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150
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1 #!/usr/bin/env Rscript
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2
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3 suppressPackageStartupMessages(library("data.table"))
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4 suppressPackageStartupMessages(library("optparse"))
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5
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6 option_list <- list(
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7 make_option(c("--burnin_num"), action="store", dest="burnin_num", type="integer", help="Number of burnin steps"),
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8 make_option(c("--bychr"), action="store_true", dest="bychr", default=FALSE, help="Output chromosomes in separate files"),
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9 make_option(c("--hp"), action="store_true", dest="hp", default=FALSE, help="Discourage state transition across chromosomes"),
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10 make_option(c("--initial_states"), action="store", dest="initial_states", type="integer", default=NULL, help="Initial number of states"),
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11 make_option(c("--log2"), action="store", dest="log2", type="double", default=NULL, help="log2 transformation"),
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12 make_option(c("--maxerr"), action="store", dest="maxerr", type="double", default=NULL, help="Maximum standard deviation for the emission Gaussian distribution"),
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13 make_option(c("--max_cell_type_clusters"), action="store", dest="max_cell_type_clusters", type="integer", default=NULL, help="Maximum number of cell type clusters allowed"),
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14 make_option(c("--max_position_classes"), action="store", dest="max_position_classes", type="integer", default=NULL, help="Maximum number of position classes to be inferred"),
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15 make_option(c("--max_states"), action="store", dest="max_states", type="double", default=NULL, help="Maximum number of states to be inferred"),
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16 make_option(c("--mcmc_num"), action="store", dest="mcmc_num", type="integer", help="Number of maximization steps"),
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17 make_option(c("--minerr"), action="store", dest="minerr", type="double", default=NULL, help="Minimum standard deviation for the emission Gaussian distribution"),
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18 make_option(c("--norm"), action="store_true", dest="norm", default=FALSE, help="Standardize all datasets"),
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19 make_option(c("--output_log"), action="store", dest="output_log", default=NULL, help="Output log file path"),
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20 make_option(c("--output_txt_dir"), action="store", dest="output_txt_dir", help="Directory for output txt files"),
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21 make_option(c("--prep_output_config"), action="store", dest="prep_output_config", help="prepMat output config file"),
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22 make_option(c("--prior_concentration"), action="store", dest="prior_concentration", type="double", default=NULL, help="Prior concentration"),
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23 make_option(c("--project_name"), action="store", dest="project_name", help="Outputs will have this base name"),
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24 make_option(c("--rseed"), action="store", dest="rseed", type="integer", help="Seed for IDEAS model initialization"),
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25 make_option(c("--save_ideas_log"), action="store", dest="save_ideas_log", default=NULL, help="Flag to save IDEAS process log"),
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26 make_option(c("--script_dir"), action="store", dest="script_dir", help="R script source directory"),
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27 make_option(c("--thread"), action="store", dest="thread", type="integer", help="Process threads"),
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28 make_option(c("--tmp_dir"), action="store", dest="tmp_dir", help="Directory of bed files"),
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29 make_option(c("--training_iterations"), action="store", dest="training_iterations", type="integer", default=NULL, help="Number of training iterations"),
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30 make_option(c("--training_windows"), action="store", dest="training_windows", type="integer", default=NULL, help="Number of training iterations"),
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31 make_option(c("--windows_bed"), action="store", dest="windows_bed", default=NULL, help="Bed file containing bed windows"),
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32 make_option(c("--window_end"), action="store", dest="window_end", type="integer", default=NULL, help="Windows positions by chromosome end value"),
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33 make_option(c("--window_start"), action="store", dest="window_start", type="integer", default=NULL, help="Windows positions by chromosome start value")
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34 )
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35
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36 parser <- OptionParser(usage="%prog [options] file", option_list=option_list)
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37 args <- parse_args(parser, positional_arguments=TRUE)
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38 opt <- args$options
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39
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40 add_output_redirect <- function(cmd, save_ideas_log, output_log, default_log_name) {
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41 if (is.null(save_ideas_log)) {
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42 cmd = paste(cmd, "&>>", default_log_name, sep=" ");
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43 }else {
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44 cmd = paste(cmd, "&>>", output_log, sep=" ");
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45 }
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46 return(cmd);
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47 }
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48
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49 combine_state <- function(parafiles, method="ward.D", mycut=0.9, pcut=1.0) {
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50 X = NULL;
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51 K = NULL;
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52 I = NULL;
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53 myheader = NULL;
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54 p = NULL;
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55 for(i in 1:length(parafiles)) {
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56 x = fread(parafiles[i]);
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57 t = max(which(is.na(x[1,])==F));
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58 x = as.matrix(x[,1:t]);
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59 if(i==1) {
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60 myheader = colnames(x);
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61 p = sqrt(9/4-2*(1-length(myheader))) - 3 / 2;
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62 }
