コード例 #1
0
ファイル: analyze.py プロジェクト: xzhao-ai/cryodrgn
def analyze_zN(z, outdir, vg, skip_umap=False):
    zdim = z.shape[1]

    # Principal component analysis
    log('Perfoming principal component analysis...')
    pc, pca = analysis.run_pca(z)
    start, end = np.percentile(pc[:,0],(5,95))
    z_pc1 = analysis.get_pc_traj(pca, z.shape[1], 10, 1, start, end)
    start, end = np.percentile(pc[:,1],(5,95))
    z_pc2 = analysis.get_pc_traj(pca, z.shape[1], 10, 2, start, end)

    # kmeans clustering
    log('K-means clustering...')
    K = 20
    kmeans_labels, centers = analysis.cluster_kmeans(z, K)
    centers, centers_ind = analysis.get_nearest_point(z, centers)
    if not os.path.exists(f'{outdir}/kmeans20'): 
        os.mkdir(f'{outdir}/kmeans20')
    utils.save_pkl(kmeans_labels, f'{outdir}/kmeans20/labels.pkl')
    np.savetxt(f'{outdir}/kmeans20/centers.txt', centers)
    np.savetxt(f'{outdir}/kmeans20/centers_ind.txt', centers_ind, fmt='%d')

    # Generate volumes
    log('Generating volumes...')
    vg.gen_volumes(f'{outdir}/pc1', z_pc1)
    vg.gen_volumes(f'{outdir}/pc2', z_pc2)
    vg.gen_volumes(f'{outdir}/kmeans20', centers)

    # UMAP -- slow step
    if zdim > 2 and not skip_umap:
        log('Running UMAP...')
        umap_emb = analysis.run_umap(z)
        utils.save_pkl(umap_emb, f'{outdir}/umap.pkl')

    # Make some plots
    log('Generating plots...')
    plt.figure(1)
    plt.scatter(pc[:,0], pc[:,1], alpha=.1, s=2)
    plt.xlabel('PC1')
    plt.ylabel('PC2')
    plt.savefig(f'{outdir}/z_pca.png')
    
    if zdim > 2 and not skip_umap:
        plt.figure(2)
        plt.scatter(umap_emb[:,0], umap_emb[:,1], alpha=.1, s=2)
        plt.xlabel('UMAP1')
        plt.ylabel('UMAP2')
        plt.savefig(f'{outdir}/umap.png')

    analysis.plot_by_cluster(pc[:,0], pc[:,1], K, kmeans_labels, centers_ind=centers_ind, annotate=True)
    plt.xlabel('PC1')
    plt.ylabel('PC2')
    plt.savefig(f'{outdir}/kmeans20/z_pca.png')

    if zdim > 2 and not skip_umap:
        analysis.plot_by_cluster(umap_emb[:,0], umap_emb[:,1], K, kmeans_labels, centers_ind=centers_ind, annotate=True)
        plt.xlabel('UMAP1')
        plt.ylabel('UMAP2')
        plt.savefig(f'{outdir}/kmeans20/umap.png')
コード例 #2
0
ファイル: analyze.py プロジェクト: kttn8769/cryodrgn
def analyze_zN(z, outdir, vg, skip_umap=False, num_pcs=2, num_ksamples=20):
    zdim = z.shape[1]

    # Principal component analysis
    log('Perfoming principal component analysis...')
    pc, pca = analysis.run_pca(z)
    log('Generating volumes...')
    for i in range(num_pcs):
        start, end = np.percentile(pc[:, i], (5, 95))
        z_pc = analysis.get_pc_traj(pca, z.shape[1], 10, i + 1, start, end)
        vg.gen_volumes(f'{outdir}/pc{i+1}', z_pc)

    # kmeans clustering
    log('K-means clustering...')
    K = num_ksamples
    kmeans_labels, centers = analysis.cluster_kmeans(z, K)
    centers, centers_ind = analysis.get_nearest_point(z, centers)
    if not os.path.exists(f'{outdir}/kmeans{K}'):
        os.mkdir(f'{outdir}/kmeans{K}')
    utils.save_pkl(kmeans_labels, f'{outdir}/kmeans{K}/labels.pkl')
    np.savetxt(f'{outdir}/kmeans{K}/centers.txt', centers)
    np.savetxt(f'{outdir}/kmeans{K}/centers_ind.txt', centers_ind, fmt='%d')
    log('Generating volumes...')
    vg.gen_volumes(f'{outdir}/kmeans{K}', centers)

    # UMAP -- slow step
    if zdim > 2 and not skip_umap:
        log('Running UMAP...')
        umap_emb = analysis.run_umap(z)
        utils.save_pkl(umap_emb, f'{outdir}/umap.pkl')

    # Make some plots
    log('Generating plots...')
    plt.figure(1)
    g = sns.jointplot(x=pc[:, 0], y=pc[:, 1], alpha=.1, s=2)
    g.set_axis_labels('PC1', 'PC2')
    plt.tight_layout()
    plt.savefig(f'{outdir}/z_pca.png')

    plt.figure(2)
    g = sns.jointplot(x=pc[:, 0], y=pc[:, 1], kind='hex')
    g.set_axis_labels('PC1', 'PC2')
    plt.tight_layout()
    plt.savefig(f'{outdir}/z_pca_hexbin.png')

    if zdim > 2 and not skip_umap:
        plt.figure(3)
        g = sns.jointplot(x=umap_emb[:, 0], y=umap_emb[:, 1], alpha=.1, s=2)
        g.set_axis_labels('UMAP1', 'UMAP2')
        plt.tight_layout()
        plt.savefig(f'{outdir}/umap.png')

        plt.figure(4)
        g = sns.jointplot(x=umap_emb[:, 0], y=umap_emb[:, 1], kind='hex')
        g.set_axis_labels('UMAP1', 'UMAP2')
        plt.tight_layout()
        plt.savefig(f'{outdir}/umap_hexbin.png')

    analysis.scatter_annotate(pc[:, 0],
                              pc[:, 1],
                              centers_ind=centers_ind,
                              annotate=True)
    plt.xlabel('PC1')
    plt.ylabel('PC2')
    plt.savefig(f'{outdir}/kmeans{K}/z_pca.png')

    g = analysis.scatter_annotate_hex(pc[:, 0],
                                      pc[:, 1],
                                      centers_ind=centers_ind,
                                      annotate=True)
    g.set_axis_labels('PC1', 'PC2')
    plt.tight_layout()
    plt.savefig(f'{outdir}/kmeans{K}/z_pca_hex.png')

    if zdim > 2 and not skip_umap:
        analysis.scatter_annotate(umap_emb[:, 0],
                                  umap_emb[:, 1],
                                  centers_ind=centers_ind,
                                  annotate=True)
        plt.xlabel('UMAP1')
        plt.ylabel('UMAP2')
        plt.savefig(f'{outdir}/kmeans{K}/umap.png')

        g = analysis.scatter_annotate_hex(umap_emb[:, 0],
                                          umap_emb[:, 1],
                                          centers_ind=centers_ind,
                                          annotate=True)
        g.set_axis_labels('UMAP1', 'UMAP2')
        plt.tight_layout()
        plt.savefig(f'{outdir}/kmeans{K}/umap_hex.png')

    for i in range(num_pcs):
        if not skip_umap:
            analysis.scatter_color(umap_emb[:, 0],
                                   umap_emb[:, 1],
                                   pc[:, i],
                                   label=f'PC{i+1}')
            plt.xlabel('UMAP1')
            plt.ylabel('UMAP2')
            plt.tight_layout()
            plt.savefig(f'{outdir}/pc{i+1}/umap.png')