ngboost-rs 1.1.1

Natural Gradient Boosting for Probabilistic Prediction - A Rust implementation of NGBoost
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
//! Tests for the evaluation module.

use approx::assert_relative_eq;
use ndarray::Array1;
use ngboost_rs::evaluation::{
    brier_score, calculate_calib_error, calibration_curve_data, calibration_regression,
    concordance_index, concordance_index_uncensored_only, log_loss, mean_absolute_error,
    mean_squared_error, pit_histogram, root_mean_squared_error, CalibrationResult,
};

// ============================================================================
// Calibration Error Tests
// ============================================================================

#[test]
fn test_calib_error_perfect() {
    let predicted = Array1::from_vec(vec![0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9]);
    let observed = Array1::from_vec(vec![0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9]);

    let error = calculate_calib_error(&predicted, &observed);
    assert_relative_eq!(error, 0.0, epsilon = 1e-10);
}

#[test]
fn test_calib_error_constant_offset() {
    let predicted = Array1::from_vec(vec![0.1, 0.2, 0.3, 0.4, 0.5]);
    let observed = Array1::from_vec(vec![0.2, 0.3, 0.4, 0.5, 0.6]);

    // Each difference is 0.1, so squared is 0.01, mean is 0.01
    let error = calculate_calib_error(&predicted, &observed);
    assert_relative_eq!(error, 0.01, epsilon = 1e-10);
}

#[test]
fn test_calib_error_empty() {
    let predicted = Array1::from_vec(vec![]);
    let observed = Array1::from_vec(vec![]);

    let error = calculate_calib_error(&predicted, &observed);
    assert_relative_eq!(error, 0.0, epsilon = 1e-10);
}

// ============================================================================
// Calibration Regression Tests
// ============================================================================

#[test]
fn test_calibration_regression_well_calibrated() {
    // For a well-calibrated model, ppf(q) should give quantiles such that
    // proportion of y < ppf(q) ≈ q

    // Create simple "perfect calibration" scenario
    let y = Array1::from_vec(vec![0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0]);

    // PPF function that returns uniform quantiles
    let ppf_fn = |q: f64| -> Array1<f64> {
        // For uniform distribution on [0, 10), ppf(q) = 10*q
        Array1::from_elem(y.len(), 10.0 * q)
    };

    let result = calibration_regression(ppf_fn, &y, 11, 1e-3);

    // For well-calibrated model, slope should be close to 1
    assert!(result.slope > 0.8 && result.slope < 1.2);
    // Intercept should be close to 0
    assert!(result.intercept.abs() < 0.2);
}

#[test]
fn test_calibration_result_methods() {
    let result = CalibrationResult {
        predicted: Array1::from_vec(vec![0.1, 0.5, 0.9]),
        observed: Array1::from_vec(vec![0.1, 0.5, 0.9]),
        slope: 1.0,
        intercept: 0.0,
    };

    assert!(result.is_well_calibrated(0.1, 0.1));
    assert_relative_eq!(result.calibration_error(), 0.0, epsilon = 1e-10);
}

#[test]
fn test_calibration_result_poorly_calibrated() {
    let result = CalibrationResult {
        predicted: Array1::from_vec(vec![0.1, 0.5, 0.9]),
        observed: Array1::from_vec(vec![0.3, 0.5, 0.7]),
        slope: 0.5,
        intercept: 0.25,
    };

    assert!(!result.is_well_calibrated(0.1, 0.1));
}

// ============================================================================
// Concordance Index Tests
// ============================================================================

#[test]
fn test_concordance_perfect() {
    // Perfect concordance: predictions perfectly rank the true times
    let predictions = Array1::from_vec(vec![5.0, 4.0, 3.0, 2.0, 1.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let events = Array1::from_vec(vec![true, true, true, true, true]);

    let c_index = concordance_index(&predictions, &times, &events);
    assert_relative_eq!(c_index, 1.0, epsilon = 1e-10);
}

#[test]
fn test_concordance_inverse() {
    // Inverse concordance: predictions are opposite of true times
    let predictions = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let events = Array1::from_vec(vec![true, true, true, true, true]);

    let c_index = concordance_index(&predictions, &times, &events);
    assert_relative_eq!(c_index, 0.0, epsilon = 1e-10);
}

