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Gaussian processes (GP) are widely used as a metamodel for emulating time-consuming computer codes. We focus on problems involving categorical inputs, with a potentially large number L of levels (typically several tens), partitioned in G <<…

Statistics Theory · Mathematics 2018-07-25 Olivier Roustant , Esperan Padonou , Yves Deville , Aloïs Clément , Guillaume Perrin , Jean Giorla , Henry Wynn

Complex systems have interested researchers across a broad range of fields for many years and as computing has become more accesible and feasible, it is now possible to simulate aspects of these systems. A major point of research is how…

Multiagent Systems · Computer Science 2019-01-16 George Hassan-Coring

We present an overview of the role of generating functions in quantum mechanical contexts, mainly in the modern theory of polarization and in the study of quantum phase transitions. Generating functions enable the derivation of moments and…

Quantum Physics · Physics 2026-04-21 Balázs Hetényi

Probabilistic Graphical Models are often used to understand dynamics of a system. They can model relationships between features (nodes) and the underlying distribution. Theoretically these models can represent very complex dependency…

Machine Learning · Computer Science 2023-08-21 Harsh Shrivastava , Urszula Chajewska

A model of bit-strings, that uses the technique of multi-spin coding, was previously used to study the time evolution of B-cell clone repertoire, in a paper by Lagreca, Almeida and Santos. In this work we extend that simplified model to…

Populations and Evolution · Quantitative Biology 2017-07-31 Alexandre de Castro

The metabolic processes complexity is at the heart of energy conversion in living organisms and forms a huge obstacle to develop tractable thermodynamic metabolism models. By raising our analysis to a higher level of abstraction, we develop…

Statistical Mechanics · Physics 2020-06-02 C. Goupil , H. Ouerdane , E. Herbert , Y. D'Angelo , C. Goupil

Recurrent neural networks have been widely used to generate millions of de novo molecules in a known chemical space. These deep generative models are typically setup with LSTM or GRU units and trained with canonical SMILEs. In this study,…

Machine Learning · Computer Science 2019-09-12 Ruud van Deursen , Peter Ertl , Igor V. Tetko , Guillaume Godin

This paper is devoted to the thermally activated dynamics of the capillary condensation. We present a simple model which enables us to identify the critical nucleus involved in the transition mechanism. This simple model is then applied to…

Soft Condensed Matter · Physics 2009-10-31 F. Restagno , L. Bocquet , T. Biben , E. Charlaix

Myriad experiments have identified an important role for $\rm CD8^+$ T cell response mechanisms in determining recovery from influenza A virus infection. Animal models of influenza infection further implicate multiple elements of the immune…

In chemotaxis, cells are modulating their migration patterns in response to concentration gradients of a guiding substance. Immune cells are believed to use such chemotactic sensing for remotely detecting and homing in on pathogens.…

Cell Behavior · Quantitative Biology 2019-02-28 Claus Metzner

Generating functions, which are widely used in combinatorics and probability theory, encode function values into the coefficients of a polynomial. In this paper, we explore their use as a tractable probabilistic model, and propose…

Artificial Intelligence · Computer Science 2021-06-15 Honghua Zhang , Brendan Juba , Guy Van den Broeck

We present a mathematical study for the development of Multiple Sclerosis in which a spatio-temporal kinetic { theory} model describes, at the mesoscopic level, the dynamics of a high number of interacting agents. We consider both…

Analysis of PDEs · Mathematics 2026-01-07 Romina Travaglini , João Miguel Oliveira

We present a spatial hybrid discrete-continuum modelling framework for the interaction dynamics between tumour cells and cytotoxic T cells, which play a pivotal role in the immune response against tumours. In this framework, tumour cells…

Analysis of PDEs · Mathematics 2022-10-10 Luis Almeida , Chloe Audebert , Emma Leschiera , Tommaso Lorenzi

The vertebrate immune system is a wonder of modern evolution. Occasionally, however, correlations within the immune system lead to inappropriate recruitment of preexisting T cells against novel viral diseases. We present a random energy…

Biomolecules · Quantitative Biology 2009-11-10 Jeong-Man Park , Michael W. Deem

Hematopoiesis is a complex biological process that leads to the production and regulation of blood cells. It is based upon differentiation of stem cells under the action of growth factors. A mathematical approach of this process is proposed…

Classical Analysis and ODEs · Mathematics 2009-04-17 Mostafa Adimy , Fabien Crauste , Shigui Ruan

Polymer models are a widely used tool to study the prebiotic formation of metabolism at the origins of life. Counts of the number of reactions in these models are often crucial in probabilistic arguments concerning the emergence of…

Molecular Networks · Quantitative Biology 2021-04-14 Oliver Weller-Davies , Mike Steel , Jotun Hein

We consider the problem of predicting perturbation effects via causal models. In many applications, it is a priori unknown which mechanisms of a system are modified by an external perturbation, even though the features of the perturbation…

Machine Learning · Computer Science 2025-07-02 Nora Schneider , Lars Lorch , Niki Kilbertus , Bernhard Schölkopf , Andreas Krause

The predictions of the geometric collective model (GCM) for different sets of Hamiltonian parameter values are related by analytic scaling relations. For the quartic truncated form of the GCM -- which describes harmonic oscillator, rotor,…

Nuclear Theory · Physics 2007-05-23 M. A. Caprio

The formation process, properties, and spatial distribution of galaxy groups and clusters are closely related to the background cosmological model. We use numerical simulations of variants of the CDM model with different cosmological…

Astrophysics · Physics 2007-05-23 Alexander Knebe

This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…

Materials Science · Physics 2019-04-25 Y. Mishin
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