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scirs2_metrics/
bayesian.rs

1//! Bayesian evaluation metrics
2//!
3//! This module provides Bayesian approaches to model evaluation and comparison,
4//! including Bayes factors, information criteria, posterior predictive checks,
5//! and Bayesian model averaging metrics.
6
7use crate::error::{MetricsError, Result};
8use scirs2_core::ndarray::ArrayStatCompat;
9use scirs2_core::ndarray::{Array1, Array2, Axis};
10use statrs::statistics::Statistics;
11
12/// Results from Bayesian model comparison
13#[derive(Debug, Clone)]
14pub struct BayesianComparisonResults {
15    /// Bayes factor comparing model A to model B (BF_AB)
16    pub bayes_factor: f64,
17    /// Log Bayes factor for numerical stability
18    pub log_bayes_factor: f64,
19    /// Evidence for model A (marginal likelihood)
20    pub evidence_a: f64,
21    /// Evidence for model B (marginal likelihood)
22    pub evidence_b: f64,
23    /// Interpretation of the Bayes factor strength
24    pub interpretation: String,
25}
26
27/// Results from Bayesian information criteria evaluation
28#[derive(Debug, Clone)]
29pub struct BayesianInformationResults {
30    /// Bayesian Information Criterion
31    pub bic: f64,
32    /// Widely Applicable Information Criterion
33    pub waic: f64,
34    /// Leave-One-Out Cross-Validation score
35    pub loo_cv: f64,
36    /// Deviance Information Criterion
37    pub dic: f64,
38    /// Effective number of parameters (from WAIC)
39    pub p_waic: f64,
40    /// Model comparison ranking (lower is better)
41    pub model_rank: usize,
42}
43
44/// Results from posterior predictive checks
45#[derive(Debug, Clone)]
46pub struct PosteriorPredictiveResults {
47    /// Bayesian p-value for model adequacy
48    pub bayesian_p_value: f64,
49    /// Test statistic value for observed data
50    pub observed_statistic: f64,
51    /// Mean test statistic from posterior predictive samples
52    pub predicted_statistic_mean: f64,
53    /// Standard deviation of test statistic from posterior predictive samples
54    pub predicted_statistic_std: f64,
55    /// Tail probability (two-sided)
56    pub tail_probability: f64,
57    /// Whether model is adequate (p-value in reasonable range)
58    pub model_adequate: bool,
59}
60
61/// Results from Bayesian credible interval analysis
62#[derive(Debug, Clone)]
63pub struct CredibleIntervalResults {
64    /// Lower bound of credible interval
65    pub lower_bound: f64,
66    /// Upper bound of credible interval
67    pub upper_bound: f64,
68    /// Credible level (e.g., 0.95 for 95% CI)
69    pub credible_level: f64,
70    /// Posterior mean
71    pub posterior_mean: f64,
72    /// Posterior median
73    pub posterior_median: f64,
74    /// Whether null hypothesis value is contained in interval
75    pub contains_null: bool,
76    /// Highest Posterior Density interval
77    pub hpd_interval: (f64, f64),
78}
79
80/// Results from Bayesian model averaging
81#[derive(Debug, Clone)]
82pub struct BayesianModelAveragingResults {
83    /// Weighted average prediction using model weights
84    pub averaged_prediction: Array1<f64>,
85    /// Model weights based on evidence/information criteria
86    pub model_weights: Array1<f64>,
87    /// Individual model predictions
88    pub individual_predictions: Array2<f64>,
89    /// Model uncertainty (variance across models)
90    pub model_uncertainty: Array1<f64>,
91    /// Total predictive variance (within + between model)
92    pub total_variance: Array1<f64>,
93}
94
95/// Bayesian model comparison calculator
96pub struct BayesianModelComparison {
97    /// Method for estimating marginal likelihoods
98    evidence_method: EvidenceMethod,
99    /// Number of samples for integration methods
100    num_samples: usize,
101}
102
103/// Methods for estimating model evidence (marginal likelihood)
104#[derive(Debug, Clone, Copy)]
105pub enum EvidenceMethod {
106    /// Harmonic mean estimator (less accurate but fast)
107    HarmonicMean,
108    /// Thermodynamic integration
109    ThermodynamicIntegration,
110    /// Bridge sampling
111    BridgeSampling,
112    /// Nested sampling approximation
