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Quantum Computing (QC) stands to revolutionize computing, but is currently still limited. To develop and test quantum algorithms today, quantum circuits are often simulated on classical computers. Simulating a complex quantum circuit…

Quantum Physics · Physics 2022-04-21 Eli A. Meirom , Haggai Maron , Shie Mannor , Gal Chechik

This paper presents a comprehensive evaluation of the potential of Quantum Convolutional Neural Networks (QCNNs) in comparison to classical Convolutional Neural Networks (CNNs) and Artificial / Classical Neural Network (ANN) models. With…

Quantum Physics · Physics 2023-07-25 Gowri Namratha Meedinti , Kandukuri Sai Srirekha , Radhakrishnan Delhibabu

This paper presents new results about the optimization based generation of chemical reaction networks (CRNs) of higher deficiency. Firstly, it is shown that the graph structure of the realization containing the maximal number of reactions…

Molecular Networks · Quantitative Biology 2011-03-23 Gabor Szederkenyi , Katalin M. Hangos , Tamas Peni

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics.

Dynamical Systems · Mathematics 2015-03-19 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

We present here a combination of two networks, Recurrent Neural Networks (RNN) and Temporarily Convolutional Neural Networks (TCN) in de novo reaction generation using the novel Reaction Smiles-like representation of reactions (CGRSmiles)…

Machine Learning · Computer Science 2023-11-03 Andrei Buin , Hung Yi Chiang , S. Andrew Gadsden , Faraz A. Alderson

Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard…

Chemical Physics · Physics 2026-05-15 Benjamin C. Koenig , Sili Deng

An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics. The original problem…

Dynamical Systems · Mathematics 2011-07-05 Gabor Szederkenyi , Katalin M. Hangos , Zsolt Tuza

We discuss the current state of the art of Quantum Random Number Generators (QRNG) and their possible applications in the search for quantum advantages. To this aim, we first discuss a possible way of benchmarking QRNG by applying them to…

Chemical reaction networks (CRNs) are foundational models for describing complex biochemical processes. We study noncompetitive CRNs, a class of networks whose static states are rate-independent, and that can implement ReLU neural networks.…

Molecular Networks · Quantitative Biology 2025-12-22 Louis Faul , Xavier Richard , Mary Betrisey , Christian Mazza

Designed as extremely deep architectures, deep residual networks which provide a rich visual representation and offer robust convergence behaviors have recently achieved exceptional performance in numerous computer vision problems. Being…

Computer Vision and Pattern Recognition · Computer Science 2017-04-13 T. Hoang Ngan Le , Chi Nhan Duong , Ligong Han , Khoa Luu , Marios Savvides , Dipan Pal

Stochastic chemical reaction networks (CRNs) are complex systems which combine the features of concurrent transformation of multiple variables in each elementary reaction event, and nonlinear relations between states and their rates of…

Chemical Physics · Physics 2017-12-06 Eric Smith , Supriya Krishnamurthy

Recurrent Neural Networks (RNN) are known as powerful models for handling sequential data, and especially widely utilized in various natural language processing tasks. In this paper, we propose Contextual Recurrent Units (CRU) for enhancing…

Computation and Language · Computer Science 2019-11-15 Yiming Cui , Wei-Nan Zhang , Wanxiang Che , Ting Liu , Zhipeng Chen , Shijin Wang , Guoping Hu

Neural networks have continued to gain prevalence in the modern era for their ability to model complex data through pattern recognition and behavior remodeling. However, the static construction of traditional neural networks inhibits…

Quantum Physics · Physics 2025-08-14 Alejandro Antonio Mayorga , Alexander Yuan , Andrew Yuan , Tyler Wooldridge , Xiaodi Wang

Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analysed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some…

Logic in Computer Science · Computer Science 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited…

Machine Learning · Computer Science 2023-10-23 Yaorui Shi , An Zhang , Enzhi Zhang , Zhiyuan Liu , Xiang Wang

Recurrent neural networks are the foundation of many sequence-to-sequence models in machine learning, such as machine translation and speech synthesis. In contrast, applied quantum computing is in its infancy. Nevertheless there already…

Machine Learning · Computer Science 2020-10-01 Johannes Bausch

Artificial neural networks (ANNs) based machine learning models and especially deep learning models have been widely applied in computer vision, signal processing, wireless communications, and many other domains, where complex numbers occur…

Machine Learning · Statistics 2021-02-01 Joshua Bassey , Lijun Qian , Xianfang Li

We study the composability of discrete chemical reaction networks (CRNs) that stably compute (i.e., with probability 0 of error) integer-valued functions $f:\mathbb{N}^d\to\mathbb{N}$. We consider output-oblivious CRNs in which the output…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-04 Eric E. Severson , David Haley , David Doty

As the demand for lithium-ion batteries rapidly increases there is a need to design these cells in a safe manner to mitigate thermal runaway. Thermal runaway in batteries leads to an uncontrollable temperature rise and potentially fires,…

Computational Engineering, Finance, and Science · Computer Science 2024-12-02 Saakaar Bhatnagar , Andrew Comerford , Zelu Xu , Davide Berti Polato , Araz Banaeizadeh , Alessandro Ferraris

Quantum neural network (QNN) is one of the promising directions where the near-term noisy intermediate-scale quantum (NISQ) devices could find advantageous applications against classical resources. Recurrent neural networks are the most…