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Computational fluid dynamics (CFD) simulations are broadly used in many engineering and physics fields. CFD requires the solution of the Navier–Stokes (N-S) equations under complex flow and boundary conditions. However, applications of CFD simulations are computationally limited by the availability, speed, and parallelism of high-performance computing. To address this, machine learning techniques have been employed to create data-driven approximations for CFD to accelerate computational efficiency. Unfortunately, these methods predominantly depend on large labeled CFD datasets, which are costly to procure at the scale required for robust model development. In response, we introduce a weakly supervised approach that, through a multichannel input capturing boundary and geometric conditions, solves steady-state N-S equations. Our method achieves state-of-the-art results without relying on labeled simulation data, instead using a custom data-driven and physics-informed loss function and small-scale solutions to prime the model for solving the N-S equations. By training stacked models, we enhance resolution and predictability, yielding high-quality numerical solutions to N-S equations without hefty computational demands. Remarkably, our model, being highly adaptable, produces solutions on a 512 × 512 domain in a swift 7 ms, outpacing traditional CFD solvers by a factor of 1,000. This paves the way for real-time predictions on consumer hardware and Internet of Things devices, thereby boosting the scope, speed, and cost-efficiency of solving boundary-value fluid problems.

 

Recent analyses of public microbial genomes have found over a million biosynthetic gene clusters, the natural products of the majority of which remain unknown. Additionally, GNPS harbors billions of mass spectra of natural products without known structures and biosynthetic genes. We bridge the gap between large-scale genome mining and mass spectral datasets for natural product discovery by developing HypoRiPPAtlas, an Atlas of hypothetical natural product structures, which is ready-to-use for in silico database search of tandem mass spectra. HypoRiPPAtlas is constructed by mining genomes using seq2ripp, a machine-learning tool for the prediction of ribosomally synthesized and post-translationally modified peptides (RiPPs). In HypoRiPPAtlas, we identify RiPPs in microbes and plants. HypoRiPPAtlas could be extended to other natural product classes in the future by implementing corresponding biosynthetic logic. This study paves the way for large-scale explorations of biosynthetic pathways and chemical structures of microbial and plant RiPP classes.

 

This work reports a method of producing flexible cobalt nanowires (NWs) directly from the chemical conversion of bulk precursors at room temperature. Chemical reduction of Li 6 CoCl 8 produces a nanocomposite of Co and LiCl, of which the salt is subsequently removed. The dilute concentration of Co in the precursor combined with the anisotropic crystal structure of the hcp phase leads to 1D growth in the absence of any templates or additives. The Co NWs are shown to have high saturation magnetization (130.6 emu g −1 ). Our understanding of the NW formation mechanism points to new directions of scalable nanostructure generation.