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Related papers: Adaptive AI-Driven Material Synthesis: Towards Aut…

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The rise in additive manufacturing comes with unique opportunities and challenges. Massive part customization and rapid design changes are made possible with additive manufacturing, however, manufacturing industries that desire the…

Robotics · Computer Science 2024-03-29 Joyce Xin-Yan Lim , Quang-Cuong Pham

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Process synthesis experiences a disruptive transformation accelerated by digitization and artificial intelligence. We propose a reinforcement learning algorithm for chemical process design based on a state-of-the-art actor-critic logic. Our…

Machine Learning · Computer Science 2024-01-17 Laura Stops , Roel Leenhouts , Qinghe Gao , Artur M. Schweidtmann

Generative adversarial networks (GANs) has gained tremendous popularity lately due to an ability to reinforce quality of its predictive model with generated objects and the quality of the generative model with and supervised feedback. GANs…

Computer Vision and Pattern Recognition · Computer Science 2017-05-31 Evgeny Zamyatin , Andrey Filchenkov

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

Deep Neural Networks (DNNs) have shown unparalleled achievements in numerous applications, reflecting their proficiency in managing vast data sets. Yet, their static structure limits their adaptability in ever-changing environments. This…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Yunjie Zhu , Yunhao Chen

Machine Learning methods and, in particular, Artificial Neural Networks (ANNs) have demonstrated promising capabilities in material constitutive modeling. One of the main drawbacks of such approaches is the lack of a rigorous frame based on…

Machine Learning · Computer Science 2020-12-18 Filippo Masi , Ioannis Stefanou , Paolo Vannucci , Victor Maffi-Berthier

Two-dimensional (2D) materials, such as graphene, transition metal dichalcogenides (TMDs), and hBN, exhibit intriguing properties that are sensitive to their atomic-scale structures and can be further enriched through van der Waals (vdW)…

Multi-material 3D printing, particularly through polymer jetting, enables the fabrication of digital materials by mixing distinct photopolymers at the micron scale within a single build to create a composite with tunable mechanical…

The field of image synthesis is currently flourishing due to the advancements in diffusion models. While diffusion models have been successful, their computational intensity has prompted the pursuit of more efficient alternatives. As a…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Zanlin Ni , Yulin Wang , Renping Zhou , Jiayi Guo , Jinyi Hu , Zhiyuan Liu , Shiji Song , Yuan Yao , Gao Huang

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Active nanophotonic materials that can emulate and adapt between many different spectral profiles -- with high fidelity and over a broad bandwidth -- could have a far-reaching impact, but are challenging to design due to a high-dimensional…

Optics · Physics 2024-02-16 Yujie Luo , Thomas Christensen , Ognjen Ilic

Stress prediction in porous materials and structures is challenging due to the high computational cost associated with direct numerical simulations. Convolutional Neural Network (CNN) based architectures have recently been proposed as…

Computational Engineering, Finance, and Science · Computer Science 2023-11-07 Vasilis Krokos , Stéphane P. A. Bordas , Pierre Kerfriden

Machine learning in materials science faces challenges due to limited experimental data, as generating synthesis data is costly and time-consuming, especially with in-house experiments. Mining data from existing literature introduces issues…

Computational Physics · Physics 2025-03-11 Devi Dutta Biswajeet , Sara Kadkhodaei

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pipeline that leverages…

Computer Vision and Pattern Recognition · Computer Science 2024-09-20 Sakhinana Sagar Srinivas , Geethan Sannidhi , Sreeja Gangasani , Chidaksh Ravuru , Venkataramana Runkana

Knitted sensors frequently suffer from inconsistencies due to innate effects such as offset, relaxation, and drift. These properties, in combination, make it challenging to reliably map from sensor data to physical actuation. In this paper,…

Systems and Control · Electrical Eng. & Systems 2023-10-20 Roland Aigner , Andreas Stöckl

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Grasp synthesis is one of the challenging tasks for any robot object manipulation task. In this paper, we present a new deep learning-based grasp synthesis approach for 3D objects. In particular, we propose an end-to-end 3D Convolutional…

Robotics · Computer Science 2020-09-15 Yikun Li , Lambert Schomaker , S. Hamidreza Kasaei

A multi-agent AI model is used to automate the discovery of new metallic alloys, integrating multimodal data and external knowledge including insights from physics via atomistic simulations. Our multi-agent system features three key…

Materials Science · Physics 2024-10-18 Alireza Ghafarollahi , Markus J. Buehler