相关论文: Periodic Topological Deep Learning for Polymer Des…

Pairwise difference learning (PDL) has recently been introduced as a new meta-learning technique for regression. Instead of learning a mapping from instances to outcomes in the standard way, the key idea is to learn a function that takes…

Topological data analysis, as a tool for extracting topological features and characterizing geometric shapes, has experienced significant development across diverse fields. Its key mathematical techniques include persistent homology and the…

Periodic time series (PTS) forecasting plays a crucial role in a variety of industries to foster critical tasks, such as early warning, pre-planning, resource scheduling, etc. However, the complicated dependencies of the PTS signal on its…

Using computer simulations in two dimensions we investigate the dynamics and structure of passive polymeric tracer with different topologies immersed in a low-density active particle bath. One of the key observations is that polymer exhibit…

Deep metric learning (DML) involves training a network to learn a semantically meaningful representation space. Many current approaches mine n-tuples of examples and model interactions within each tuplets. We present a novel, compositional…

Deep learning has revolutionized biomedical research by providing sophisticated methods to handle complex, high-dimensional data. Multimodal deep learning (MDL) further enhances this capability by integrating diverse data types such as…

Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale nature poses significant modeling challenges. Conventional…

Accurate prediction of polymer properties is essential for materials design, but remains challenging due to data scarcity, diverse polymer representations, and the lack of systematic evaluation across modelling choices. Here, we present…

Recently, topological deep learning (TDL), which integrates algebraic topology with deep neural networks, has achieved tremendous success in processing point-cloud data, emerging as a promising paradigm in data science. However, TDL has not…

The increasing focus on predicting renewable energy production aligns with advancements in deep learning (DL). The inherent variability of renewable sources and the complexity of prediction methods require robust approaches, such as DL…

Aperiodic tiling --- a form of complex global geometric structure arising through locally checkable, constant-time matching rules --- has long been closely tied to a wide range of physical, information-theoretic, and foundational…

Understanding and predicting the glassy dynamics of polymers remain fundamental challenges in soft matter physics. While the Elastically Collective Nonlinear Langevin Equation (ECNLE) theory has been successful in describing relaxation…

We present a novel approach to design durable and chemically recyclable ring-opening polymerization (ROP) class polymers. This approach employs digital reactions using virtual forward synthesis (VFS) to generate over 7 million ROP polymers…

The ability of a feed-forward neural network to learn and classify different states of polymer configurations is systematically explored. Performing numerical experiments, we find that a simple network model can, after adequate training,…

Three novel applications of computational topology in the field of fusion science are developed. A procedure for the automatic classification of the orbits of magnetic field lines into topologically distinct classes using Vietoris-Rips…

In the field of Learning from Demonstration (LfD), enabling robots to generalize learned manipulation skills to novel scenarios for long-horizon tasks remains challenging. Specifically, it is still difficult for robots to adapt the learned…

The industry increasingly relies on deep learning (DL) technology for manufacturing inspections, which are challenging to automate with rule-based machine vision algorithms. DL-powered inspection systems derive defect patterns from labeled…

Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used to predict several properties in solid-state chemistry, in…

Integrating histopathology with spatial transcriptomics (ST) provides a powerful opportunity to link tissue morphology with molecular function. Yet most existing multimodal approaches rely on a small set of highly variable genes, which…

Deep learning algorithms provide a new paradigm to study high-dimensional dynamical behaviors, such as those in fusion plasma systems. Development of novel model reduction methods, coupled with detection of abnormal modes with plasma…