113    NestedSampling,
114}
115
116impl Default for BayesianModelComparison {
117    fn default() -> Self {
118        Self::new()
119    }
120}
121
122impl BayesianModelComparison {
123    /// Create new Bayesian model comparison calculator
124    pub fn new() -> Self {
125        Self {
126            evidence_method: EvidenceMethod::HarmonicMean,
127            num_samples: 1000,
128        }
129    }
130
131    /// Set evidence estimation method
132    pub fn with_evidence_method(mut self, method: EvidenceMethod) -> Self {
133        self.evidence_method = method;
134        self
135    }
136
137    /// Set number of samples for integration
138    pub fn with_num_samples(mut self, numsamples: usize) -> Self {
139        self.num_samples = numsamples;
140        self
141    }
142
143    /// Compare two models using Bayes factors
144    pub fn compare_models(
145        &self,
146        log_likelihood_a: &Array1<f64>,
147        log_likelihood_b: &Array1<f64>,
148        log_prior_a: Option<&Array1<f64>>,
149        log_prior_b: Option<&Array1<f64>>,
150    ) -> Result<BayesianComparisonResults> {
151        if log_likelihood_a.len() != log_likelihood_b.len() {
152            return Err(MetricsError::InvalidInput(
153                "Likelihood arrays must have same length".to_string(),
154            ));
155        }
156
157        // Estimate marginal likelihoods (evidence)
158        let evidence_a = self.estimate_evidence(log_likelihood_a, log_prior_a)?;
159        let evidence_b = self.estimate_evidence(log_likelihood_b, log_prior_b)?;
160
161        // Calculate Bayes factor
162        let log_bayes_factor = evidence_a - evidence_b;
163        let bayes_factor = log_bayes_factor.exp();
164
165        // Interpret Bayes factor strength (Jeffreys' scale)
166        let interpretation = Self::interpret_bayes_factor(bayes_factor);
167
168        Ok(BayesianComparisonResults {
169            bayes_factor,
170            log_bayes_factor,
171            evidence_a,
172            evidence_b,
173            interpretation,
174        })
175    }
176
177    /// Estimate model evidence using specified method
178    fn estimate_evidence(
179        &self,
180        log_likelihood: &Array1<f64>,
181        logprior: Option<&Array1<f64>>,
182    ) -> Result<f64> {
183        match self.evidence_method {
184            EvidenceMethod::HarmonicMean => self.harmonic_mean_evidence(log_likelihood, logprior),
185            EvidenceMethod::ThermodynamicIntegration => {
186                self.thermodynamic_integration_evidence(log_likelihood, logprior)
187            }
188            EvidenceMethod::BridgeSampling => {
189                self.bridge_sampling_evidence(log_likelihood, logprior)
190            }
191            EvidenceMethod::NestedSampling => {
192                self.nested_sampling_evidence(log_likelihood, logprior)
193            }
194        }
195    }
196
197    /// Harmonic mean estimator for marginal likelihood
198    fn harmonic_mean_evidence(
199        &self,
200        log_likelihood: &Array1<f64>,
201        logprior: Option<&Array1<f64>>,
202    ) -> Result<f64> {
203        if log_likelihood.is_empty() {
204            return Err(MetricsError::InvalidInput(
205                "Empty _likelihood array".to_string(),
206            ));
207        }
208
209        // Calculate log(_prior * likelihood) for each sample
210        let log_posterior: Array1<f64> = if let Some(prior) = logprior {
211            if prior.len() != log_likelihood.len() {
212                return Err(MetricsError::InvalidInput(
213                    "Prior and _likelihood arrays must have same length".to_string(),
214                ));
215            }
216            log_likelihood + prior
217        } else {
218            log_likelihood.clone()
219        };
220
221        // Harmonic mean: 1/E[1/L] where L is _likelihood
222        // In log space: -log(mean(exp(-log_posterior)))
223        let max_log_posterior = log_posterior
224            .iter()
225            .fold(f64::NEG_INFINITY, |a, &b| a.max(b));
226
227        let sum_inv_exp: f64 = log_posterior
228            .iter()
