DETERMINING A DISTRIBUTION OF ATOM COORDINATES OF A MACROMOLECULE FROM IMAGES USING AUTO-ENCODERS

    公开(公告)号:US20220415453A1

    公开(公告)日:2022-12-29

    申请号:US17849269

    申请日:2022-06-24

    Abstract: Methods, systems and apparatus, including computer programs encoded on computer storage media. One of the methods includes obtaining a plurality of images of a macromolecule having a plurality of atoms, training a decoder neural network on the plurality of images, and after the training, generating a plurality of conformations for at least a portion of the macromolecule that each include respective three-dimensional coordinates of each of the plurality of atoms, wherein generating each conformation includes sampling a conformation latent representation from a prior distribution over conformation latent representations, processing a respective input including the sampled conformation latent representation using the decoder neural network to generate a conformation output that specifies three-dimensional coordinates of each of the plurality of atoms for the conformation, and generating the conformation from the conformation output.

    PREDICTING PROTEIN STRUCTURES USING AUXILIARY FOLDING NETWORKS

    公开(公告)号:US20230395186A1

    公开(公告)日:2023-12-07

    申请号:US18034006

    申请日:2021-11-23

    CPC classification number: G16B15/20 G16B15/30 G06N3/08 G16B40/20

    Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for training a structure prediction neural network that comprises an embedding neural network and a main folding neural network. According to one aspect, a method comprises: obtaining a training network input characterizing a training protein; processing the training network input using the embedding neural network and the main folding neural network to generate a main structure prediction; for each auxiliary folding neural network in a set of one or more auxiliary folding neural networks, processing at least a corresponding intermediate output of the embedding neural network to generate an auxiliary structure prediction; determining a gradient of an objective function that includes a respective auxiliary structure loss term for each of the auxiliary folding neural networks; and updating the current values of the embedding network parameters and the main folding parameters based on the gradient.

    Sampling latent variables to generate multiple segmentations of an image

    公开(公告)号:US11430123B2

    公开(公告)日:2022-08-30

    申请号:US16881775

    申请日:2020-05-22

    Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for generating a plurality of possible segmentations of an image. In one aspect, a method comprises: receiving a request to generate a plurality of possible segmentations of an image; sampling a plurality of latent variables from a latent space, wherein each latent variable is sampled from the latent space in accordance with a respective probability distribution over the latent space that is determined based on the image; generating a plurality of possible segmentations of the image, comprising, for each latent variable, processing the image and the latent variable using a segmentation neural network having a plurality of segmentation neural network parameters to generate the possible segmentation of the image; and providing the plurality of possible segmentations of the image in response to the request.

    SAMPLING LATENT VARIABLES TO GENERATE MULTIPLE SEGMENTATIONS OF AN IMAGE

    公开(公告)号:US20200372654A1

    公开(公告)日:2020-11-26

    申请号:US16881775

    申请日:2020-05-22

    Abstract: Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for generating a plurality of possible segmentations of an image. In one aspect, a method comprises: receiving a request to generate a plurality of possible segmentations of an image; sampling a plurality of latent variables from a latent space, wherein each latent variable is sampled from the latent space in accordance with a respective probability distribution over the latent space that is determined based on the image; generating a plurality of possible segmentations of the image, comprising, for each latent variable, processing the image and the latent variable using a segmentation neural network having a plurality of segmentation neural network parameters to generate the possible segmentation of the image; and providing the plurality of possible segmentations of the image in response to the request.

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