diff --git a/bin/fmqa_model.py b/bin/fmqa_model.py new file mode 100755 index 0000000..7e42148 --- /dev/null +++ b/bin/fmqa_model.py @@ -0,0 +1,271 @@ +#!/usr/bin/env python3 + +import argparse +import fmqa +import math +import os +import numpy as np +import random +import re +import sys +import tempfile +import time + +from sklearn.metrics import mean_squared_error +from sklearn.metrics import r2_score + +def hour_min_sec(): + tm = time.localtime() + return (tm.tm_hour, tm.tm_min, tm.tm_sec) + +# use this instead of print to log on stderr +def log(*args, **kwargs): + hms = hour_min_sec() + print('%02d:%02d:%02d ' % hms, file=sys.stderr, end='') + return print(*args, **kwargs, file=sys.stderr) + +# transform a bitstring into a list of 0/1 +def zero_ones_from_bitstring(bs): + res = [] + for x in bs: + i = int(x) + assert(i == 0 or i == 1) + res.append(i) + return res + +# line format is supposed to be: +# ^,\n' +def parse_line(line): + split = line.split(',') + depvar = float(split[0]) + bitstring = split[1] + bits = zero_ones_from_bitstring(bitstring) + return (bits, depvar) + +def lines_of_file(fn): + with open(fn) as input: + return list(map(str.strip, input.readlines())) + +# no shuffling of the lines here +def train_test_split(train_portion, lines): + n = len(lines) + train_n = math.ceil(train_portion * n) + test_n = n - train_n + log('train/test: %d/%d' % (train_n, test_n)) + train = lines[0:train_n] + test = lines[train_n:] + assert(len(train) + len(test) == n) + return (train, test) + +# train a FMQA model +def train_regr(X_train, y_train): + xs = np.array(X_train) + ys = np.array(y_train) + model = fmqa.FMBQM.from_data(xs, ys) + # this would be if we need to update a trained model + # with new data points: model.train(xs, ys) + return model + +def test_regr(trained_model, X_test): + xs = np.array(X_test) + return trained_model.predict(xs) + +def compute_r2_rmse(actual, preds): + r2 = r2_score(actual, preds) + rmse = mean_squared_error(actual, preds, squared=False) + return (r2, rmse) + +def unzip(l): + xs = [] + ys = [] + for x, y in l: + xs.append(x) + ys.append(y) + return (xs, ys) + +# (120, 1) -> [120, 60, 30, 15, 7, 3, 1] +def exponential_scan_down(start, end): + res = [] + n = start + while n > end: + res.append(n) + n = int(n / 2) + res.append(end) + return res + +def list_take_drop(l, n): + took = l[0:n] + dropped = l[n:] + return (took, dropped) + +# cut list into several lists; for k-folds cross validation +def list_split(l, n): + x = float(len(l)) + test_n = math.ceil(x / float(n)) + # log('test_n: %d' % test_n) + res = [] + taken = [] + rest = l + for _i in range(0, n): + curr_test, curr_rest = list_take_drop(rest, test_n) + curr_train = taken + curr_rest + res.append((curr_train, curr_test)) + taken = taken + curr_test + rest = curr_rest + return res + +def append_np_array_to_list(a, l): + for x in a: + l.append(x) + return l + +def protect_underscores(s): + return re.sub("_","\_",s) + +def regr_plot(title, r2, actual, preds): + x_min = np.min(actual) + x_max = np.max(actual) + y_min = np.min(preds) + y_max = np.max(preds) + xy_min = min(x_min, y_min) + xy_max = max(x_max, y_max) + data_fn = tempfile.mktemp(prefix='fmqa_regr_data_', suffix='.txt') + with open(data_fn, 'w') as out: + for x, y in zip(actual, preds): + print('%f %f' % (x, y), file=out) + log('plot data: %s' % data_fn) + plot_fn = tempfile.mktemp(prefix='fmqa_regr_plot_', suffix='.gpl') + with open(plot_fn, 'w') as out: + print("set xlabel 'actual'", file=out) + print("set ylabel 'predicted'", file=out) + print("set xtics out nomirror", file=out) + print("set ytics out nomirror", file=out) + print("set xrange [%f:%f]" % (xy_min, xy_max), file=out) + print("set yrange [%f:%f]" % (xy_min, xy_max), file=out) + print("set key left", file=out) + print("set size square", file=out) + print("set title '%s'" % protect_underscores(title), file=out) + print("g(x) = x", file=out) + print("f(x) = a*x + b", file=out) + print("fit f(x) '%s' u 1:2 via a, b" % data_fn, file=out) + print("plot