#[test]
fn test_concordance_random() {
    // Random/tied predictions should give ~0.5
    let predictions = Array1::from_vec(vec![1.0, 1.0, 1.0, 1.0, 1.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let events = Array1::from_vec(vec![true, true, true, true, true]);

    let c_index = concordance_index(&predictions, &times, &events);
    assert_relative_eq!(c_index, 0.5, epsilon = 1e-10);
}

#[test]
fn test_concordance_with_censoring() {
    // Test with censored observations
    // (time=1, event) vs (time=3, censored) - comparable: event time < censoring time
    // (time=2, censored) vs (time=1, event) - comparable: censoring time > event time
    let predictions = Array1::from_vec(vec![3.0, 2.0, 1.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0]);
    let events = Array1::from_vec(vec![true, false, true]);

    let c_index = concordance_index(&predictions, &times, &events);
    // Should be between 0 and 1, and finite
    assert!(c_index >= 0.0 && c_index <= 1.0);
    assert!(c_index.is_finite());
}

#[test]
fn test_concordance_all_censored() {
    // All censored - no comparable pairs
    let predictions = Array1::from_vec(vec![1.0, 2.0, 3.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0]);
    let events = Array1::from_vec(vec![false, false, false]);

    let c_index = concordance_index(&predictions, &times, &events);
    // No comparable pairs, should return 0.5
    assert_relative_eq!(c_index, 0.5, epsilon = 1e-10);
}

#[test]
fn test_concordance_uncensored_only() {
    let predictions = Array1::from_vec(vec![5.0, 4.0, 3.0, 2.0, 1.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let events = Array1::from_vec(vec![true, false, true, false, true]);

    let c_index = concordance_index_uncensored_only(&predictions, &times, &events);
    // Only uncensored: times [1, 3, 5] with predictions [5, 3, 1]
    // Perfect concordance for uncensored only
    assert_relative_eq!(c_index, 1.0, epsilon = 1e-10);
}

#[test]
fn test_concordance_single_observation() {
    let predictions = Array1::from_vec(vec![1.0]);
    let times = Array1::from_vec(vec![1.0]);
    let events = Array1::from_vec(vec![true]);

    // With only one observation, no comparable pairs
    let c_index = concordance_index(&predictions, &times, &events);
    assert_relative_eq!(c_index, 0.5, epsilon = 1e-10);
}

// ============================================================================
// Brier Score Tests
// ============================================================================

#[test]
fn test_brier_score_perfect() {
    let predicted = Array1::from_vec(vec![1.0, 0.0, 1.0, 0.0]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0, 1.0, 0.0]);

    let score = brier_score(&predicted, &outcomes);
    assert_relative_eq!(score, 0.0, epsilon = 1e-10);
}

#[test]
fn test_brier_score_worst() {
    let predicted = Array1::from_vec(vec![0.0, 1.0, 0.0, 1.0]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0, 1.0, 0.0]);

    let score = brier_score(&predicted, &outcomes);
    assert_relative_eq!(score, 1.0, epsilon = 1e-10);
}

#[test]
fn test_brier_score_uncertain() {
    // 50% probability for all outcomes
    let predicted = Array1::from_vec(vec![0.5, 0.5, 0.5, 0.5]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0, 1.0, 0.0]);

    let score = brier_score(&predicted, &outcomes);
    // (0.5-1)^2 + (0.5-0)^2 + ... = 4 * 0.25 / 4 = 0.25
    assert_relative_eq!(score, 0.25, epsilon = 1e-10);
}

#[test]
fn test_brier_score_empty() {
    let predicted = Array1::from_vec(vec![]);
    let outcomes = Array1::from_vec(vec![]);

    let score = brier_score(&predicted, &outcomes);
    assert_relative_eq!(score, 0.0, epsilon = 1e-10);
}

// ============================================================================
// Log Loss Tests
// ============================================================================

#[test]
fn test_log_loss_confident_correct() {
    let predicted = Array1::from_vec(vec![0.99, 0.01]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0]);

    let loss = log_loss(&predicted, &outcomes, 1e-15);
    // Should be close to 0 for confident correct predictions
    assert!(loss < 0.05);
}

#[test]
fn test_log_loss_confident_wrong() {
    let predicted = Array1::from_vec(vec![0.01, 0.99]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0]);

    let loss = log_loss(&predicted, &outcomes, 1e-15);
    // Should be large for confident wrong predictions
    assert!(loss > 2.0);
}

