Representing a molecule in a way that captures both its structure and function is central to tasks such as molecular property prediction, drug drug ...

The original version of this story appeared in Quanta Magazine. In 1974, five years before he wrote his Pulitzer Prize–winning book Gödel, Escher, Bach: An Eternal Golden Braid, Douglas Hofstadter was ...

Alzheimer’s disease is a devastating neurodegenerative disorder characterized by memory loss and cognitive decline. New AD treatments are essential, and drug repositioning is a promising approach. In ...

Abstract: Approximation-based spectral graph neural networks, which construct graph filters with function approximation, have shown substantial performance in graph learning tasks. Despite their great ...

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Department of Systems Biology, Harvard Medical School, Boston, MA, United States The linear framework uses finite, directed graphs with labelled edges to model biomolecular systems. Graph vertices ...

Abstract: Graph Fourier transform (GFT) is an important tool for analyzing the irregular graph signals collected from various real-world networks. One of its applications is the graph Fourier ...

President Putin announced a partial mobilisation of Russian forces on Friday in response to Ukraine’s stunning counteroffensive in eastern stretches of the warzone. About 300,000 reservists and ...

A mathematical function is a formula that takes an input, x, applies a set of calculations to it, and produces an output called y. By calculating a function at a large number of set intervals, it is ...