiency and robustness are essential in process modeling, optimization, and control for real-world engineering applications. While neural network-based approaches have gained significant attention in recent years,…

Machine Learning · Computer Science 2026-03-17 Zihao Wang , Yuhan Li , Yao Shi , Zhe Wu

It is widely accepted that the complex dynamics characteristic of recurrent neural circuits contributes in a fundamental manner to brain function. Progress has been slow in understanding and exploiting the computational power of recurrent…

Chaotic Dynamics · Physics 2013-07-18 Rodrigo Laje , Dean V. Buonomano

Continuous-time Bayesian Networks (CTBNs) represent a compact yet powerful framework for understanding multivariate time-series data. Given complete data, parameters and structure can be estimated efficiently in closed-form. However, if…

Machine Learning · Statistics 2019-11-04 Dominik Linzner , Michael Schmidt , Heinz Koeppl

A novel approach to simulate simple protein-ligand systems at large time- and length-scales is to couple Markov state models (MSMs) of molecular kinetics with particle-based reaction-diffusion (RD) simulations, MSM/RD. Currently, MSM/RD…

Chemical Physics · Physics 2021-12-10 Mauricio J. del Razo , Manuel Dibak , Christof Schütte , Frank Noé

Prediction of one-dimensional protein structures such as secondary structures and contact numbers is useful for the three-dimensional structure prediction and important for the understanding of sequence-structure relationship. Here we…

Biomolecules · Quantitative Biology 2007-05-23 Akira R. Kinjo , Ken Nishikawa

Social norms are stable behavioral patterns that emerge endogenously within economic systems through repeated interactions among agents. In online market economies, such norms -- like fair exposure, sustained participation, and balanced…

Machine Learning · Computer Science 2026-03-06 Xiangning Yu , Qirui Mi , Xiao Xue , Haoxuan Li , Yiwei Shi , Xiaowei Liu , Mengyue Yang

Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and…

Machine Learning · Computer Science 2020-01-22 Shikhar Vashishth , Soumya Sanyal , Vikram Nitin , Partha Talukdar

The study of the dynamics of chemical reactions, and in particular phenomena such as oscillating reactions, has led to the recognition that many dynamical properties of a chemical reaction can be predicted from graph theoretical properties…

Dynamical Systems · Mathematics 2022-11-08 J. J. P. Veerman , Tessa Whalen-Wagner , Ewan Kummel

The Reservoir Computing (RC) framework states that any non-linear, input-driven dynamical system (the reservoir) exhibiting properties such as a fading memory and input separability can be trained to perform computational tasks. This broad…

Emerging Technologies · Computer Science 2019-06-20 Matthew Dale , Julian F. Miller , Susan Stepney , Martin A. Trefzer

Biochemical networks are used in computational biology, to model the static and dynamical details of systems involved in cell signaling, metabolism, and regulation of gene expression. Parametric and structural uncertainty, as well as…

Molecular Networks · Quantitative Biology 2014-10-15 Ovidiu Radulescu , Alexander N. Gorban , Andrei Zinovyev , Vincent Noel
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