#[test]
fn test_log_loss_uncertain() {
    let predicted = Array1::from_vec(vec![0.5, 0.5]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0]);

    let loss = log_loss(&predicted, &outcomes, 1e-15);
    // -ln(0.5) ≈ 0.693
    assert_relative_eq!(loss, std::f64::consts::LN_2, epsilon = 1e-6);
}

#[test]
fn test_log_loss_clamping() {
    // Test that extreme probabilities are clamped
    let predicted = Array1::from_vec(vec![0.0, 1.0]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0]);

    let loss = log_loss(&predicted, &outcomes, 1e-15);
    // Should be finite due to clamping
    assert!(loss.is_finite());
}

// ============================================================================
// MSE, MAE, RMSE Tests
// ============================================================================

#[test]
fn test_mse_perfect() {
    let predicted = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let actual = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);

    let mse = mean_squared_error(&predicted, &actual);
    assert_relative_eq!(mse, 0.0, epsilon = 1e-10);
}

#[test]
fn test_mse_constant_error() {
    let predicted = Array1::from_vec(vec![1.0, 2.0, 3.0]);
    let actual = Array1::from_vec(vec![2.0, 3.0, 4.0]);

    // Each error is 1, squared is 1, mean is 1
    let mse = mean_squared_error(&predicted, &actual);
    assert_relative_eq!(mse, 1.0, epsilon = 1e-10);
}

#[test]
fn test_mae_perfect() {
    let predicted = Array1::from_vec(vec![1.0, 2.0, 3.0]);
    let actual = Array1::from_vec(vec![1.0, 2.0, 3.0]);

    let mae = mean_absolute_error(&predicted, &actual);
    assert_relative_eq!(mae, 0.0, epsilon = 1e-10);
}

#[test]
fn test_mae_constant_error() {
    let predicted = Array1::from_vec(vec![1.0, 2.0, 3.0]);
    let actual = Array1::from_vec(vec![2.0, 3.0, 4.0]);

    let mae = mean_absolute_error(&predicted, &actual);
    assert_relative_eq!(mae, 1.0, epsilon = 1e-10);
}

#[test]
fn test_rmse_is_sqrt_mse() {
    let predicted = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0]);
    let actual = Array1::from_vec(vec![2.0, 3.0, 4.0, 5.0]);

    let mse = mean_squared_error(&predicted, &actual);
    let rmse = root_mean_squared_error(&predicted, &actual);

    assert_relative_eq!(rmse, mse.sqrt(), epsilon = 1e-10);
}

#[test]
fn test_errors_empty() {
    let predicted = Array1::from_vec(vec![]);
    let actual = Array1::from_vec(vec![]);

    assert_relative_eq!(
        mean_squared_error(&predicted, &actual),
        0.0,
        epsilon = 1e-10
    );
    assert_relative_eq!(
        mean_absolute_error(&predicted, &actual),
        0.0,
        epsilon = 1e-10
    );
    assert_relative_eq!(
        root_mean_squared_error(&predicted, &actual),
        0.0,
        epsilon = 1e-10
    );
}

// ============================================================================
// PIT Histogram Tests
// ============================================================================

#[test]
fn test_pit_histogram_uniform() {
    // For well-calibrated predictions, PIT values should be uniform
    let cdf_values = Array1::from_vec(vec![
        0.05, 0.15, 0.25, 0.35, 0.45, 0.55, 0.65, 0.75, 0.85, 0.95,
    ]);

    let result = pit_histogram(&cdf_values, 10);

    // Each bin should have 1 observation, so density = 1
    assert_eq!(result.densities.len(), 10);
    for density in result.densities.iter() {
        assert_relative_eq!(*density, 1.0, epsilon = 1e-10);
    }
    assert_relative_eq!(result.expected_density, 1.0, epsilon = 1e-10);
}

#[test]
fn test_pit_histogram_concentrated() {
    // All predictions in first bin
    let cdf_values = Array1::from_vec(vec![0.01, 0.02, 0.03, 0.04, 0.05]);

    let result = pit_histogram(&cdf_values, 10);