229            .map(|&x| (-x + max_log_posterior).exp())
230            .sum();
231
232        let harmonic_mean_log =
233            -((sum_inv_exp / log_posterior.len() as f64).ln()) + max_log_posterior;
234
235        Ok(harmonic_mean_log)
236    }
237
238    /// Enhanced thermodynamic integration for evidence estimation
239    ///
240    /// Implements proper thermodynamic integration using a power posterior:
241    /// p(θ|y,β) ∝ p(y|θ)^β p(θ)
242    ///
243    /// The marginal likelihood is computed as:
244    /// Z = ∫ ⟨p(y|θ)⟩_{p(θ|y,β)} dβ from 0 to 1
245    fn thermodynamic_integration_evidence(
246        &self,
247        log_likelihood: &Array1<f64>,
248        logprior: Option<&Array1<f64>>,
249    ) -> Result<f64> {
250        if log_likelihood.is_empty() {
251            return Err(MetricsError::InvalidInput(
252                "Empty log _likelihood array".to_string(),
253            ));
254        }
255
256        // Use more temperature points for better accuracy
257        let numtemps = 20;
258        let temperatures = self.generate_temperature_schedule(numtemps)?;
259
260        // Compute effective sample size to handle autocorrelation
261        let ess = self.estimate_effective_sample_size(log_likelihood)?;
262        let thinning_factor = (log_likelihood.len() as f64 / ess.max(1.0)).ceil() as usize;
263
264        // Thin the samples to reduce autocorrelation
265        let thinned_indices: Vec<usize> = (0..log_likelihood.len())
266            .step_by(thinning_factor.max(1))
267            .collect();
268
269        let mut mean_log_likelihoods = Vec::new();
270
271        // For each temperature, compute the expected log _likelihood
272        for &beta in &temperatures {
273            let mean_log_like = if beta == 0.0 {
274                // At β=0, posterior equals prior, so expected log _likelihood is marginal
275                self.compute_marginal_log_likelihood(log_likelihood, logprior)?
276            } else {
277                // Compute importance-weighted expectation at temperature β
278                self.compute_tempered_expectation(log_likelihood, logprior, beta, &thinned_indices)?
279            };
280
281            mean_log_likelihoods.push(mean_log_like);
282        }
283
284        // Numerical integration using adaptive quadrature
285        let integral = self.adaptive_integration(&temperatures, &mean_log_likelihoods)?;
286
287        Ok(integral)
288    }
289
290    /// Generate optimal temperature schedule for thermodynamic integration
291    fn generate_temperature_schedule(&self, numtemps: usize) -> Result<Vec<f64>> {
292        if numtemps < 2 {
293            return Err(MetricsError::InvalidInput(
294                "Need at least 2 temperature points".to_string(),
295            ));
296        }
297
298        let mut temperatures = Vec::with_capacity(numtemps);
299
300        // Use geometric spacing near 0 and linear spacing near 1
301        // This allocates more points where the integrand changes rapidly
302        for i in 0..numtemps {
303            let t = i as f64 / (numtemps - 1) as f64;
304
305            // Sigmoidal transformation for better point distribution
306            let beta = if t < 0.5 {
307                // More points near 0
308                2.0 * t * t
309            } else {
310                // Linear spacing in upper half
311                2.0 * t - 1.0
312            };
313
314            temperatures.push(beta.clamp(0.0, 1.0));
315        }
316
317        // Ensure we have exactly β=0 and β=1
318        temperatures[0] = 0.0;
319        temperatures[numtemps - 1] = 1.0;
320
321        Ok(temperatures)
322    }
323
324    /// Estimate effective sample size for autocorrelation correction
325    fn estimate_effective_sample_size(&self, samples: &Array1<f64>) -> Result<f64> {
326        let n = samples.len();
327        if n < 4 {
328            return Ok(n as f64);
329        }
330
331        // Compute autocorrelation function
332        let mean = samples.mean_or(0.0);
333        let variance = samples.iter().map(|&x| (x - mean).powi(2)).sum::<f64>() / (n - 1) as f64;
334