g(x) t 'perfect' lc rgb 'black', \\", file=out) + print("'%s' using 1:2 not, \\" % data_fn, file=out) + print("f(x) t 'fit'", file=out) + log('plot file: %s' % plot_fn) + cmd = "gnuplot --persist %s" % plot_fn + os.system(cmd) + +if __name__ == '__main__': + before = time.time() + # CLI options parsing + parser = argparse.ArgumentParser(description = 'train/use a RFR model') + parser.add_argument('-i', + metavar = '', type = str, + dest = 'input_fn', + help = 'input data file') + parser.add_argument('-o', + metavar = '', type = str, + dest = 'output_fn', + default = '', + help = 'predictions output file') + parser.add_argument('--save', + metavar = '', type = str, + dest = 'model_output_fn', + default = '', + help = 'trained model output file') + parser.add_argument('--load', + metavar = '', type = str, + dest = 'model_input_fn', + default = '', + help = 'trained model input file') + parser.add_argument('-s', + metavar = '', type = int, + dest = 'rng_seed', + default = -1, + help = 'RNG seed') + parser.add_argument('-np', + metavar = '', type = int, + dest = 'nprocs', + default = 1, + help = 'max number of processes') + parser.add_argument('-p', + metavar = '', type = float, + dest = 'train_p', + default = 0.8, + help = 'training set proportion') + parser.add_argument('--NxCV', + metavar = '', type = int, + dest = 'cv_folds', + default = 1, + help = 'number of cross validation folds') + # parse CLI --------------------------------------------------------- + if len(sys.argv) == 1: + # user has no clue of what to do -> usage + parser.print_help(sys.stderr) + sys.exit(1) + args = parser.parse_args() + input_fn = args.input_fn + cv_folds = args.cv_folds + train_fraction = args.train_p + rng_seed = args.rng_seed + if rng_seed != -1: + # only if the user asked for it, make experiments repeatable + random.seed(rng_seed) + # ------------------------------------------------------------------- + # load full dataset + x_list = [] + y_list = [] + n = 0 + for stripped in lines_of_file(input_fn): + bits, depvar = parse_line(stripped) + x_list.append(bits) + y_list.append(depvar) + n += 1 + x_dim = len(x_list[0]) + full_dataset = list(zip(x_list, y_list)) + random.shuffle(full_dataset) + log('(lines, cols): %d %d' % (n, x_dim)) + # train and test on the training set + # (not recommended, just basic check / optimist baseline) + trained_model = train_regr(x_list, y_list) + train_preds = test_regr(trained_model, x_list) + train_r2, train_rmse = compute_r2_rmse(y_list, train_preds) + log('(R2, RMSE)_train: %.3f %.3f' % (train_r2, train_rmse)) + if cv_folds <= 1: + log('train_fraction: %.2f' % train_fraction) + train, test = train_test_split(train_fraction, full_dataset) + train_X, train_y = unzip(train) + test_X, test_y = unzip(test) + model = train_regr(train_X, train_y) + test_preds = test_regr(model, test_X) + r2, rmse = compute_r2_rmse(test_y, test_preds) + log('(R2, RMSE)_test: %.3f %.3f' % (r2, rmse)) + title = 'FMQA p=%.2f R2=%.3f RMSE=%.3f fn=%s' % \ + (train_fraction, r2, rmse, input_fn) + regr_plot(title, r2, test_y, test_preds) + else: # cv_folds > 1 + log('NxCV: %d' % cv_folds) + truth = [] + estimate = [] + for (fold_i, (train, test)) in enumerate(list_split(full_dataset, cv_folds)): + train_X, train_y = unzip(train) + test_X, test_y = unzip(test) + append_np_array_to_list(test_y, truth) + model = train_regr(train_X, train_y) + test_preds = test_regr(model, test_X) + append_np_array_to_list(test_preds, estimate) + r2, rmse = compute_r2_rmse(test_y, test_preds) + log('fold %d (R2, RMSE)_test: %.3f %.3f' % (fold_i, r2, rmse)) + assert(len(truth) == len(estimate)) + log('len(truth) == len(estimate): %d' % len(truth)) + actual_a = np.array(truth) + preds_a = np.array(estimate) + r2, rmse = compute_r2_rmse(actual_a, preds_a) + log('global (R2, RMSE)_test: %.3f %.3f' % (r2, rmse)) + title = 'FMQA k=%d R2=%.3f RMSE=%.3f fn=%s' % \ + (cv_folds, r2, rmse, input_fn) + regr_plot(title, r2, 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