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63 m = match(myheader[1:p+1], colnames(x)[1:p+1]);
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64 v = NULL;
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65 for(ii in 1:p) {
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66 for(jj in 1:ii) {
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67 a = max(m[ii],m[jj]);
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68 b = min(m[ii],m[jj]);
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69 v = c(v, a*(a+1)/2+b-a);
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70 }
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71 }
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72 X = rbind(X, array(as.matrix(x[, c(1, 1+m, 1+p+v)]), dim=c(length(x) / (1+p+length(v)), 1 + p + length(v))));
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73 K = c(K, dim(x)[1]);
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74 I = c(I, rep(i, dim(x)[1]));
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75 }
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76 N = length(parafiles);
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77 p = (sqrt(1 + dim(X)[2] * 8) - 3) / 2;
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78 omycut = mycut;
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79 mycut = round(length(parafiles) * mycut);
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80 M = array(X[,1:p+1] / X[,1], dim=c(dim(X)[1], p));
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81 V = array(0, dim=c(dim(X)[1] * p, p));
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82 for(i in 1:dim(X)[1]) {
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83 t = (i - 1) * p;
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84 l = 1;
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85 for(j in 1:p) {
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86 for(k in 1:j) {
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87 V[t+j, k] = V[t+k, j] = X[i,1+p+l] / X[i,1] - M[i,j] * M[i,k];
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88 l = l + 1;
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89 }
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90 }
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91 V[t+1:p,] = t(solve(chol(V[t+1:p,] + diag(1e-1,p))));
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92 }
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93 D = array(0, dim=rep(dim(X)[1],2));
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94 for(i in 2:dim(X)[1]) {
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95 for(j in 1:(i-1)) {
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96 D[i,j] = D[j,i] = sqrt((sum((V[(i-1)*p+1:p,]%*%(M[i,]-M[j,]))^2) + sum((V[(j-1)*p+1:p,]%*%(M[i,]-M[j,]))^2)));
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97 }
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98 }
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99 MM = NULL;
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100 kk = NULL;
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101 for(i in 1:N) {
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102 t = 1:K[i];
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103 if(i > 1) {
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104 t = t + sum(K[1:(i-1)]);
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105 }
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106 t = (1:dim(D)[1])[-t];
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107 h = hclust(as.dist(D[t,t]), method=method);
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108 k = -1;
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109 tM = NULL;
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110 for(j in min(K):(min(length(t), max(K)*2))) {
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111 m = cutree(h,k=j);
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112 tt = NULL;
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113 for(l in 1:j) {
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114 tt[l] = length(unique(I[t[which(m==l)]]));
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115 }
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116 tk = length(which(tt>=mycut));
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117 if(tk > k) {
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118 k = tk;
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119 tM = make_parameter(1:j, I[t], m, mycut, X[t,]);
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120 } else if(tk < k) {
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121 break;
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122 }
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123 }
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124 kk[i] = k;
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125 MM = rbind(MM, cbind(i, tM));
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126 }
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127 mysel = median(kk);
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128 h = hclust(as.dist(D), method=method);
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129 rt = rep(0, max(K)*2);
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130 k = -1;
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131 for(i in min(K):min(dim(D)[1], max(K)*2)) {
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132 m = cutree(h,k=i);
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133 tt = NULL;
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134 for(j in 1:i) {
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135 tt[j] = length(unique(I[which(m==j)]));
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136 }
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137 tk = length(which(tt>=mycut));
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138 if(tk==mysel | tk<k) {
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139 break;
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140 }
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141 k = tk;
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142 rt[i] = length(which(tt>=mycut));
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143 }
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144 mysel = max(k,tk);
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145 m = cutree(h, k=mysel);
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146 nn = NULL;
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147 for(i in 1:mysel) {
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148 t = which(m==i);
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149 nn[i] = sum(X[t,1]);
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150 }
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151 oo = order(nn, decreasing=T);
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152 rt = make_parameter(oo, I, m, mycut, X);
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153 onstate = max(rt[,1]) + 1;
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154 ooo = NULL;
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155 for(i in oo) {
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156 t = which(m==i);
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157 if(length(unique(I[t])) >= mycut) {
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158 ooo = c(ooo, i);
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159 }
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160 }
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161 d = NULL;
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162 for(i in 1:N) {
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163 d = rbind(d, compare_two(rt, MM[MM[,1]==i,-1])[1:onstate]);
