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The motor part of a crawling eukaryotic cell can be represented schematically as an active continuum layer. The main active processes in this layer are protrusion, originating from non-equilibrium polymerization of actin fibers,…

Biological Physics · Physics 2015-01-29 Pierre Recho , Lev Truskinovsky

We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temperature response to variation of general system parameters.…

Computational Physics · Physics 2024-05-31 Blake R. Duschatko , Xiang Fu , Cameron Owen , Yu Xie , Albert Musaelian , Tommi Jaakkola , Boris Kozinsky

In high-dimensional prediction settings, it remains challenging to reliably estimate the test performance. To address this challenge, a novel performance estimation framework is presented. This framework, called Learn2Evaluate, is based on…

Methodology · Statistics 2022-06-09 Jeroen M. Goedhart , Thomas Klausch , Mark A. van de Wiel

We present a new approach for efficient exploration which leverages a low-dimensional encoding of the environment learned with a combination of model-based and model-free objectives. Our approach uses intrinsic rewards that are based on the…

Machine Learning · Computer Science 2022-04-18 Ruo Yu Tao , Vincent François-Lavet , Joelle Pineau

Autonomous 3D environment exploration is a fundamental task for various applications such as navigation. The goal of exploration is to investigate a new environment and build its occupancy map efficiently. In this paper, we propose a new…

Artificial Intelligence · Computer Science 2021-11-03 Liu Juncheng , McCane Brendan , Mills Steven

The radiative response of any object is governed by a surface parameter known as emissivity. Tuning the emissivity of surfaces has been of great interest in many applications involving thermal radiation such as thermophotovoltaics, thermal…

Applied Physics · Physics 2022-11-01 Greg Acosta , Andrew Reicks , Miguel Moreno , Alireza Borjali , Craig Zuhlke , Mohammad Ghashami

Rapidly determining structure-property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of…

The capabilities of additive manufacturing have facilitated the design and production of mechanical metamaterials with diverse unit cell geometries. Establishing linkages between the vast design space of unit cells and their effective…

Computational Engineering, Finance, and Science · Computer Science 2025-05-05 Hooman Danesh , Maruthi Annamaraju , Tim Brepols , Stefanie Reese , Surya R. Kalidindi

Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed…

Computational Physics · Physics 2025-03-12 Jamie Holber , Krishna Garikipati

Real-life combinatorial optimization problems often involve several conflicting objectives, such as price, product quality and sustainability. A computationally-efficient way to tackle multiple objectives is to aggregate them into a…

Artificial Intelligence · Computer Science 2025-08-28 Marianne Defresne , Jayanta Mandi , Tias Guns

Active learning aims to reduce annotation cost by predicting which samples are useful for a human expert to label. Although this field is quite old, several important challenges to using active learning in real-world settings still remain…

Machine Learning · Computer Science 2021-04-27 Louis Desreumaux , Vincent Lemaire

Recent improvements in additive manufacturing and high-throughput material synthesis have enabled the discovery of novel metallic materials for extreme environments. However, high-fidelity testing of advanced mechanical properties such as…

Materials Science · Physics 2025-02-20 C. Bean , M. Calvat , Y. Nie , R. L Black , N. Velisavljevic , D. Anjaria , M. A. Charpagne , J. C. Stinville

The discovery of new energetic materials is critical for advancing technologies from defense to private industry. However, experimental approaches remain slow and expensive while computational alternatives require accurate material property…

This study adopts a design-oriented approach to integrate traditional braids with commonly used matrix materials, developing creative materials with different sensory properties by altering matrix material types and braid patterns. Based on…

Human-Computer Interaction · Computer Science 2025-09-09 Yuxin Zhang , Fan Zhang , Jinjun Xia , Chao Zhao

We show how to obtain improved active learning methods in the agnostic (adversarial noise) setting by combining marginal leverage score sampling with non-independent sampling strategies that promote spatial coverage. In particular, we…

Machine Learning · Computer Science 2024-05-07 Atsushi Shimizu , Xiaoou Cheng , Christopher Musco , Jonathan Weare

Many materials processes and properties depend on the anisotropy of the energy of grain boundaries, i.e.~on the fact that this energy is a function of the five geometric degrees of freedom (DOF) of the interface. To access this parameter…

Materials Science · Physics 2023-07-26 Timo Schmalofski , Martin Kroll , Holger Dette , Rebecca Janisch

Learning curves are a measure for how the performance of machine learning models improves given a certain volume of training data. Over a wide variety of applications and models it was observed that learning curves follow -- to a large…

Machine Learning · Computer Science 2023-10-13 Laura Didyk , Brayden Yarish , Michael A. Beck , Christopher P. Bidinosti , Christopher J. Henry

Artificial Intelligence and Machine Learning algorithms have considerable potential to influence the prediction of material properties. Additive materials have a unique property prediction challenge in the form of surface roughness effects…

In this experience report, we apply deep active learning to the field of design optimization to reduce the number of computationally expensive numerical simulations. We are interested in optimizing the design of structural components, where…

Machine Learning · Computer Science 2024-03-21 Jens Decke , Christian Gruhl , Lukas Rauch , Bernhard Sick

Hemodynamic parameters such as pressure and wall shear stress play an important role in diagnosis, prognosis, and treatment planning in cardiovascular diseases. These parameters can be accurately computed using computational fluid dynamics…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Patryk Rygiel , Julian Suk , Kak Khee Yeung , Christoph Brune , Jelmer M. Wolterink