@datagrok/eda 1.4.11 → 1.4.12
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/CHANGELOG.md +7 -0
- package/README.md +8 -0
- package/css/pmpo.css +26 -0
- package/dist/package-test.js.map +1 -1
- package/dist/package.js +1 -1
- package/dist/package.js.map +1 -1
- package/eslintrc.json +46 -0
- package/files/drugs-props-test.csv +126 -0
- package/files/drugs-props-train.csv +664 -0
- package/files/mpo-done.ipynb +2123 -0
- package/package.json +3 -1
- package/src/anova/anova-tools.ts +1 -1
- package/src/anova/anova-ui.ts +1 -1
- package/src/package-api.ts +14 -0
- package/src/package.g.ts +18 -5
- package/src/package.ts +45 -14
- package/src/pareto-optimization/utils.ts +6 -4
- package/src/probabilistic-scoring/pmpo-defs.ts +108 -0
- package/src/probabilistic-scoring/pmpo-utils.ts +580 -0
- package/src/probabilistic-scoring/prob-scoring.ts +637 -0
- package/src/probabilistic-scoring/stat-tools.ts +168 -0
- package/src/softmax-classifier.ts +1 -1
- package/test-console-output-1.log +77 -47
- package/test-record-1.mp4 +0 -0
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// Probabilistic scoring (pMPO) statistical tools
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// Link: https://pmc.ncbi.nlm.nih.gov/articles/PMC4716604/
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import * as grok from 'datagrok-api/grok';
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import * as ui from 'datagrok-api/ui';
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import * as DG from 'datagrok-api/dg';
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//@ts-ignore: no types
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import * as jStat from 'jstat';
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import {Cutoff, DescriptorStatistics, SigmoidParams} from './pmpo-defs';
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const SQRT_2_PI = Math.sqrt(2 * Math.PI);
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/** Splits the dataframe into desired and non-desired tables based on the desirability column */
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export function getDesiredTables(df: DG.DataFrame, desirability: DG.Column) {
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const groups = df.groupBy([desirability.name]).getGroups() as any;
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let desired: DG.DataFrame;
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let nonDesired: DG.DataFrame;
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for (const name in groups) {
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if (name.toLowerCase().includes('true'))
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desired = groups[name];
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else
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nonDesired = groups[name];
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}
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//@ts-ignore
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return {desired, nonDesired};
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} // getDesiredTables
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/* Welch two-sample t-test (two-sided) */
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export function getDescriptorStatistics(des: DG.Column, nonDes: DG.Column): DescriptorStatistics {
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const desLen = des.length;
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const nonDesLen = nonDes.length;
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if (desLen < 2 || nonDesLen < 2) {
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throw new Error(`Failed to compute the "${des.name}" descriptor statistics:
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both samples must have at least two observations.`);
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}
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const desAvg = des.stats.avg;
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const nonDesAvg = nonDes.stats.avg;
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const desVar = des.stats.variance;
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const nonDesVar = nonDes.stats.variance;
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const desStd = des.stats.stdev;
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const nonDesStd = nonDes.stats.stdev;
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const se = Math.sqrt(desVar / desLen + nonDesVar / nonDesLen);
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if (se === 0) {
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throw new Error(`Failed to compute the "${des.name}" descriptor statistics:
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zero variance.`);
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}
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const t = (desAvg - nonDesAvg) / se;
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// Welch–Satterthwaite degrees of freedom
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const numerator = (desVar / desLen + nonDesVar / nonDesLen) ** 2;
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const denom = (desVar * desVar) / (desLen * desLen * (desLen - 1)) +
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(nonDesVar * nonDesVar) / (nonDesLen * nonDesLen * (nonDesLen - 1));
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const df = numerator / denom;
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// two-sided p-value
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const cdf = jStat.studentt.cdf(Math.abs(t), df);
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const pValue = 2 * (1 - cdf);
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return {
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desAvg: desAvg,
