相关论文: Neural network based path collective variables for…

A standard technique for understanding underlying dependency structures among a set of variables posits a shared conditional probability distribution for the variables measured on individuals within a group. This approach is often referred…

We study the mathematical structure of covariant phase observables. Such an observable can alternatively be expressed as a phase matrix, as a sequence of unit vectors, as a sequence of phase states, or as an equivalent class of covariant…

Chemical reaction sampling critically depends on collective variables (CVs) that capture the slow degrees of freedom governing reactive transformations. However, existing reaction CVs are often defined in geometric space or learned in a…

General relativity uses curved space-time to describe accelerating frames. The movement of particles in different curved space-times can be regarded as equivalent physical processes based on the covariant transformation between different…

Deep neural networks are widely used for understanding 3D point clouds. At each point convolution layer, features are computed from local neighborhoods of 3D points and combined for subsequent processing in order to extract semantic…

Single-image piece-wise planar 3D reconstruction aims to simultaneously segment plane instances and recover 3D plane parameters from an image. Most recent approaches leverage convolutional neural networks (CNNs) and achieve promising…

The main goal of this paper is to present the application of structural sums, mathematical objects originating from the computational materials science, in construction of a feature space vector of 2D random composites simulated by…

Although Monte Carlo path tracing is a simple and effective algorithm to synthesize photo-realistic images, it is often very slow to converge to noise-free results when involving complex global illumination. One of the most successful…

We propose a systematic methodology to identify the topological phase transition through a self-supervised machine learning model, which is trained to correlate system parameters to the non-local observables in time-of-flight experiments of…

This paper develops a unified and computationally efficient method for change-point estimation along the time dimension in a non-stationary spatio-temporal process. By modeling a non-stationary spatio-temporal process as a piecewise…

Many works in the recent literature introduce semantic mapping methods that use CNNs (Convolutional Neural Networks) to recognize semantic properties in images. The types of properties (eg.: room size, place category, and objects) and their…

Graph neural networks (GNNs) are a well-regarded tool for learned control of networked dynamical systems due to their ability to be deployed in a distributed manner. However, current distributed GNN architectures assume that all nodes in…

We present a numerical method to identify regions of phase space that are approximately retained in a mobile compact neighbourhood over a finite time duration. Our approach is based on spatio-temporal clustering of trajectory data. The main…

Sampling-based motion planning is a popular approach in robotics for finding paths in continuous configuration spaces. Checking collision with obstacles is the major computational bottleneck in this process. We propose new learning-based…

Convolutional Neural Networks demonstrate high performance on ImageNet Large-Scale Visual Recognition Challenges contest. Nevertheless, the published results only show the overall performance for all image classes. There is no further…

Multivariate networks are commonly found in real-world data-driven applications. Uncovering and understanding the relations of interest in multivariate networks is not a trivial task. This paper presents a visual analytics workflow for…

Understanding protein conformational dynamics is essential for elucidating biological function but remains challenging due to the wide range of timescales and the complexity of collective motions. Enhanced sampling methods overcome…

The dynamics in a confined turbulent convection flow is dominated by multiple long-lived macroscopic circulation states, which are visited subsequently by the system in a Markov-type hopping process. In the present work, we analyze the…

Modular variables serve as a striking example of quantum nonlocality, particularly in superpositions of wave packets that are spatially well separated, where the relative phase between components cannot be accessed through conventional…

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics - in particular, confinement effects which…