Klaus-Robert Müller - Böcker

The development of “intelligent” systems that can take decisions and perform autonomously might lead to faster and more consistent decisions. A limiting factor for a broader adoption of AI technology is the inherent risks that come with giving up human control and oversight to “intelligent” machines. For sensitive tasks involving critical infrastructures and affecting human well-being or health, it is crucial to limit the possibility of improper, non-robust and unsafe decisions and actions. Before deploying an AI system, we see a strong need to validate its behavior, and thus establish guarantees that it will continue to perform as expected when deployed in a real-world environment. In pursuit of that objective, ways for humans to verify the agreement between the AI decision structure and their own ground-truth knowledge have been explored. Explainable AI (XAI) has developed as a subfield of AI, focused on exposing complex AI models to humans in a systematic and interpretable manner.The 22 chapters included in this book provide a timely snapshot of algorithms, theory, and applications of interpretable and explainable AI and AI techniques that have been proposed recently reflecting the current discourse in this field and providing directions of future development. The book is organized in six parts: towards AI transparency; methods for interpreting AI systems; explaining the decisions of AI systems; evaluating interpretability and explanations; applications of explainable AI; and software for explainable AI.

Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume.  To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.

This is an open access book.Statistical machine learning (ML) has triggered a renaissance of artificial intelligence (AI). While the most successful ML models, including Deep Neural Networks (DNN), have developed better predictivity, they have become increasingly complex, at the expense of human interpretability (correlation vs. causality). The field of explainable AI (xAI) has emerged with the goal of creating tools and models that are both predictive and interpretable and understandable for humans. Explainable AI is receiving huge interest in the machine learning and AI research communities, across academia, industry, and government, and there is now an excellent opportunity to push towards successful explainable AI applications. This volume will help the research community to accelerate this process, to promote a more systematic use of explainable AI to improve models in diverse applications, and ultimately to better understand how current explainable AI methods need to be improved and what kind of theory of explainable AI is needed.After overviews of current methods and challenges, the editors include chapters that describe new developments in explainable AI. The contributions are from leading researchers in the field, drawn from both academia and industry, and many of the chapters take a clear interdisciplinary approach to problem-solving. The concepts discussed include explainability, causability, and AI interfaces with humans, and the applications include image processing, natural language, law, fairness, and climate science.

This book constitutes the refereed proceedings of the 28th Symposium of the German Association for Pattern Recognition, DAGM 2006. The book presents 32 revised full papers and 44 revised poster papers together with 5 invited papers. Topical sections include image filtering, restoration and segmentation, shape analysis and representation, recognition, categorization and detection, computer vision and image retrieval, machine learning and statistical data analysis, biomedical data analysis, and more.

The second edition of the book adds more tricks, arising from fourteen years of work by some of the world's most prominent researchers. These can substantially improve speed, ease of implementation and accuracy when putting algorithms to work on real problems.

For ‘Recent Progress in Brain and Cognitive Engineering’Brain and Cognitive Engineering is a converging study field to derive a better understanding of cognitive information processing in the human brain, to develop “human-like” and neuromorphic artificial intelligent systems and to help predict and analyze brain-related diseases. The key concept of Brain and Cognitive Engineering is to understand the Brain, to interface the Brain, and to engineer the Brain. It could help us to understand the structure and the key principles of high-order information processing on how the brain works, to develop interface technologies between a brain and external devices and to develop artificial systems that  can ultimately mimic human brain functions. The convergence of behavioral, neuroscience and engineering research could lead us to advance health informatics and personal learning, to enhance virtual reality and healthcare systems, and to “reverse engineer” some brain functions and build cognitive robots.In this book, four different recent research directions are presented: Non-invasive Brain-Computer Interfaces, Cognitive- and Neural-rehabilitation Engineering, Big Data Neurocomputing, Early Diagnosis and Prediction of Neural Diseases. We cover numerous topics ranging from smart vehicles and online EEG analysis, neuroimaging for Brain-Computer Interfaces, memory implantation and rehabilitation, big data computing in cultural aspects and cybernetics to brain disorder detection. Hopefully this will provide a valuable reference for researchers in medicine, biomedical engineering, in industry and academia for their further investigations and be inspiring to those who seek the foundations to improve techniques and understanding of the Brain and Cognitive Engineeringresearch field.