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164 }
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165 dd = array(cutree(hclust(dist(c(d))), k=2), dim=dim(d));
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166 kk = table(c(dd));
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167 kk = which(as.integer(kk)==max(as.integer(kk)))[1];
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168 pp = apply(dd, 2, function(x){length(which(x!=kk))/length(x)});
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169 pp0 = apply(d, 2, function(x){length(which(x>0.5))/length(x)});
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170 pp[pp0<pp] = pp0[pp0<pp];
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171 t = which(pp > pcut);
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172 if(length(t) > 0) {
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173 j = 0;
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174 nrt = NULL;
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175 for(i in (1:onstate-1)[-t]) {
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176 nrt = rbind(nrt, cbind(j, rt[rt[,1]==i,-1]));
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177 j = j + 1;
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178 }
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179 rt = nrt;
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180 ooo = ooo[-t];
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181 }
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182 nrt = NULL;
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183 for(i in 0:max(rt[,1])) {
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184 t = which(rt[,1]==i);
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185 nrt = rbind(nrt, apply(array(rt[t,], dim=c(length(t), dim(rt)[2])), 2, sum)[-1]);
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186 }
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187 rt = nrt;
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188 colnames(rt) = myheader;
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189 O = NULL;
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190 Ip = NULL;
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191 Xp = NULL;
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192 k = 0;
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193 for(i in 1:length(parafiles)) {
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194 str = gsub(".para", ".profile", parafiles[i]);
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195 p = as.matrix(read.table(str));
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196 u = array(0, dim=c(dim(p)[1], length(ooo)));
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197 for(j in 1:length(ooo)) {
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198 t = which(m[k+1:K[i]] == ooo[j]);
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199 u[,j] = apply(array(p[,1+t], dim=c(dim(p)[1], length(t))), 1, sum);
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200 }
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201 k = k + K[i];
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202 u = u / (apply(u, 1, sum) + 1e-10);
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203 Xp = rbind(Xp, cbind(p[,1], u));
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204 Ip = c(Ip, rep(i,dim(u)[1]));
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205 }
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206 hp = hclust(dist(((Xp[,-1]+min(1e-3, min(Xp[,-1][Xp[,-1]>0]))))), method=method);
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207 ocut = min(mycut/2, length(parafiles)/2);
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208 t = range(as.integer(table(Ip)));
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209 Kp = NULL;
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210 for(i in t[1]:(t[2]*2)) {
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211 m = cutree(hp, k=i);
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212 tt = table(Ip,m);
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213 ll = apply(tt, 2, function(x){length(which(x>0))});
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214 Kp = c(Kp, length(which(ll>=ocut)));
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215 }
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216 oN = (t[1]:(t[2]*2))[which(Kp==max(Kp))[1]];
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217 m = cutree(hp, k=oN);
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218 tt = table(Ip,m);
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219 ll = apply(tt, 2, function(x){length(which(x>0))});
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220 tt = which(ll>=ocut);
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221 for(i in tt) {
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222 t = which(m==i);
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223 O = rbind(O, c(sum(Xp[t, 1]), apply(array(Xp[t,-1]*Xp[t,1], dim=c(length(t), dim(Xp)[2]-1)), 2, sum)/sum(Xp[t, 1])));
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224 }
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225 nrt = NULL;
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226 nrt$para = rt;
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227 nrt$profile = O;
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228 return(nrt);
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229 }
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230
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231 compare_two <- function(n, m) {
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232 NN = get_mean(n);
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233 MM = get_mean(m);
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234 p = (-3 + sqrt(9 + 8 * (dim(n)[2] - 2))) / 2;
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235 dd = NULL;
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236 for (i in 1:dim(NN)[1]) {
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237 dd[i] = min(apply(array(MM[,1:p], dim=c(dim(MM)[1],p)), 1, function(x){sqrt(sum((x-NN[i,1:p])^2))}));
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238 }
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239 for (i in 1:dim(MM)[1]) {
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240 dd[i+dim(NN)[1]] = min(apply(array(NN[,1:p], dim=c(dim(NN)[1],p)), 1, function(x){sqrt(sum((x-MM[i,1:p])^2))}));
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241 }
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242 return(dd);
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243 }
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244
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245 get_mean <- function(n) {
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246 N = NULL;
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247 for(i in sort(unique(n[,1]))) {
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248 t = which(n[,1]==i);
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249 N = rbind(N, apply(array(n[t,], dim=c(length(t), dim(n)[2])), 2, sum)[-1]);
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250 }
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251 NN = N[,-1] / N[,1];
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252 return(array(NN, dim=c(length(NN)/(dim(n)[2]-2), dim(n)[2]-2)));
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253 }
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254
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255 make_parameter <- function(myorder, id, mem, mycut, para) {
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256 rt = NULL;
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257 j = 0;
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258 for(i in myorder) {