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desStd: desStd,
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desLen: desLen,
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nonDesAvg: nonDesAvg,
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nonDesStd: nonDesStd,
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nonSesLen: nonDesLen,
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tstat: t,
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pValue: pValue,
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};
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} // getDescriptorStatistics
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/** Compute cutoffs for the pMPO method */
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export function getCutoffs(muDesired: number, stdDesired: number, muNotDesired: number,
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stdNotDesired: number): Cutoff {
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if (muDesired < muNotDesired) {
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return {
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cutoff: ((muNotDesired - muDesired) / (stdDesired + stdNotDesired)) * stdDesired + muDesired,
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cutoffDesired: Math.max(muDesired, muNotDesired - stdNotDesired),
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cutoffNotDesired: Math.max(muDesired + stdDesired, muNotDesired),
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};
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} else {
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return {
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cutoff: ((muDesired - muNotDesired) / (stdDesired + stdNotDesired)) * stdNotDesired + muNotDesired,
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cutoffDesired: Math.min(muNotDesired + stdNotDesired, muDesired),
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cutoffNotDesired: Math.max(muNotDesired, muDesired - stdDesired),
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};
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}
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} // getCutoffs
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/** Solve normal intersection for the pMPO method */
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export function solveNormalIntersection(mu1: number, s1: number, mu2: number, s2: number): number[] {
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const a = 1 / (2 * s1 ** 2) - 1 / (2 * s2 ** 2);
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const b = mu2 / (s2 ** 2) - mu1 / (s1 ** 2);
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const c = (mu1 ** 2) / (2 * s1 ** 2) - (mu2 ** 2) / (2 * s2 ** 2) - Math.log(s2 / s1);
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// If a is nearly zero, solve linear equation
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if (Math.abs(a) < 1e-12) {
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if (Math.abs(b) < 1e-12) return [];
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return [-c / b];
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}
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const disc = b * b - 4 * a * c;
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if (disc < 0) return [];
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const sqrtDisc = Math.sqrt(disc);
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const x1 = (-b + sqrtDisc) / (2 * a);
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const x2 = (-b - sqrtDisc) / (2 * a);
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return [x1, x2];
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} // solveNormalIntersection
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/** Compute sigmoid parameters for the pMPO method */
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export function computeSigmoidParamsFromX0(muDes: number, sigmaDes: number, x0: number, xBound: number,
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qCutoff: number = 0.05): SigmoidParams {
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let pX0: number;
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if (sigmaDes <= 0)
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pX0 = x0 === muDes ? 1.0 : 0.0;
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else {
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// normal pdf
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const coef = 1 / (sigmaDes * Math.sqrt(2 * Math.PI));
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const exponent = -0.5 * ((x0 - muDes) / sigmaDes) ** 2;
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pX0 = coef * Math.exp(exponent);
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}
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const eps = 1e-12;
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pX0 = Math.max(pX0, eps);
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const b = Math.max(1.0 / pX0 - 1.0, eps);
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const n = 1.0 / qCutoff - 1.0;
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const dx = xBound - x0;
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let c: number;
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if (Math.abs(dx) < 1e-12)
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c = 1.0;
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else {
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const ratio = n / b;
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if (ratio <= 0)
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c = 1.0;
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else {
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try {
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c = Math.exp(-Math.log(ratio) / dx);
