Related papers: Human-AI Co-Creation Approach to Find Forever Chem…
There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy systems, pandemics, among others. In certain domains like…
The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress in sampling molecular structures across chemical species,…
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…
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…
Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches…
As artificial intelligence (AI) continues to evolve from a back-end computational tool into an interactive, generative collaborator, its integration into early-stage design processes demands a rethinking of traditional workflows in…
Generative AI models are increasingly being integrated into human task workflows, enabling the production of expressive content across a wide range of contexts. Unlike traditional human-AI design methods, the new approach to designing…
Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…
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…
How can we use generative AI to design tools that augment rather than replace human cognition? In this position paper, we review our own research on AI-assisted decision-making for lessons to learn. We observe that in both AI-assisted…
Generative, ML-driven interactive systems have the potential to change how people interact with computers in creative processes - turning tools into co-creators. However, it is still unclear how we might achieve effective human-AI…
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…
Generative AI, i.e., the group of technologies that automatically generate visual or written content based on text prompts, has undergone a leap in complexity and become widely available within just a few years. Such technologies…
Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the…
Human-AI co-creativity represents a transformative shift in how humans and generative AI tools collaborate in creative processes. This chapter explores the synergies between human ingenuity and AI capabilities across four levels of…
New systems employ Machine Learning to sift through large knowledge sources, creating flexible Large Language Models. These models discern context and predict sequential information in various communication forms. Generative AI, leveraging…
Generative Artificial Intelligence (Generative AI) is a collection of AI technologies that can generate new information such as texts and images. With its strong capabilities, Generative AI has been actively studied in creative design…
Generative AI, such as image generation models and large language models, stands to provide tremendous value to end-user programmers in creative and knowledge workflows. Current research methods struggle to engage end-users in a realistic…
Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…
Generative AI (GenAI) tools are radically expanding the scope and capability of automation in knowledge work such as academic research. While promising for augmenting cognition and streamlining processes, AI-assisted research tools may also…