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259 t = which(mem==i);
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260 if (length(unique(id[t])) >= mycut) {
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261 rt = rbind(rt, cbind(j, array(para[t,], dim=c(length(t), dim(para)[2]))));
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262 j = j + 1;
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263 }
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264 }
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265 return(rt);
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266 }
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267
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268 run_cmd <- function(cmd, save_ideas_log, output_log, default_log_name) {
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269 cat("\n\n >>>>> cmd:\n", cmd, "\n\n");
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270 rc = system(cmd);
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271 if (rc != 0) {
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272 if (is.null(save_ideas_log)) {
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273 file.rename(default_log_name, output_log);
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274 }
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275 quit(rc);
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276 }
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277 }
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278
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279 default_log_name = "ideas_log.txt";
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280 output_base_name = opt$project_name;
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281 cmd = paste("ideas", opt$prep_output_config, sep=" ");
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282 if (!is.null(opt$windows_bed)) {
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283 cmd = paste(cmd, opt$windows_bed, sep=" ");
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284 }
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285 if (!is.null(opt$training_iterations)) {
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286 cmd = paste(cmd, "-impute none", sep=" ");
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287 }
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288 if (opt$bychr) {
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289 cmd = paste(cmd, "-bychr", sep=" ");
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290 }
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291 if (opt$hp) {
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292 cmd = paste(cmd, "-hp", sep=" ");
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293 }
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294 if (opt$norm) {
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295 cmd = paste(cmd, "-norm", sep=" ");
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296 }
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297 if (!is.null(opt$window_start) && !is.null(opt$window_end)) {
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298 cmd = paste(cmd, "-inv", opt$window_start, opt$window_end, sep=" ");
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299 }
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300 if (!is.null(opt$log2)) {
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301 cmd = paste(cmd, "-log2", opt$log2, sep=" ");
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302 }
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303 if (!is.null(opt$max_states)) {
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304 cmd = paste(cmd, "-G", opt$max_states, sep=" ");
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305 }
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306 if (!is.null(opt$initial_states)) {
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307 cmd = paste(cmd, "-C", opt$initial_states, sep=" ");
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308 }
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309 if (!is.null(opt$max_position_classes)) {
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310 cmd = paste(cmd, "-P", opt$max_position_classes, sep=" ");
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311 }
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312 if (!is.null(opt$max_cell_type_clusters)) {
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313 cmd = paste(cmd, "-K", opt$max_cell_type_clusters, sep=" ");
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314 }
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315 if (!is.null(opt$prior_concentration)) {
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316 cmd = paste(cmd, "-A", opt$prior_concentration, sep=" ");
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317 }
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318 cmd = paste(cmd, "-sample", opt$burnin_num, opt$mcmc_num, sep=" ");
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319 if (!is.null(opt$minerr)) {
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320 cmd = paste(cmd, "-minerr", opt$minerr, sep=" ");
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321 }
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322 if (!is.null(opt$maxerr)) {
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323 cmd = paste(cmd, "-maxerr", opt$maxerr, sep=" ");
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324 }
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325 cmd = paste(cmd, "-rseed", opt$rseed, sep=" ");
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326 cmd = paste(cmd, "-thread", opt$thread, sep=" ");
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327
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328 if (is.null(opt$training_iterations)) {
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329 cmd = paste(cmd, "-o", output_base_name, sep=" ");
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330 cmd = add_output_redirect(cmd, opt$save_ideas_log, opt$output_log, default_log_name);
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331 run_cmd(cmd, opt$save_ideas_log, opt$output_log, default_log_name);
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332 } else {
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333 for (i in 1:opt$training_iterations) {
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334 cmd = paste(cmd, "-o", paste(output_base_name, ".tmp.", i, sep=""), sep=" ");
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335 cmd = add_output_redirect(cmd, opt$save_ideas_log, opt$output_log, default_log_name);
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336 run_cmd(cmd, opt$save_ideas_log, opt$output_log, default_log_name);
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337 }
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338 tpara = combine_state(paste(output_base_name, ".tmp.", (1:opt$training_iterations), ".para", sep=""), mycut=0.5);
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339 para = tpara$para;
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340 write.table(tpara$profile, paste(output_base_name, ".profile0", sep=""), quote=F, row.names=F, col.names=F);
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341 para = apply(para, 1, function(x){paste(x, collapse=" ")});
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342 para = c(readLines(paste(output_base_name, ".tmp.1.para", sep=""), n=1), para);
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343 output_para0 = paste(output_base_name, ".para0", sep="");
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344 writeLines(para, output_para0);
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345 }
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