相关论文: Pattern Discovery and Computational Mechanics
Algorithms are the engine for reproducible problem-solving. We present a framework automating algorithm discovery by conceptualizing them as sequences of operations, represented as tokens. These computational tokens are chained using a…
Quantitative social science is not only about regression analysis or, in general, data inference. Computer simulations of social mechanisms have a 60-year long history. They have been used for many different purposes -- to test scenarios,…
We offer a view of mathematics as an experimental science where axioms play the role of foundational theories like general relativity and quantum mechanics in physics. Under this view, axioms are provisional and inferred from experience…
This paper examines conceptual models and their application to computational thinking. Computational thinking is a fundamental skill for everybody, not just for computer scientists. It has been promoted as skills that are as fundamental for…
Fuelled by increasing computer power and algorithmic advances, machine learning techniques have become powerful tools for finding patterns in data. Since quantum systems produce counter-intuitive patterns believed not to be efficiently…
The characterization and analysis of microstructure is the foundation of microstructural science, connecting the materials structure to its composition, process history, and properties. Microstructural quantification traditionally involves…
Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…
In this short note, we discuss the basic approach to computational modeling of dynamical systems. If a dynamical system contains multiple time scales, ranging from very fast to slow, computational solution of the dynamical system can be…
This chapter provides a tutorial overview of first principles methods to describe the properties of matter at the ground state or equilibrium. It begins with a brief introduction to quantum and statistical mechanics for predicting the…
Human societies continuously transform scattered information into collective judgments and coordinated action, whether through markets discovering prices, governments allocating resources, communities enforcing norms, or science converging…
A substantial fraction of the time that computational modellers dedicate to developing their models is actually spent trouble-shooting and debugging their code. However, how this process unfolds is seldom spoken about, maybe because it is…
Quantum computing is a new model of computation, based on quantum physics. Quantum computers can be exponentially faster than conventional computers for problems such as factoring. Besides full-scale quantum computers, more restricted…
Computational design is aimed at supporting or automating design processes using computational techniques. However, some classes of design tasks involve criteria that are difficult to handle only with computers. For example, visual design…
The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…
Stochastic processes offer a flexible mathematical formalism to model and reason about systems. Most analysis tools, however, start from the premises that models are fully specified, so that any parameters controlling the system's dynamics…
Mathematical modelling allows us to concisely describe fundamental principles in biology. Analysis of models can help to both explain known phenomena, and predict the existence of new, unseen behaviours. Model analysis is often a complex…
Basic principles of mathematical modeling are reviewed in this book, with the focus on physics and its practical applications, and examples of selected mathematical methods are presented. Most of the models have been imported from physics…
We introduce a statistical physics inspired supervised machine learning algorithm for classification and regression problems. The method is based on the invariances or stability of predicted results when known data is represented as…
Depth is a complexity measure for natural systems of the kind studied in statistical physics and is defined in terms of computational complexity. Depth quantifies the length of the shortest parallel computation required to construct a…
Neural network-based machine learning is capable of approximating functions in very high dimension with unprecedented efficiency and accuracy. This has opened up many exciting new possibilities, not just in traditional areas of artificial…