335        if variance == 0.0 {
336            return Ok(n as f64);
337        }
338
339        // Compute autocorrelations up to lag n/4
340        let max_lag = n / 4;
341        let mut autocorr_sum = 1.0; // Lag 0 autocorrelation is 1
342        let mut tau_int = 1.0;
343
344        for lag in 1..max_lag {
345            if n <= lag {
346                break;
347            }
348
349            let mut covariance = 0.0;
350            let count = n - lag;
351
352            for i in 0..count {
353                covariance += (samples[i] - mean) * (samples[i + lag] - mean);
354            }
355            covariance /= count as f64;
356
357            let autocorr = covariance / variance;
358
359            // Stop when autocorrelation becomes negligible
360            if autocorr < 0.01 {
361                break;
362            }
363
364            autocorr_sum += 2.0 * autocorr;
365            tau_int = autocorr_sum;
366
367            // Self-consistent cutoff criterion
368            if lag as f64 >= 6.0 * tau_int {
369                break;
370            }
371        }
372
373        // Effective sample size
374        let ess = n as f64 / (2.0 * tau_int);
375        Ok(ess.max(1.0))
376    }
377
378    /// Compute marginal log likelihood (for β=0 case)
379    fn compute_marginal_log_likelihood(
380        &self,
381        log_likelihood: &Array1<f64>,
382        _log_prior: Option<&Array1<f64>>,
383    ) -> Result<f64> {
384        // For β=0, we sample from the _prior
385        // The expected log _likelihood is the marginal _likelihood
386
387        // Use harmonic mean estimator as approximation
388        // This is biased but gives a rough estimate
389        let n = log_likelihood.len() as f64;
390        let harmonic_mean = if log_likelihood
391            .iter()
392            .any(|&x| x.is_infinite() || x.is_nan())
393        {
394            // Handle numerical issues
395            log_likelihood
396                .iter()
397                .filter(|&&x| x.is_finite())
398                .map(|&x| (-x).exp())
399                .sum::<f64>()
400        } else {
401            log_likelihood.iter().map(|&x| (-x).exp()).sum::<f64>()
402        };
403
404        if harmonic_mean > 0.0 {
405            Ok(-((harmonic_mean / n).ln()))
406        } else {
407            Ok(-1000.0) // Very low _likelihood
408        }
409    }
410
411    /// Compute tempered expectation at given temperature
412    fn compute_tempered_expectation(
413        &self,
414        log_likelihood: &Array1<f64>,
415        logprior: Option<&Array1<f64>>,
416        beta: f64,
417        indices: &[usize],
418    ) -> Result<f64> {
419        if indices.is_empty() {
420            return Ok(0.0);
421        }
422
423        // Compute importance weights: w_i = p(y|θ_i)^β p(θ_i) / q(θ_i)
424        // where q is the proposal distribution (usually the posterior at β=1)
425
426        let mut weighted_sum = 0.0;
427        let mut weight_sum = 0.0;
428
429        // Find maximum for numerical stability
430        let max_log_like = indices
431            .iter()
432            .map(|&i| log_likelihood[i])
433            .fold(f64::NEG_INFINITY, f64::max);
434
435        for &i in indices {
436            let log_like = log_likelihood[i];
437            let log_prior_val = logprior.map(|lp| lp[i]).unwrap_or(0.0);
438
439            // Tempered log posterior (up to normalization)
440            let _log_tempered_posterior = beta * log_like + log_prior_val;
441
442            // Importance weight (stabilized)
443            let log_weight = (beta - 1.0) * (log_like - max_log_like);
444            let weight = log_weight.exp();
445
446            if weight.is_finite() && weight > 0.0 {
447                weighted_sum += weight * log_like;
448                weight_sum += weight;
449            }
450        }
451
452        if weight_sum > 0.0 {
453            Ok(weighted_sum / weight_sum)
454        } else {
455            // Fallback to simple average
456            let avg =
457                indices.iter().map(|&i| log_likelihood[i]).sum::<f64>() / indices.len() as f64;
458            Ok(avg)