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} catch {
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c = 1.0;
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}
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}
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}
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return {pX0: pX0, b: b, c: c};
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} // computeSigmoidParamsFromX0
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/** Generalized sigmoid function */
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export function sigmoidS(x: number, x0: number, b: number, c: number): number {
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if (c > 0)
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return 1.0 / (1.0 + b * (c ** (-(x - x0))));
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return 1.0/(1.0 + b);
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}
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/** Normal probability density function */
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export function normalPdf(x: number, mu: number, sigma: number): number {
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return Math.exp(-((x - mu)**2) / (2 * sigma**2)) / (sigma * SQRT_2_PI);
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}
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/* Softmax classifier (multinomial logistic regression): https://en.wikipedia.org/wiki/Multinomial_logistic_regression */
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import * as grok from 'datagrok-api/grok';
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import * as ui from 'datagrok-api/ui';
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CONSOLE LOG ENTRY: Started Principal component analysis category
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256
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CONSOLE LOG ENTRY: O false
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257
287
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CONSOLE LOG ENTRY: Started Principal component analysis Performance: 1K rows, 5K cols, 3 components
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258
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-
CONSOLE LOG ENTRY: Finished Principal component analysis Performance: 1K rows, 5K cols, 3 components for
|
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+
CONSOLE LOG ENTRY: Finished Principal component analysis Performance: 1K rows, 5K cols, 3 components for 3725 ms
|
|
259
289
|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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260
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CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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|
261
291
|
CONSOLE LOG ENTRY: --------------------
|
|
@@ -264,7 +294,7 @@ CONSOLE LOG ENTRY: JSHandle@object
|
|
|
264
294
|
CONSOLE LOG ENTRY: Started Softmax category
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|
265
295
|
CONSOLE LOG ENTRY: O false
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266
296
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CONSOLE LOG ENTRY: Started Softmax Correctness
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|
267
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-
CONSOLE LOG ENTRY: Finished Softmax Correctness for
|
|
297
|
+
CONSOLE LOG ENTRY: Finished Softmax Correctness for 6 ms
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|
268
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|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
|
|
269
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|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
|
|
270
300
|
CONSOLE LOG ENTRY: --------------------
|
|
@@ -273,7 +303,7 @@ CONSOLE LOG ENTRY: JSHandle@object
|
|
|
273
303
|
CONSOLE LOG ENTRY: Started Softmax category
|
|
274
304
|
CONSOLE LOG ENTRY: O false
|
|
275
305
|
CONSOLE LOG ENTRY: Started Softmax Performance: 50K samples, 100 features
|
|
276
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-
CONSOLE LOG ENTRY: Finished Softmax Performance: 50K samples, 100 features for
|
|
306
|
+
CONSOLE LOG ENTRY: Finished Softmax Performance: 50K samples, 100 features for 2637 ms
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|
277
307
|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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278
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|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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|
279
309
|
CONSOLE LOG ENTRY: --------------------
|
|
@@ -282,7 +312,7 @@ CONSOLE LOG ENTRY: JSHandle@object
|
|
|
282
312
|
CONSOLE LOG ENTRY: Started XGBoost category
|
|
283
313
|
CONSOLE LOG ENTRY: O false
|
|
284
314
|
CONSOLE LOG ENTRY: Started XGBoost Correctness
|
|
285
|
-
CONSOLE LOG ENTRY: Finished XGBoost Correctness for
|
|
315
|
+
CONSOLE LOG ENTRY: Finished XGBoost Correctness for 213 ms
|
|
286
316
|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
|
|
287
317
|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
|
|
288
318
|
CONSOLE LOG ENTRY: --------------------
|
|
@@ -291,6 +321,6 @@ CONSOLE LOG ENTRY: JSHandle@object
|
|
|
291
321
|
CONSOLE LOG ENTRY: Started XGBoost category
|
|
292
322
|
CONSOLE LOG ENTRY: O false
|
|
293
323
|
CONSOLE LOG ENTRY: Started XGBoost Performance: 50K samples, 100 features
|
|
294
|
-
CONSOLE LOG ENTRY: Finished XGBoost Performance: 50K samples, 100 features for
|
|
324
|
+
CONSOLE LOG ENTRY: Finished XGBoost Performance: 50K samples, 100 features for 2233 ms
|
|
295
325
|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
|
|
296
326
|
CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
|
package/test-record-1.mp4
CHANGED
|
Binary file
|