Related papers: Generative artificial intelligence for computation…
The de novo design of molecular structures using deep learning generative models introduces an encouraging solution to drug discovery in the face of the continuously increased cost of new drug development. From the generation of original…
The development of artificial intelligence (AI) techniques has brought revolutionary changes across various realms. In particular, the use of AI-assisted methods to accelerate chemical research has become a popular and rapidly growing…
Generative Artificial Intelligence (AI) has rapidly advanced the field of computer vision by enabling machines to create and interpret visual data with unprecedented sophistication. This transformation builds upon a foundation of generative…
Machine learning is revolutionizing chemistry. Beyond the value of predictive models accelerating virtual screening, generative AI aims at enabling inverse design, reversing the compound-to-property prediction paradigm into…
In recent years, the study of artificial intelligence (AI) has undergone a paradigm shift. This has been propelled by the groundbreaking capabilities of generative models both in supervised and unsupervised learning scenarios. Generative AI…
Generative Artificial Intelligence is emerging as an important technology, promising to be transformative in many areas. At the same time, generative AI techniques are based on sampling from probabilistic models, and by default, they come…
Generative artificial intelligence (GenAI) has become a transformative approach in bioinformatics that often enables advancements in genomics, proteomics, transcriptomics, structural biology, and drug discovery. To systematically identify…
Generative models are a powerful tool in AI for material discovery. We are designing a software framework that supports a human-AI co-creation process to accelerate finding replacements for the ``forever chemicals''-- chemicals that enable…
Sparked by innovations in generative artificial intelligence (AI), the field of protein design has undergone a paradigm shift with an explosion of new models for optimizing existing enzymes or creating them from scratch. After more than one…
Generative Artificial Intelligence (GAI) represents an emerging field that promises the creation of synthetic data and outputs in different modalities. GAI has recently shown impressive results across a large spectrum of applications…
Quality assurance for large-scale cyber-physical systems relies on sophisticated test activities using complex test environments investigated with the help of numerous types of simulators. As these systems grow, extensive resources are…
As in many other fields, the rapid rise of generative artificial intelligence is reshaping materials discovery by offering new ways to propose crystal structures and, in some cases, even predict desired properties. This review provides a…
The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models…
Generative artificial intelligence (AI) is rapidly transforming medical imaging by enabling capabilities such as data synthesis, image enhancement, modality translation, and spatiotemporal modeling. This review presents a comprehensive and…
The integration of Generative Artificial Intelligence (AI) into autonomous machines represents a major paradigm shift in how these systems operate and unlocks new solutions to problems once deemed intractable. Although generative AI agents…
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…
Generative AI systems have entered everyday academic, professional, and personal life with remarkable speed, yet most users encounter them as mysterious artifacts rather than intelligible systems. This chapter discusses large language…
Although generative artificial intelligence (AI) is not new, recent technological breakthroughs have transformed its capabilities across many domains. These changes necessitate new attention from educators and specialized training within…
The rapid advance of generative AI is reshaping the strategic vision for R&D across industries. The unique challenges of pharmaceutical R&D will see applications of generative AI deliver value along the entire value chain from early…
Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…