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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 bottlenec...
Quantum systems with many degrees of freedom are inherently difficult to describe and simulate quantitatively. The space of possible states is, in general, exponentially large in the number of degrees of freedom such as the number of particles it contains. Standard digital high-performance computing is generally too weak to capture all the necessary details, such that alternative quantum simulation devices have been proposed as a solution. Artificial neural networks, with their high non-local connectivity between the neuron degrees of freedom, may soon gain importance in simulating static and dynamical behavior of quantum systems. Particularly promising candidates are neuromorphic realizatio...
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Quantum mechanics, the subfield of physics that describes the behavior of very small (quantum) particles, provides the basis for a new paradigm of computing. First proposed in the 1980s as a way to improve computational modeling of quantum systems, the field of quantum computing has recently garnered significant attention due to progress in building small-scale devices. However, significant technical advances will be required before a large-scale, practical quantum computer can be achieved. Quantum Computing: Progress and Prospects provides an introduction to the field, including the unique characteristics and constraints of the technology, and assesses the feasibility and implications of creating a functional quantum computer capable of addressing real-world problems. This report considers hardware and software requirements, quantum algorithms, drivers of advances in quantum computing and quantum devices, benchmarks associated with relevant use cases, the time and resources required, and how to assess the probability of success.
Will research soon be done by artificial intelligence, thereby making human researchers superfluous? This book explains modern approaches to discovering physical concepts with machine learning and elucidates their strengths and limitations. The automation of the creation of experimental setups and physical models, as well as model testing are discussed. The focus of the book is the automation of an important step of the model creation, namely finding a minimal number of natural parameters that contain sufficient information to make predictions about the considered system. The basic idea of this approach is to employ a deep learning architecture, SciNet, to model a simplified version of a physicist's reasoning process. SciNet finds the relevant physical parameters, like the mass of a particle, from experimental data and makes predictions based on the parameters found. The author demonstrates how to extract conceptual information from such parameters, e.g., Copernicus' conclusion that the solar system is heliocentric.
This book constitutes the refereed proceedings of the 15th International Conference on Artificial General Intelligence, AGI 2022, held as a hybrid event in Seattle, WA, USA, in August 2022. The 31 full papers presented in this book were carefully reviewed and selected from 61 submissions. The papers cover topics from foundations of AGI, to AGI approaches and AGI ethics, to the roles of systems biology, goal generation, and learning systems, and so much more. Additionally, this volume contains 13 posters.
Beyond its identification with the second law of thermodynamics, entropy is a formidable tool for describing systems in their relationship with their environment. This book proposes to go through some of these situations where the formulation of entropy, and more precisely, the production of entropy in out-of-equilibrium processes, makes it possible to forge an approach to the behavior of very different systems. Whether for dimensioning structures; influencing parameter variability; or optimizing power, efficiency, or waste heat reduction, simulations based on entropy production offer a tool that is both compact and reliable. In the case of systems marked by complexity, it appears to be the only way. In that sense, realistic optimization can be carried out, integrating within the same framework both the system and all the constraints and boundary conditions that define it. Simulations based on entropy give the researcher a powerful analytical framework that crosses the disciplines of physics and links them together.
Malignancy brain metastasis is a common event that negatively impacts the survival and quality of life of patients. Different sites and numbers of intracranial metastases can bring about different symptoms, the most common of which include nausea and vomiting, and unsteadiness. Magnetic resonance imaging (MRI) is the most widespread means of brain metastases diagnosis, while the availability of new MRI sequences, functional imaging techniques, and new contrast agents will facilitate the detection of microscopic intracranial metastases. However, there is still a lack of effective early detection methods for meningeal metastases, which often exhibit resistance to multiple treatments and are as...
Unique coverage of Monte Carlo methods for both continuum and lattice systems, explaining particularly analysis of phase transitions.