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We propose novel chemical reaction networks to translate levels of concentration into unique DNA strand species, which we call concentration translators. Our design of the concentration translators is based on combination of two chemical…

Molecular Networks · Quantitative Biology 2021-02-23 Toshiyuki Yamane , Eiji Nakamura , Koji Masuda

Embedding computation in molecular contexts incompatible with traditional electronics is expected to have wide ranging impact in synthetic biology, medicine, nanofabrication and other fields. A key remaining challenge lies in developing…

Neural and Evolutionary Computing · Computer Science 2020-07-01 Marko Vasic , Cameron Chalk , Sarfraz Khurshid , David Soloveichik

Recent work of M.D. Johnston et al. has produced sufficient conditions on the structure of a chemical reaction network which guarantee that the corresponding discrete state space system exhibits an extinction event. The conditions consist…

Optimization and Control · Mathematics 2017-01-11 Matthew D. Johnston

One approach to studying the system-wide organization of biochemistry is to use statistical graph theory. Even in such a heavily simplified method, which disregards most of the dynamic aspects of biochemistry, one is faced with fundamental…

Molecular Networks · Quantitative Biology 2010-08-17 Petter Holme , Mikael Huss

Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we revisit the analysis of chemical reaction networks described by mass action kinetics. For reaction networks possessing a thermodynamic…

Optimization and Control · Mathematics 2012-06-19 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

The importance of stochasticity within biological systems has been shown repeatedly during the last years and has raised the need for efficient stochastic tools. We present SABRE, a tool for stochastic analysis of biochemical reaction…

Computational Engineering, Finance, and Science · Computer Science 2010-05-18 Frederic Didier , Thomas A. Henzinger , Maria Mateescu , Verena Wolf

In this paper, we proposed two strategies which can be applied to a multilingual neural machine translation system in order to better tackle zero-shot scenarios despite not having any parallel corpus. The experiments show that they are…

Computation and Language · Computer Science 2017-11-23 Thanh-Le Ha , Jan Niehues , Alexander Waibel

Networks are fundamental building blocks for representing data, and computations. Remarkable progress in learning in structurally defined (shallow or deep) networks has recently been achieved. Here we introduce evolutionary exploratory…

Neural and Evolutionary Computing · Computer Science 2019-11-05 Rise Ooi , Chao-Han Huck Yang , Pin-Yu Chen , Vìctor Eguìluz , Narsis Kiani , Hector Zenil , David Gomez-Cabrero , Jesper Tegnèr

We consider a weak adversarial network approach to numerically solve a class of inverse problems, including electrical impedance tomography and dynamic electrical impedance tomography problems. We leverage the weak formulation of PDE in the…

Numerical Analysis · Mathematics 2020-12-02 Gang Bao , Xiaojing Ye , Yaohua Zang , Haomin Zhou

Robustness of distributed routing policies is studied for dynamical flow networks, with respect to adversarial disturbances that reduce the link flow capacities. A dynamical flow network is modeled as a system of ordinary differential…

Systems and Control · Computer Science 2012-05-30 Giacomo Como , Ketan Savla , Daron Acemoglu , Munther A. Dahleh , Emilio Frazzoli

We have generated an open-source dataset of over 30000 organic chemistry gas phase partition functions. With this data, a machine learning deep neural network estimator was trained to predict partition functions of unknown organic chemistry…

Chemical Physics · Physics 2022-03-08 Evan Komp , Stéphanie Valleau

Tensor network states provide an efficient class of states that faithfully capture strongly correlated quantum models and systems in classical statistical mechanics. While tensor networks can now be seen as becoming standard tools in the…

Quantum Physics · Physics 2022-09-27 A. Nietner , B. Vanhecke , F. Verstraete , J. Eisert , L. Vanderstraeten

Motivated by a problem in heterogeneous catalysis, we study a model for irreversible first-order reactions in which gas transport occurs only by diffusion, and reaction occurs only at a small number of well-localized sites. The main problem…

Probability · Mathematics 2015-10-06 Renato Feres , Matt Wallace

Protein translation is a multistep process which can be represented as a cascade of biochemical reactions (initiation, ribosome assembly, elongation, etc.), the rate of which can be regulated by small non-coding microRNAs through multiple…

Molecular Networks · Quantitative Biology 2010-03-09 Andrei Zinovyev , Nadya Morozova , Nora Nonne , Emmanuel Barillot , Annick Harel-Bellan , Alexander N. Gorban

Extracting relations from text corpora is an important task in text mining. It becomes particularly challenging when focusing on weakly-supervised relation extraction, that is, utilizing a few relation instances (i.e., a pair of entities…

Computation and Language · Computer Science 2017-12-27 Meng Qu , Xiang Ren , Yu Zhang , Jiawei Han

The essence of a chemical reaction lies in the redistribution and reorganization of electrons, which is often manifested through electron transfer or the migration of electron pairs. These changes are inherently discrete and abrupt in the…

Machine Learning · Computer Science 2025-07-14 Haitao Lin , Junjie Wang , Zhifeng Gao , Xiaohong Ji , Rong Zhu , Linfeng Zhang , Guolin Ke , Weinan E

Reaction networks taken with mass-action kinetics arise in many settings, from epidemiology to population biology to systems of chemical reactions. Bistable reaction networks are posited to underlie biochemical switches, which motivates the…

Dynamical Systems · Mathematics 2016-09-20 Badal Joshi , Anne Shiu

Can machine learning algorithms be implemented using chemistry? We demonstrate that this is possible in the case of support vector machines (SVMs). SVMs are powerful tools for data classification, leveraging Vapnik-Chervonenkis theory to…

Molecular Networks · Quantitative Biology 2026-04-02 Amey Choudhary , Jiaxin Jin , Abhishek Deshpande

Single node failures represent more than 85% of all node failures in the today's large communication networks such as the Internet. Also, these node failures are usually transient. Consequently, having the routing paths globally recomputed…

Data Structures and Algorithms · Computer Science 2008-10-21 Amit M Bhosle , Teofilo F Gonzalez

Computing accurate reaction rates is a central challenge in computational chemistry and biology because of the high cost of free energy estimation with unbiased molecular dynamics. In this work, a data-driven machine learning algorithm is…

Computational Physics · Physics 2020-12-08 Lixin Sun , Jonathan Vandermause , Simon Batzner , Yu Xie , David Clark , Wei Chen , Boris Kozinsky
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