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Recent advances in geometric deep learning and generative modeling have enabled the design of novel proteins with a wide range of desired properties. However, current state-of-the-art approaches are typically restricted to generating…

Biomolecules · Quantitative Biology 2025-08-26 Vsevolod Viliuga , Leif Seute , Nicolas Wolf , Simon Wagner , Arne Elofsson , Jan Stühmer , Frauke Gräter

Biological systems in nature have evolved for millions of years to adapt and survive the environment. Many features they developed can be inspirational and beneficial for solving technical problems in modern industries. This leads to a…

Computation and Language · Computer Science 2022-12-27 Qihao Zhu , Xinyu Zhang , Jianxi Luo

Structured pruning of filters or neurons has received increased focus for compressing convolutional neural networks. Most existing methods rely on multi-stage optimizations in a layer-wise manner for iteratively pruning and retraining which…

Computer Vision and Pattern Recognition · Computer Science 2019-03-25 Shaohui Lin , Rongrong Ji , Chenqian Yan , Baochang Zhang , Liujuan Cao , Qixiang Ye , Feiyue Huang , David Doermann

Using particle-scale models to accurately describe property enhancements and phase transitions in macroscopic behavior is a major engineering challenge in composite materials science. To address some of these challenges, we use the graph…

Disordered Systems and Neural Networks · Physics 2018-09-12 Samuel Heroy , Dane Taylor , Feng Shi , M. Gregory Forest , Peter J. Mucha

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Daniel Bugas , Brandon Runnels

Hub structure, characterized by a few highly interconnected nodes surrounded by a larger number of nodes with fewer connections, is a prominent topological feature of biological brains, contributing to efficient information transfer and…

Machine Learning · Computer Science 2023-07-06 Zhaoze Wang , Junsong Wang

Accurate load forecasting remains a formidable challenge in numerous sectors, given the intricate dynamics of dynamic power systems, which often defy conventional statistical models. As a response, time-series methodologies like ARIMA and…

Computational Engineering, Finance, and Science · Computer Science 2023-09-25 Anuvab Sen , Vedica Gupta , Chi Tang

Generative modeling has recently undergone remarkable advancements, primarily propelled by the transformative implications of Diffusion Probabilistic Models (DPMs). The impressive capability of these models, however, often entails…

Machine Learning · Computer Science 2023-10-03 Gongfan Fang , Xinyin Ma , Xinchao Wang

Lattice structures are increasingly used in various fields of application due to the steady growth of additive manufacturing technology. Depending on the type of lattice, these structures are more or less suitable for energy absorption due…

Applied Physics · Physics 2024-12-10 Sören Bieler , Kerstin Weinberg

Simulation-based optimization is a useful method for practical design problems. However, it is difficult for complicated problems due to expensive-computational costs. A popular way to overcome this issue is to use a surrogate model to save…

Signal Processing · Electrical Eng. & Systems 2019-12-11 Yu Li , Hu Wang , Ziming Wen , Xin Wang

Auxetics refer to a class of engineered structures which exhibit an overall negative Poisson's ratio. These structures open up various potential opportunities in impact resistance, high energy absorption, and flexible robotics, among…

Computational Engineering, Finance, and Science · Computer Science 2022-10-05 Joshua Prendergast , Manaswin Oddiraju , Mostafa Nouh , Souma Chowdhury

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is…

Machine Learning · Computer Science 2024-03-12 Tailin Wu , Takashi Maruyama , Long Wei , Tao Zhang , Yilun Du , Gianluca Iaccarino , Jure Leskovec

The microstructure critically governs the properties of materials used in energy and chemical engineering technologies, from catalysts and filters to thermal insulators and sensors. Therefore, accurate design is based on quantitative…

Computational Engineering, Finance, and Science · Computer Science 2026-01-29 Maksym Szemer , Szymon Buchaniec , Grzegorz Brus

Bolted joints are critical in engineering for maintaining structural integrity and reliability. Accurate prediction of parameters influencing their function and behavior is essential for optimal performance. Traditional methods often fail…

Machine Learning · Computer Science 2025-08-28 Ines Boujnah , Nehal Afifi , Andreas Wettstein , Sven Matthiesen

Robustness, the ability of a system to maintain performance under significant and unanticipated environmental changes, is a critical property for robotic systems. While biological systems naturally exhibit robustness, there is no…

Robotics · Computer Science 2024-08-20 Xing Li , Oussama Zenkri , Adrian Pfisterer , Oliver Brock

Bio-inspired composites are a great promise for mimicking the extraordinary and highly efficient properties of natural materials. Recent developments in voxel-by-voxel 3D printing have enabled extreme levels of control over the material…

Localized deformation patterns are a common motif in morphogenesis and are increasingly finding widespread applications in materials science, for instance as memory devices. Here we describe the emergence of spatially localized deformations…

Soft Condensed Matter · Physics 2019-06-12 Thomas C. T. Michaels , Remy Kusters , Alexander J. Dear , Cornelis Storm , James C. Weaver , L. Mahadevan

Tendon-bone enthesis connects tendon and bone, two mechanically dissimilar materials, while effectively minimizing stress concentrations, a capability rarely achieved in engineering materials. Its hierarchical organization and graded…

Soft Condensed Matter · Physics 2026-04-14 Zhangke Yang , Zhaoxu Meng

Designing and fabricating structures with specific mechanical properties requires understanding the intricate relationship between design parameters and performance. Understanding the design-performance relationship becomes increasingly…

Graphics · Computer Science 2024-08-28 Samuel Silverman , Kelsey L. Snapp , Keith A. Brown , Emily Whiting

We are interested in the design of generative networks. The training of these mathematical structures is mostly performed with the help of adversarial (min-max) optimization problems. We propose a simple methodology for constructing such…

Machine Learning · Computer Science 2021-07-16 Kalliopi Basioti , George V. Moustakides
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