459        }
460    }
461
462    /// Adaptive numerical integration using Simpson's rule with error estimation
463    fn adaptive_integration(&self, x: &[f64], y: &[f64]) -> Result<f64> {
464        if x.len() != y.len() || x.len() < 2 {
465            return Err(MetricsError::InvalidInput(
466                "Invalid integration data".to_string(),
467            ));
468        }
469
470        let n = x.len();
471        let mut integral = 0.0;
472
473        // Use composite Simpson's rule for smooth integration
474        if n >= 3 && n % 2 == 1 {
475            // Simpson's 1/3 rule for odd number of points
476            let h = (x[n - 1] - x[0]) / (n - 1) as f64;
477            integral = y[0] + y[n - 1];
478
479            for i in 1..n - 1 {
480                let coeff = if i % 2 == 1 { 4.0 } else { 2.0 };
481                integral += coeff * y[i];
482            }
483            integral *= h / 3.0;
484        } else {
485            // Fall back to trapezoidal rule
486            for i in 0..n - 1 {
487                let h = x[i + 1] - x[i];
488                integral += 0.5 * h * (y[i] + y[i + 1]);
489            }
490        }
491
492        Ok(integral)
493    }
494
495    /// Enhanced bridge sampling for evidence estimation
496    ///
497    /// Implements the bridge sampling algorithm to estimate the ratio of normalizing constants:
498    /// r = Z₁/Z₂ where Z₁ and Z₂ are normalizing constants of two distributions
499    ///
500    /// For evidence estimation, we use:
501    /// - p₁(θ) ∝ p(y|θ)p(θ) (unnormalized posterior)
502    /// - p₂(θ) ∝ p(θ) (prior)
503    ///
504    /// The evidence is Z₁/Z₂ = ∫p(y|θ)p(θ)dθ / ∫p(θ)dθ = p(y)
505    fn bridge_sampling_evidence(
506        &self,
507        log_likelihood: &Array1<f64>,
508        logprior: Option<&Array1<f64>>,
509    ) -> Result<f64> {
510        if log_likelihood.is_empty() {
511            return Err(MetricsError::InvalidInput(
512                "Empty log _likelihood array".to_string(),
513            ));
514        }
515
516        let n_samples = log_likelihood.len();
517
518        // Generate samples from _prior (proposal distribution)
519        let n_prior_samples = (n_samples / 2).max(100); // Use half for _prior samples
520        let prior_samples =
521            self.generate_prior_samples(log_likelihood, logprior, n_prior_samples)?;
522
523        // Use importance sampling to bridge between _prior and posterior
524        let log_evidence = self.iterative_bridge_sampling(
525            log_likelihood,
526            logprior,
527            &prior_samples,
528            20,   // max iterations
529            1e-6, // convergence tolerance
530        )?;
531
532        Ok(log_evidence)
533    }
534
535    /// Generate samples from the prior distribution
536    fn generate_prior_samples(
537        &self,
538        log_likelihood: &Array1<f64>,
539        logprior: Option<&Array1<f64>>,
540        n_samples: usize,
541    ) -> Result<Array1<f64>> {
542        // Since we don't have direct access to the parameter space,
543        // we use a rejection sampling approach based on the _likelihood
544
545        let mut prior_log_likes = Vec::new();
546
547        if let Some(lp) = logprior {
548            // Use _prior-weighted importance sampling
549            let weights = self.compute_prior_weights(lp)?;
550
551            // Sample indices according to _prior weights
552            for _ in 0..n_samples {
553                let sampled_idx = self.weighted_sample(&weights)?;
554                if sampled_idx < log_likelihood.len() {
555                    prior_log_likes.push(log_likelihood[sampled_idx]);
556                }
557            }
558        } else {
559            // Fallback: use bootstrap sampling with low-_likelihood bias
560            // This approximates sampling from a broader distribution
561            let min_log_like = log_likelihood.iter().fold(f64::INFINITY, |a, &b| a.min(b));
562            let _range = log_likelihood
563                .iter()
564                .fold(f64::NEG_INFINITY, |a, &b| a.max(b))
565                - min_log_like;
566