    // First bin should have all 5 observations
    assert_relative_eq!(result.densities[0], 10.0, epsilon = 1e-10);
    // Other bins should be empty
    for i in 1..result.densities.len() {
        assert_relative_eq!(result.densities[i], 0.0, epsilon = 1e-10);
    }
}

#[test]
fn test_pit_histogram_bin_edges() {
    let cdf_values = Array1::from_vec(vec![0.5]);
    let result = pit_histogram(&cdf_values, 10);

    // Should have n_bins + 1 edges
    assert_eq!(result.bin_edges.len(), 11);

    // First edge should be 0, last should be 1
    assert_relative_eq!(result.bin_edges[0], 0.0, epsilon = 1e-10);
    assert_relative_eq!(result.bin_edges[10], 1.0, epsilon = 1e-10);
}

// ============================================================================
// Calibration Curve Data Tests
// ============================================================================

#[test]
fn test_calibration_curve_data() {
    let predicted = Array1::from_vec(vec![0.1, 0.3, 0.5, 0.7, 0.9]);
    let observed = Array1::from_vec(vec![0.15, 0.35, 0.45, 0.75, 0.85]);

    let data = calibration_curve_data(&predicted, &observed);

    // Check that fit line is computed
    assert!(data.slope.is_finite());
    assert!(data.intercept.is_finite());

    // Check that fit_x and fit_y have same length
    assert_eq!(data.fit_x.len(), data.fit_y.len());

    // Check that original data is preserved
    assert_eq!(data.predicted.len(), 5);
    assert_eq!(data.observed.len(), 5);
}

#[test]
fn test_calibration_curve_perfect_calibration() {
    let predicted = Array1::from_vec(vec![0.0, 0.25, 0.5, 0.75, 1.0]);
    let observed = Array1::from_vec(vec![0.0, 0.25, 0.5, 0.75, 1.0]);

    let data = calibration_curve_data(&predicted, &observed);

    // Perfect calibration: slope ≈ 1, intercept ≈ 0
    assert_relative_eq!(data.slope, 1.0, epsilon = 1e-10);
    assert_relative_eq!(data.intercept, 0.0, epsilon = 1e-10);
}

// ============================================================================
// Integration Tests
// ============================================================================

#[test]
fn test_metrics_ordering() {
    // Better predictions should have better scores

    // Good predictions
    let good_pred = Array1::from_vec(vec![0.9, 0.1, 0.8, 0.2]);
    let outcomes = Array1::from_vec(vec![1.0, 0.0, 1.0, 0.0]);

    // Bad predictions
    let bad_pred = Array1::from_vec(vec![0.5, 0.5, 0.5, 0.5]);

    let good_brier = brier_score(&good_pred, &outcomes);
    let bad_brier = brier_score(&bad_pred, &outcomes);

    let good_log = log_loss(&good_pred, &outcomes, 1e-15);
    let bad_log = log_loss(&bad_pred, &outcomes, 1e-15);

    // Good predictions should have lower scores
    assert!(good_brier < bad_brier);
    assert!(good_log < bad_log);
}

#[test]
fn test_concordance_consistency() {
    // concordance_index should be >= concordance_index_uncensored_only
    // when there are censored observations (not always true, but often)
    let predictions = Array1::from_vec(vec![5.0, 4.0, 3.0, 2.0, 1.0]);
    let times = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
    let events = Array1::from_vec(vec![true, true, true, true, true]);

    let c_full = concordance_index(&predictions, &times, &events);
    let c_uncensored = concordance_index_uncensored_only(&predictions, &times, &events);

    // Both should be 1.0 for this perfect case
    assert_relative_eq!(c_full, c_uncensored, epsilon = 1e-10);
}

#[test]
fn test_real_world_scenario() {
    // Simulate a realistic survival analysis scenario
    let predictions = Array1::from_vec(vec![0.8, 0.7, 0.6, 0.5, 0.4, 0.3, 0.2, 0.1, 0.9, 0.35]);
    let times = Array1::from_vec(vec![2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 1.0, 5.5]);
    let events = Array1::from_vec(vec![
        true, true, false, true, true, false, true, true, true, false,
    ]);

    let c_index = concordance_index(&predictions, &times, &events);

    // Should be between 0 and 1
    assert!(c_index >= 0.0 && c_index <= 1.0);
    // Should be reasonably good (>0.5) since predictions roughly follow time ordering
    assert!(c_index > 0.5);
}