Related papers: Accelerating Material Design with the Generative T…
Generative AI models, including large language models and multimodal models that include text and other media, are on the cusp of transforming many aspects of modern life, including entertainment, education, civic life, the arts, and a…
Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…
Two fundamental challenges face generative models in engineering applications: the acquisition of high-performing, diverse datasets, and the adherence to precise constraints in generated designs. We propose a novel approach combining…
Generative models such as AlphaFold and MatterGen can directly generate novel material structures with desired properties, accelerating the new materials discovery and revolutionizing the material design paradigm from traditional…
Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to…
Generative deep learning is powering a wave of new innovations in materials design. In this article, we discuss the basic operating principles of these methods and their advantages over rational design through the lens of a case study on…
Predicting stable and metastable structures is central to molecular and materials discovery, but remains limited by the cost of searching high-dimensional energy landscapes. Deep generative models offer efficient structure sampling, yet…
In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…
Designers rely on visual search to explore and develop ideas in early design stages. However, designers can struggle to identify suitable text queries to initiate a search or to discover images for similarity-based search that can…
Generative Artificial Intelligence (AI), particularly tools like OpenAI's popular ChatGPT, is reshaping the landscape of computer science research. Used wisely, these tools can boost the productivity of a computer research scientist. This…
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…
Context. Generative models open up the possibility to interrogate scientific data in a more data-driven way. Aims: We propose a method that uses generative models to explore hypotheses in astrophysics and other areas. We use a neural…
Mechanical metamaterials utilize intricate architectural designs to achieve advanced properties beyond those of their bulk counterparts. Existing metamaterial designs often rely on design inspirations and extensive experimental and…
Context. In less than a year practitioners and researchers witnessed a rapid and wide implementation of Generative Artificial Intelligence. The daily availability of new models proposed by practitioners and researchers has enabled quick…
Generative deep learning systems offer powerful tools for artefact generation, given their ability to model distributions of data and generate high-fidelity results. In the context of computational creativity, however, a major shortcoming…
In the field of Human-Computer Interaction (HCI), interactive devices with embedded mechanical computation are gaining attention. The rise of these cutting-edge devices has created a need for specialized design tools that democratize the…
In recent years generative design techniques have become firmly established in numerous applied fields, especially in engineering. These methods are demonstrating intensive growth owing to promising outlook. However, existing approaches are…
Life and physical sciences have always been quick to adopt the latest advances in machine learning to accelerate scientific discovery. Examples of this are cell segmentation or cancer detection. Nevertheless, these exceptional results are…
The adaptation of Large Language Models like ChatGPT for information retrieval from scientific data, software and publications is offering new opportunities to simplify access to and understanding of science for persons from all levels of…
AI and generative AI tools, including chatbots like ChatGPT that rely on large language models (LLMs), have burst onto the scene this year, creating incredible opportunities to increase work productivity and improve our lives. Statisticians…