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Metabolic pathways describe chains of enzymatic reactions. Their modelling is a key point to understand living systems. An enzymatic reaction is an interaction between one or several metabolites (substrates) and an enzyme (simple protein or…

Subcellular Processes · Quantitative Biology 2009-01-27 Charles Lales , N. Parisey , Jean-Pierre Mazat , Marie Beurton-Aimar

Diffusion models are important in tissue engineering as they enable an understanding of molecular delivery to cells in tissue constructs. As three-dimensional (3D) tissue constructs become larger, more intricate, and more clinically…

Tissues and Organs · Quantitative Biology 2015-12-22 Richard J. McMurtrey

Parametric 3D models have formed a fundamental role in modeling deformable objects, such as human bodies, faces, and hands; however, the construction of such parametric models requires significant manual intervention and domain expertise.…

Computer Vision and Pattern Recognition · Computer Science 2022-01-21 Pablo Palafox , Nikolaos Sarafianos , Tony Tung , Angela Dai

This paper presents SMART-3D, an extension of the SMART algorithm to 3D environments. SMART-3D is a tree-based adaptive replanning algorithm for dynamic environments with fast moving obstacles. SMART-3D morphs the underlying tree to find a…

Robotics · Computer Science 2025-09-23 Priyanshu Agrawal , Shalabh Gupta , Zongyuan Shen

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize…

Machine Learning · Computer Science 2021-12-10 Gabriel S. Gusmão , Adhika P. Retnanto , Shashwati C. da Cunha , Andrew J. Medford

We present a novel finite element analysis of inelastic structures containing Shape Memory Alloys (SMAs). Phenomenological constitutive models for SMAs lead to material nonlinearities, that require substantial computational effort to…

Computational Engineering, Finance, and Science · Computer Science 2022-01-05 Ziliang Kang , Daniel A. Tortorelli , Kai A. James

We propose a new method for spatio-temporal forecasting on arbitrarily distributed points. Assuming that the observed system follows an unknown partial differential equation, we derive a continuous-time model for the dynamics of the data…

Machine Learning · Computer Science 2022-03-18 Marten Lienen , Stephan Günnemann

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

Cellular identity and function are linked to both their intrinsic genomic makeup and extrinsic spatial context within the tissue microenvironment. Spatial transcriptomics (ST) offers an unprecedented opportunity to study this, providing in…

Machine Learning · Computer Science 2026-02-16 Rui Yan , Xiaohan Xing , Xun Wang , Zixia Zhou , Md Tauhidul Islam , Lei Xing

Numerical approximations of partial differential equations (PDEs) are routinely employed to formulate the solution of physics, engineering, and mathematical problems involving functions of several variables, such as the propagation of heat…

One of the major challenges in biology concerns the integration of data across length and time scales into a consistent framework: how do macroscopic properties and functionalities arise from the molecular regulatory networks - and how can…

Computational Engineering, Finance, and Science · Computer Science 2015-10-20 Dagmar Iber , Zahra Karimaddini , Erkan Ünal

Genomics methods have uncovered patterns in a range of biological systems, but obscure important aspects of cell behavior: the shape, relative locations of, movement of, and interactions between cells in space. Spatial technologies that…

Applications · Statistics 2023-10-17 Siddhartha G Jena , Archit Verma , Barbara E Engelhardt

Robotic and animal mapping systems share many challenges and characteristics: they must function in a wide variety of environmental conditions, enable the robot or animal to navigate effectively to find food or shelter, and be…

Robotics · Computer Science 2017-12-25 Litao Yu , Adam Jacobson , Michael Milford

Simulation of stochastic spatially-extended systems is a challenging problem. The fundamental quantities in these models are individual entities such as molecules, cells, or animals, which move and react in a random manner. In big systems,…

Quantitative Methods · Quantitative Biology 2024-09-24 Tomás Alarcón , Natalia Briñas-Pascual , Juan Calvo , Pilar Guerrero , Daria Stepanova

Knowing a biomolecule's structure is inherently linked to and a prerequisite for any detailed understanding of its function. Significant effort has gone into developing technologies for structural characterization. These technologies do not…

Data Structures and Algorithms · Computer Science 2017-06-22 Michael Wegner , Oskar Taubert , Alexander Schug , Henning Meyerhenke

We present an elastic simulator for domains defined as evolving implicit functions, which is efficient, robust, and differentiable with respect to both shape and material. This simulator is motivated by applications in 3D reconstruction: it…

Graphics · Computer Science 2025-04-09 Gilles Daviet , Tianchang Shen , Nicholas Sharp , David I. W. Levin

The paper presents an algorithm, called Self-Morphing Adaptive Replanning Tree (SMART), that facilitates fast replanning in dynamic environments. SMART performs risk based tree-pruning if the current path is obstructed by nearby moving…

Robotics · Computer Science 2023-09-22 Zongyuan Shen , James P. Wilson , Shalabh Gupta , Ryan Harvey

The motivation of this work is to produce an integrated formulation for material response due to detonation wave loading. Here, we focus on elastoplastic structural response. In particular, we are interested to capture miscible and…

Computational Physics · Physics 2021-11-03 Maria Nikodemou , Louisa Michael , Nikolaos Nikiforakis

Sparse autoencoders (SAEs) have become a central tool for interpreting language models. However, two key SAE analyses that remain difficult to scale are (1) matching semantically similar features across multi-layers and (2) compressing…

Machine Learning · Computer Science 2026-05-28 Tue M. Cao , Nguyen Do , My T. Thai

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

Quantitative Methods · Quantitative Biology 2015-10-05 Christian A. Yates , Mark B. Flegg