567            for i in 0..n_samples {
568                // Use systematic sampling biased towards lower likelihoods
569                let bias_factor = 0.3; // Favor lower _likelihood _samples
570                let u = (i as f64 + bias_factor) / n_samples as f64;
571                let target_quantile = u * 0.5; // Focus on lower half
572
573                let idx = ((target_quantile * log_likelihood.len() as f64) as usize)
574                    .min(log_likelihood.len() - 1);
575                prior_log_likes.push(log_likelihood[idx]);
576            }
577        }
578
579        if prior_log_likes.is_empty() {
580            return Err(MetricsError::InvalidInput(
581                "Failed to generate _prior _samples".to_string(),
582            ));
583        }
584
585        Ok(Array1::from_vec(prior_log_likes))
586    }
587
588    /// Compute prior weights for importance sampling
589    fn compute_prior_weights(&self, logprior: &Array1<f64>) -> Result<Array1<f64>> {
590        let max_log_prior = logprior.iter().fold(f64::NEG_INFINITY, |a, &b| a.max(b));
591
592        let weights = logprior
593            .iter()
594            .map(|&lp| (lp - max_log_prior).exp())
595            .collect::<Vec<f64>>();
596
597        Ok(Array1::from_vec(weights))
598    }
599
600    /// Sample index according to weights
601    fn weighted_sample(&self, weights: &Array1<f64>) -> Result<usize> {
602        let total_weight: f64 = weights.sum();
603        if total_weight <= 0.0 {
604            return Ok(0); // Fallback to first element
605        }
606
607        // Simple deterministic sampling for reproducibility
608        let n = weights.len();
609        let u = 0.5; // Use midpoint for deterministic sampling
610        let target = u * total_weight;
611
612        let mut cumsum = 0.0;
613        for (i, &w) in weights.iter().enumerate() {
614            cumsum += w;
615            if cumsum >= target {
616                return Ok(i);
617            }
618        }
619
620        Ok(n - 1)
621    }
622
623    /// Iterative bridge sampling algorithm
624    fn iterative_bridge_sampling(
625        &self,
626        log_likelihood: &Array1<f64>,
627        logprior: Option<&Array1<f64>>,
628        prior_samples: &Array1<f64>,
629        max_iter: usize,
630        tolerance: f64,
631    ) -> Result<f64> {
632        let n1 = log_likelihood.len(); // Posterior _samples
633        let n2 = prior_samples.len(); // Prior _samples
634
635        // Initialize with simple ratio estimate
636        let mut log_r = self.initialize_bridge_estimate(log_likelihood, prior_samples)?;
637
638        for _iter in 0..max_iter {
639            let log_r_new =
640                self.bridge_iteration(log_likelihood, logprior, prior_samples, log_r, n1, n2)?;
641
642            // Check convergence
643            if (log_r_new - log_r).abs() < tolerance {
644                return Ok(log_r_new);
645            }
646
647            log_r = log_r_new;
648        }
649
650        Ok(log_r)
651    }
652
653    /// Initialize bridge sampling estimate
654    fn initialize_bridge_estimate(
655        &self,
656        posterior_log_likes: &Array1<f64>,
657        prior_log_likes: &Array1<f64>,
658    ) -> Result<f64> {
659        // Simple initial estimate using sample means
660        let posterior_mean = posterior_log_likes.mean_or(0.0);
661        let prior_mean = prior_log_likes.mean_or(0.0);
662
663        Ok(posterior_mean - prior_mean)
664    }
665
666    /// Single iteration of bridge sampling
667    fn bridge_iteration(
668        &self,
669        log_likelihood: &Array1<f64>,
670        logprior: Option<&Array1<f64>>,
671        prior_samples: &Array1<f64>,
672        log_r_current: f64,
673        n1: usize,
674        n2: usize,
675    ) -> Result<f64> {
676        // Bridge function: b(θ) = s₁ * p₁(θ) * p₂(θ) / (s₁ * p₁(θ) + s₂ * p₂(θ))
677        // where s₁ = n₁, s₂ = n₂
678
679        let s1 = n1 as f64;
680        let s2 = n2 as f64;
681
682        // Compute terms for posterior _samples (_samples from p₁)
683        let mut num_1 = 0.0;
684        let mut den_1 = 0.0;
685
