相关论文: Topological Descriptors Help Predict Guest Adsorpt…

Identifying the qualitative changes in time-series data provides insights into the dynamics associated with such data. Such qualitative changes can be detected through topological approaches, which first embed the data into a…

Deep neural networks for 3D point cloud understanding have achieved remarkable success in object classification and recognition, yet recent work shows that these models remain highly vulnerable to adversarial perturbations. Existing 3D…

Classical unsupervised learning methods like clustering and linear dimensionality reduction parametrize large-scale geometry when it is discrete or linear, while more modern methods from manifold learning find low dimensional representation…

Surface wettability, governed by both topography and chemistry, plays a critical role in applications such as heat transfer, lubrication, microfluidics, and surface coatings. In this study, we present a machine learning (ML) framework…

Identifying relevant machine-learning features for multi-sensing platforms is both an applicative limitation to recognize environments and a necessity to interpret the physical relevance of transducers' complementarity in their information…

Trajectory analysis is not only about obtaining movement data, but it is also of paramount importance in understanding the pattern in which an object moves through space and time, as well as in predicting its next move. Due to the…

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Topological data analysis provides a set of tools to uncover low-dimensional structure in noisy point clouds. Prominent amongst the tools is persistence homology, which summarizes birth-death times of homological features using data objects…

Several studies have been recently reported in the literature on sorption properties of MOFs with a number of organic sorbates, such as ethanol and methanol. Surprisingly, still few studies have been reported on water sorbate despite its…

Topology is a powerful tool for categorizing magnetization textures by defining a topological index in both two-dimensional (2D) systems, such as thin films or curved surfaces, and in 3D bulk systems. In the emerging field of 3D…

Deformable objects present a formidable challenge for robotic manipulation due to the lack of canonical low-dimensional representations and the difficulty of capturing, predicting, and controlling such objects. We construct compact…

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen…

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…

This article aims to study the topological invariant properties encoded in node graph representational embeddings by utilizing tools available in persistent homology. Specifically, given a node embedding representation algorithm, we…

Designing high-performance amorphous alloys is demanding for various applications. But this process intensively relies on empirical laws and unlimited attempts. The high-cost and low-efficiency nature of the traditional strategies prevents…

Manipulation of material properties via precise doping affords enormous tunable phenomena to explore. Recent advance shows that in the atomic and nano scales topological states of dopants play crucial roles in determining their properties.…

Convolutional neural networks (CNNs) are a standard tool for computer vision tasks such as image classification. However, typical model architectures may result in the loss of topological information. In specific domains such as…

Classical shape descriptors such as Heat Kernel Signature (HKS), Wave Kernel Signature (WKS), and Signature of Histograms of OrienTations (SHOT), while widely used in shape analysis, exhibit sensitivity to mesh connectivity, sampling…

Topological data analysis (TDA) provides insight into data shape. The summaries obtained by these methods are principled global descriptions of multi-dimensional data whilst exhibiting stable properties such as robustness to deformation and…

Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations for polymer property evaluation, are both expensive and…