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The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

Chemical Physics · Physics 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

Material node graphs are programs that generate the 2D channels of procedural materials, including geometry such as roughness and displacement maps, and reflectance such as albedo and conductivity maps. They are essential in computer…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Jonas Belouadi , Tamy Boubekeur , Adrien Kaiser

We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…

Machine Learning · Computer Science 2023-09-01 Santiago Miret , Kin Long Kelvin Lee , Carmelo Gonzales , Marcel Nassar , Matthew Spellings

Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materials--most devices and technologies require careful design of…

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-11 Zhenzhong Wang , Haowei Hua , Wanyu Lin , Ming Yang , Kay Chen Tan

A growing number of papers are published in the area of superconducting materials science. However, novel text and data mining (TDM) processes are still needed to efficiently access and exploit this accumulated knowledge, paving the way…

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Recent advancements in Large Vision-Language Models (LVLMs) have demonstrated impressive capabilities across various multimodal tasks. They continue, however, to struggle with trivial scenarios such as reading values from Digital…

Computer Vision and Pattern Recognition · Computer Science 2025-09-01 João Valente , Atabak Dehban , Rodrigo Ventura

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability.…

Materials Science · Physics 2025-12-29 Izumi Takahara , Teruyasu Mizoguchi , Bang Liu

This study introduces a dataset consisting of approximately 9,000 images of mechanical mechanisms and their corresponding descriptions, aimed at supporting research in mechanism design. The dataset consists of a diverse collection of 2D and…

Computer Vision and Pattern Recognition · Computer Science 2024-09-09 Farshid Ghezelbash , Amir Hossein Eskandari , Amir J Bidhendi

Data-driven design is emerging as a powerful strategy to accelerate engineering innovation. However, its application to vehicle wheel design remains limited due to the lack of large-scale, high-quality datasets that include 3D geometry and…

Computer Vision and Pattern Recognition · Computer Science 2025-04-17 Soyoung Yoo , Namwoo Kang

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Recently there has been an ever-increasing trend in the use of machine learning (ML) and artificial intelligence (AI) methods by the materials science, condensed matter physics, and chemistry communities. This perspective article identifies…

Materials Science · Physics 2020-03-20 Brian DeCost , Jason Hattrick-Simpers , Zachary Trautt , Aaron Kusne , Eva Campo , Martin Green

One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to efficiently optimize this search, exploring the immense…

Materials Science · Physics 2021-08-04 Gabriel R. Schleder , Bruno Focassio , Adalberto Fazzio

The discovery of new materials as well as the determination of a vast set of materials properties for science and technology is a fast growing field of research, with contributions from many groups worldwide. Materials data from individual…

A major barrier to developing vision large language models (LLMs) in dermatology is the lack of large image--text pairs dataset. We introduce DermaSynth, a dataset comprising of 92,020 synthetic image--text pairs curated from 45,205 images…

The advent of artificial intelligence (AI) has enabled a comprehensive exploration of materials for various applications. However, AI models often prioritize frequently encountered materials in the scientific literature, limiting the…

Materials Science · Physics 2023-08-29 Yang Jeong Park , Sung Eun Jerng , Jin-Sung Park , Choah Kwon , Chia-Wei Hsu , Zhichu Ren , Sungroh Yoon , Ju Li

Since the first successful synthesis of graphene just over a decade ago, a variety of two-dimensional (2D) materials (e.g., transition metal-dichalcogenides, hexagonal boron-nitride, etc.) have been discovered. Among the many unique and…

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets…

Machine Learning · Computer Science 2023-05-17 Cyril Picard , Jürg Schiffmann , Faez Ahmed

High throughput experimentation tools, machine learning (ML) methods, and open material databases are radically changing the way new materials are discovered. From the experimentally driven approach in the past, we are moving quickly…

Materials Science · Physics 2025-08-06 Albertus Denny Handoko , Riko I Made