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Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…
The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…
Building socially-intelligent AI agents (Social-AI) is a multidisciplinary, multimodal research goal that involves creating agents that can sense, perceive, reason about, learn from, and respond to affect, behavior, and cognition of other…
Algorithmic agents permeate every instant of our online existence. Based on our digital profiles built from the massive surveillance of our digital existence, algorithmic agents rank search results, filter our emails, hide and show news…
Advanced neural interfaces are transforming applications ranging from neuroscience research to diagnostic tools (for mental state recognition, tremor and seizure detection) as well as prosthetic devices (for motor and communication…
Large language models (LLMs) have shown significant potential to change how we write, communicate, and create, leading to rapid adoption across society. This dissertation examines how individuals and institutions are adapting to and…
The deployment of artificial intelligence (AI) applications has accelerated rapidly. AI enabled technologies are facing the public in many ways including infrastructure, consumer products and home applications. Because many of these…
The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…
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…
Optimization is ubiquitous in our daily lives. In the past, (sub-)optimal solutions to any problem have been derived by trial and error, sheer luck, or the expertise of knowledgeable individuals. In our contemporary age, there thankfully…
Artificial Intelligence (AI) is one of the most transformative technologies of the 21st century. The extent and scope of future AI capabilities remain a key uncertainty, with widespread disagreement on timelines and potential impacts. As…
Novel digital data sources and tools like machine learning (ML) and artificial intelligence (AI) have the potential to revolutionize data about development and can contribute to monitoring and mitigating humanitarian problems. The potential…
Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and cooperative processes in polymer assemblies are…
Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous…
Artificial intelligence (AI) tools such as large language models (LLMs) are already altering student learning. Unlike previous technologies, LLMs can independently solve problems regardless of student understanding, yet are not always…
In this chapter, we reflect on the use of Artificial Intelligence (AI) and its acceptance in clinical environments. We develop a general view of hindrances for clinical acceptance in the form of a pipeline model combining AI and clinical…
Multimodal Large Language Models (MLLMs) excel in general domains but struggle with complex, real-world science. We posit that polymer science, an interdisciplinary field spanning chemistry, physics, biology, and engineering, is an ideal…
The improvement of computers' capacities, advancements in algorithmic techniques, and the significant increase of available data have enabled the recent developments of Artificial Intelligence (AI) technology. One of its branches, called…
Artificial intelligence has provided us with an exploration of a whole new research era. As more data and better computational power become available, the approach is being implemented in various fields. The demand for it in health…
Machine learning (ML) and artificial intelligence (AI) tools increasingly permeate every possible social, political, and economic sphere; sorting, taxonomizing and predicting complex human behaviour and social phenomena. However, from…