686        for (i, &log_like) in log_likelihood.iter().enumerate() {
687            let log_prior_val = logprior.map(|lp| lp[i]).unwrap_or(0.0);
688            let log_p1 = log_like + log_prior_val; // Log unnormalized posterior
689            let log_p2 = log_prior_val; // Log _prior
690
691            // Bridge weights
692            let log_denom =
693                self.log_sum_exp(&[(s1 * log_p1).ln() + log_r_current, (s2 * log_p2).ln()]);
694
695            let bridge_weight_1 = ((s2 * log_p2).ln() - log_denom).exp();
696            let bridge_weight_2 = ((s1 * log_p1).ln() + log_r_current - log_denom).exp();
697
698            if bridge_weight_1.is_finite() && bridge_weight_2.is_finite() {
699                num_1 += bridge_weight_1;
700                den_1 += bridge_weight_2;
701            }
702        }
703
704        // Compute terms for _prior _samples (_samples from p₂)
705        let mut num_2 = 0.0;
706        let mut den_2 = 0.0;
707
708        for &prior_log_like in prior_samples.iter() {
709            // For _prior samples, we approximate the _prior value
710            let log_p1 = prior_log_like; // Approximate log unnormalized posterior
711            let log_p2 = 0.0; // Approximate log _prior (normalized)
712
713            let log_denom =
714                self.log_sum_exp(&[(s1 * log_p1).ln() + log_r_current, (s2 * log_p2).ln()]);
715
716            let bridge_weight_1 = ((s1 * log_p1).ln() + log_r_current - log_denom).exp();
717            let bridge_weight_2 = ((s2 * log_p2).ln() - log_denom).exp();
718
719            if bridge_weight_1.is_finite() && bridge_weight_2.is_finite() {
720                num_2 += bridge_weight_1;
721                den_2 += bridge_weight_2;
722            }
723        }
724
725        // Update estimate
726        let total_num = num_1 + num_2;
727        let total_den = den_1 + den_2;
728
729        if total_den > 0.0 && total_num > 0.0 {
730            Ok((total_num / total_den).ln())
731        } else {
732            Ok(log_r_current) // No update if numerical issues
733        }
734    }
735
736    /// Numerically stable log-sum-exp function
737    fn log_sum_exp(&self, logvalues: &[f64]) -> f64 {
738        if logvalues.is_empty() {
739            return f64::NEG_INFINITY;
740        }
741
742        let max_val = logvalues.iter().fold(f64::NEG_INFINITY, |a, &b| a.max(b));
743
744        if max_val.is_infinite() {
745            return max_val;
746        }
747
748        let sum_exp: f64 = logvalues.iter().map(|&x| (x - max_val).exp()).sum();
749
750        max_val + sum_exp.ln()
751    }
752
753    /// Enhanced nested sampling for evidence estimation
754    ///
755    /// Implements an advanced nested sampling algorithm that estimates the evidence by:
756    /// 1. Maintaining a set of "live points" from the prior
757    /// 2. Iteratively replacing the point with lowest likelihood
758    /// 3. Estimating prior volume contraction at each iteration
759    /// 4. Integrating likelihood × prior volume to get evidence
760    ///
761    /// This implementation includes error estimation and handles numerical stability
762    fn nested_sampling_evidence(
763        &self,
764        log_likelihood: &Array1<f64>,
765        logprior: Option<&Array1<f64>>,
766    ) -> Result<f64> {
767        if log_likelihood.is_empty() {
768            return Err(MetricsError::InvalidInput(
769                "Empty _likelihood array".to_string(),
770            ));
771        }
772
773        let n_samples = log_likelihood.len();
774        let nlive = (n_samples / 10).clamp(10, 100); // Adaptive number of live points
775
776        // Initialize nested sampling
777        let (log_evidence, log_evidence_error) =
778            self.nested_sampling_integration(log_likelihood, logprior, nlive)?;
779
780        // Apply correction for finite sample effects
781        let corrected_log_evidence = self.apply_nested_sampling_corrections(
782            log_evidence,
783            log_evidence_error,
784            nlive,
785            n_samples,
786        )?;
787
788        Ok(corrected_log_evidence)
789    }
790
791    /// Core nested sampling integration routine
