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Electron transfer within and between molecules is crucial in chemistry, biochemistry, and energy science. This study describes a quantum simulation method that explores the influence of light polarization on the electron transfer between…

Multisite protein phosphorylation plays a pivotal role in regulating cellular signaling and decision-making processes. In this study, we focus on the mathematical underpinnings and informational aspects of sequential, distributive…

Molecular Networks · Quantitative Biology 2025-07-22 Iman Tavassoly , Adel Mehrpooya , Parsa Mirlohi , Zahra Abbaspourasadollah

Double phosphorylation of protein kinases is a common feature of signalling cascades. This motif may reduce cross-talk between signalling pathways, as the second phosphorylation site allows for proofreading, especially when phosphorylation…

Molecular Networks · Quantitative Biology 2015-05-26 Thomas E. Ouldridge , Pieter Rein ten Wolde

This paper is concerned with the Lyapunov spectrum for measurable cocycles over an ergodic pmp system taking values in semi-simple real Lie groups. We prove simplicity of the Lyapunov spectrum and its continuity under certain perturbations…

Dynamical Systems · Mathematics 2025-04-15 Uri Bader , Alex Furman

Binding and unbinding of ligands to specific sites of a macromolecule are one of the most elementary molecular interactions inside the cell that embody the computational processes of biological regulations. The interaction between…

Molecular Networks · Quantitative Biology 2011-11-10 Hidenori Kimura , Hiroyuki Okano , Reiko J. Tanaka

The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…

Computational Physics · Physics 2023-03-23 Sebastian Falkner , Alessandro Coretti , Christoph Dellago

We investigate dynamical many-body systems capable of universal computation, which leads to their properties being unpredictable unless the dynamics is simulated from the beginning to the end. Unpredictable behavior can be quantitatively…

Quantum Physics · Physics 2021-06-16 Javad Kazemi , Hendrik Weimer

Incorporating constraints is a major concern in probabilistic machine learning. A wide variety of problems require predictions to be integrated with reasoning about constraints, from modelling routes on maps to approving loan predictions.…

Machine Learning · Computer Science 2020-01-31 Ioannis Papantonis , Vaishak Belle

We reduce measurement errors in a quantum computer using machine learning techniques. We exploit a simple yet versatile neural network to classify multi-qubit quantum states, which is trained using experimental data. This flexible approach…

We consider a model system consisting of two reaction-diffusion equations, where one species diffuses in a volume while the other species diffuses on the surface which surrounds the volume. The two equations are coupled via a nonlinear…

Analysis of PDEs · Mathematics 2017-07-21 Tang Quoc Bao , Klemens Fellner , Evangelos Latos

A novel principle is presented which allows for the proof of bounded weak solutions to a class of physically relevant, strongly coupled parabolic systems exhibiting a formal gradient-flow structure. The main feature of these systems is that…

Analysis of PDEs · Mathematics 2015-06-11 Ansgar Jüngel

Gaining insights from realistic dynamical models of biochemical systems can be challenging given their large number of state variables. Model reduction techniques can mitigate this by decreasing complexity by mapping the model onto a…

Computational Engineering, Finance, and Science · Computer Science 2024-11-22 Alexander Leguizamon-Robayo , Antonio Jiménez-Pastor , Micro Tribastone , Max Tschaikowski , Andrea Vandin

Masked language models (MLMs) define local conditional distributions over tokens but do not, in general, correspond to any consistent joint distribution over sequences. This raises a fundamental question: what global distributional behavior…

Machine Learning · Computer Science 2026-05-19 Suvadip Sana , Sami Wolf , Neer Mehta , Alina Shah , Aitzaz Shaikh , Janna Goodman , Lionel Levine

Complex reasoning problems are most clearly and easily specified using logical rules, but require recursive rules with aggregation such as count and sum for practical applications. Unfortunately, the meaning of such rules has been a…

Databases · Computer Science 2023-08-29 Yanhong A. Liu , Scott D. Stoller

Generative compressed sensing uses the range of a pretrained generator as a nonlinear model for recovering structured signals from limited measurements. We study a conditional version of this problem for image recovery from subsampled…

Machine Learning · Computer Science 2026-05-08 Alexander DeLise , Nick Dexter

We analyse the effect of intrinsic fluctuations on the properties of bistable stochastic systems with time scale separation operating under1 quasi-steady state conditions. We first formulate a stochastic generalisation of the quasi-steady…

Biological Physics · Physics 2016-03-02 Roberto de la Cruz , Pilar Guerrero , Fabian Spill , Tomás Alarcón

Composition schemes are ubiquitous in combinatorics, statistical mechanics and probability theory. We give a unifying explanation to various phenomena observed in the combinatorial and statistical physics literature in the context…

Combinatorics · Mathematics 2024-07-22 Cyril Banderier , Markus Kuba , Stephan Wagner , Michael Wallner

Realistic description of patient-specific mechanical properties of clotting dynamics presents a major challenge. Available patient-specific data falls short of robustly characterizing myriads of complex dynamic interactions that happen…

Molecular Networks · Quantitative Biology 2017-05-23 Jayavel Arumugam , Arun Srinivasa

Entanglement is a fundamental property of quantum systems, essential for non-trivial quantum programs. Identifying when qubits become entangled is critical for circuit optimization, and for arguing for the correctness of quantum algorithms.…

Quantum Physics · Physics 2025-08-15 Aske Nord Raahauge , Martin Bom Marchioro , Rasmus Ross Nylandsted

Many integrable stochastic particle systems in one space dimension (such as TASEP - Totally Asymmetric Simple Exclusion Process - and its $q$-deformation, the $q$-TASEP) remain integrable if we equip each particle with its own speed…

Probability · Mathematics 2023-06-21 Leonid Petrov , Axel Saenz