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

In molecular dynamics simulations, rare events, such as protein folding, are typically studied using enhanced sampling techniques, most of which are based on the definition of a collective variable (CV) along which acceleration occurs.…

This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space…

We propose an extended local-world evolving network model including a triad formation step. In the process of network evolution, random fluctuation in the number of new edges is involved. We derive analytical expressions for degree…

Environmental information can provide reliable prior information about human motion intent, which can aid the subject with wearable robotics to walk in complex environments. Previous researchers have utilized 1D signal and 2D images to…

If a given behavior of a multi-agent system restricts the phase variable to a invariant manifold, then we define a phase transition as change of physical characteristics such as speed, coordination, and structure. We define such a phase…

Large-scale coherent structures are identified in turbulent pipe flow at $Re_\tau=181$ by having long lifetimes, living on large scales and travelling with a certain group velocity. A Characteristic Dynamic Mode Decomposition (CDMD) is used…

Colloidal systems offer unique opportunities for the study of phase formation and structure since their characteristic length scales are accessible to visible light. As a model system the two dimensional assembly of colloidal magnetic and…

To better address challenging issues of the irregularity and inhomogeneity inherently present in 3D point clouds, researchers have been shifting their focus from the design of hand-craft point feature towards the learning of 3D point…

We employ a convolutional neural network to explore the distinct phases in random spin systems with the aim to understand the specific features that the neural network chooses to identify the phases. With the energy spectrum normalized to…

In this survey paper, we describe and characterize an extension to the classical path coupling method applied statistical mechanical models, referred to as aggregate path coupling. In conjunction with large deviations estimates, we use this…

Future trajectories play an important role across domains such as autonomous driving, hurricane forecasting, and epidemic modeling, where practitioners commonly generate ensemble paths by sampling probabilistic models or leveraging multiple…

We develop the structure theory for transformations of weakly geometric rough paths of bounded $1 < p$-variation and their controlled paths. Our approach differs from existing approaches as it does not rely on smooth approximations. We…

Radio deployments and spectrum planning benefit from path loss predictions. Obstructions along a communications link are often considered implicitly or through derived metrics such as representative clutter height or total obstruction…

Mobile robots that navigate in unknown environments need to be constantly aware of the dynamic objects in their surroundings for mapping, localization, and planning. It is key to reason about moving objects in the current observation and at…

Many random growth models have the property that the set of discovered sites, scaled properly, converges to some deterministic set as time grows. Such results are known as shape theorems. Typically, not much is known about the shapes. For…

In this paper we propose a unified framework for structured prediction with latent variables which includes hidden conditional random fields and latent structured support vector machines as special cases. We describe a local entropy…

Condensed-phase spectral line shapes encode the strength and timescale of interactions between molecules and their environments, yet these ideas are often difficult to introduce at the undergraduate level due to their reliance on formal…

AlphaFold is a neural-network-based tool for the prediction of 3D structures of protein. In CASP14, a blind structure prediction challenge, it performed significantly better than other competitors, which makes it the best available…

Accurate simulation of fluid flow in porous media is challenging due to complex pore-space geometries and the computational cost of solving the Navier-Stokes equations. This difficulty is particularly important when repeated simulations are…

In this paper, we propose a spatial graph convolution (GC) to classify signals on a graph. Existing GC methods are limited to using the structural information in the feature space. Additionally, the single step of GCs only uses features on…