相关论文: A novel graph-based formulation for characterizing…

The monography examines the problem of constructing a group of automorphisms of a graph. A graph automorphism is a mapping of a set of vertices onto itself that preserves adjacency. The set of such automorphisms forms a vertex group of a…

Node-link diagrams are a popular method for representing graphs that capture relationships between individuals, businesses, proteins, and telecommunication endpoints. However, node-link diagrams may fail to convey insights regarding graph…

Self-assembly is a fundamental concept in biology and of significant interest to nanotechnology. Significant progress has been made in characterizing and controlling the properties of the resulting structures, both experimentally and…

Graphs are commonly used to represent objects, such as images and text, for pattern classification. In a dynamic world, an object may continuously evolve over time, and so does the graph extracted from the underlying object. These changes…

Data-driven prediction of molecular properties presents unique challenges to the design of machine learning methods concerning data structure/dimensionality, symmetry adaption, and confidence management. In this paper, we present a…

Navigating topological transitions in cellular mechanical systems is a significant challenge for existing simulation methods. While abstract models lack predictive capabilities at the cellular level, explicit network representations…

Complex systems have motivated continuing interest from the scientific community, leading to new concepts and methods. Growing systems represent a case of particular interest, as their topological, geometrical, and also dynamical properties…

At the heart of many contemporary theories of life is the concept of biological self-organisation: organisms have to continuously produce and maintain the conditions of their own existence in order to stay alive. The way in which these…

We present a generic framework for modelling three-dimensional deformable shells of active matter that captures the orientational dynamics of the active particles and hydrodynamic interactions on the shell and with the surrounding…

We present a model for simulating performance of 3D nano -coaxial and -hemispherical thin film solar cells. The material system considered in these simulations is hydrogenated amorphous silicon (a-Si:H), with solar cells fabricated in an…

Multitask Reinforcement Learning is a promising way to obtain models with better performance, generalisation, data efficiency, and robustness. Most existing work is limited to compatible settings, where the state and action space dimensions…

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

The graphene morphology regulated by nanowires patterned in parallel on a substrate surface is quantitatively determined using energy minimization. The regulated graphene morphology is shown to be governed by the nanowire diameter, the…

Intermittent magnetohydrodynamical turbulence is most likely at work in the magnetized solar atmosphere. As a result, an array of scaling and multi-scaling image-processing techniques can be used to measure the expected self-organization of…

Novel optical elements containing semitransparent wavelike films embedded into the bulk of transparent material, which form a reflection image without transmitted light distortion, are studied. The dynamic theory of light diffraction by a…

The physical processes in the solar corona that shape the solar wind remain an active research topic. Modeling efforts have shown that energy and plasma exchanges near the transition region plays a crucial role in modulating solar wind…

Introduced the quantitative measure of the structural complexity of the graph (complex network, etc.) based on a procedure similar to the renormalization process, considering the difference between actual and averaged graph structures on…

We present an intuitive formalism for implementing cellular automata on arbitrary topologies. By that means, we identify a symmetry operation in the class of elementary cellular automata. Moreover, we determine the subset of topologically…

Recent advances in observational performance and numerical simulations have revolutionised our understanding of the solar chromosphere. This concerns in particular the structure and dynamics on small spatial and temporal scales. As a…

We introduce a new computational methodology for the identification and characterization of free volume within/around atomistic configurations. This scheme employs a three-stage workflow, by which spheres are iteratively grown inside of…