792    fn nested_sampling_integration(
793        &self,
794        log_likelihood: &Array1<f64>,
795        _log_prior: Option<&Array1<f64>>,
796        nlive: usize,
797    ) -> Result<(f64, f64)> {
798        // Sort samples by _likelihood to simulate nested sampling iterations
799        let mut indexed_samples: Vec<(usize, f64)> = log_likelihood
800            .iter()
801            .enumerate()
802            .map(|(i, &ll)| (i, ll))
803            .collect();
804        indexed_samples.sort_by(|a, b| a.1.partial_cmp(&b.1).unwrap_or(std::cmp::Ordering::Equal));
805
806        // Initialize _live points (highest _likelihood samples)
807        let live_start = indexed_samples.len().saturating_sub(nlive);
808        let mut live_points: Vec<(usize, f64)> = indexed_samples[live_start..].to_vec();
809
810        // Containers for evidence calculation
811        let mut log_weights = Vec::new();
812        let mut log_likes = Vec::new();
813        let mut log_prior_volumes = Vec::new();
814
815        // Initial _prior volume
816        let mut log_x = 0.0; // log(1.0)
817
818        // Nested sampling iterations
819        let n_iterations = indexed_samples.len().saturating_sub(nlive);
820        for iter in 0..n_iterations {
821            // Find point with minimum _likelihood among _live points
822            let (min_idx, min_log_like) = live_points
823                .iter()
824                .enumerate()
825                .min_by(|(_, (_, a)), (_, (_, b))| {
826                    a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal)
827                })
828                .map(|(i, (_idx, ll))| (i, *ll))
829                .unwrap_or((0, f64::NEG_INFINITY));
830
831            // Prior volume contraction
832            let shrinkage_factor = self.estimate_shrinkage_factor(nlive, iter)?;
833            let new_log_x = log_x + shrinkage_factor.ln();
834
835            // Weight for this iteration
836            let log_width = self.log_sum_exp(&[log_x, new_log_x]) - (2.0_f64).ln(); // Average of current and next
837
838            log_weights.push(log_width);
839            log_likes.push(min_log_like);
840            log_prior_volumes.push(log_x);
841
842            // Update _prior volume
843            log_x = new_log_x;
844
845            // Replace minimum _likelihood point with next sample from ordered list
846            if iter < n_iterations - 1 {
847                let replacement_idx = indexed_samples[iter].0;
848                let replacement_log_like = indexed_samples[iter].1;
849                live_points[min_idx] = (replacement_idx, replacement_log_like);
850            }
851        }
852
853        // Add final contribution from remaining _live points
854        let final_log_x = log_x - (nlive as f64).ln();
855        for (_, log_like) in &live_points {
856            log_weights.push(final_log_x);
857            log_likes.push(*log_like);
858            log_prior_volumes.push(final_log_x);
859        }
860
861        // Compute evidence and error estimate
862        let (log_evidence, log_evidence_error) =
863            self.compute_evidence_and_error(&log_weights, &log_likes, &log_prior_volumes)?;
864
865        Ok((log_evidence, log_evidence_error))
866    }
867
868    /// Estimate shrinkage factor for prior volume
869    fn estimate_shrinkage_factor(&self, nlive: usize, iteration: usize) -> Result<f64> {
870        // Expected shrinkage factor at each iteration
871        // E[log(X_{i+1}/X_i)] = -1/n for standard nested sampling
872
873        let base_shrinkage = 1.0 / nlive as f64;
874
875        // Add small random variation to avoid perfect geometric progression
876        // This simulates the stochasticity in real nested sampling
877        let variation = 0.1 * (iteration as f64 * 0.1).sin(); // Deterministic variation
878        let shrinkage = base_shrinkage * (1.0 + variation);
879
880        Ok(shrinkage.max(1e-10)) // Ensure positive shrinkage
881    }
882
883    /// Compute evidence and error estimate from nested sampling results
884    fn compute_evidence_and_error(
885        &self,
886        log_weights: &[f64],
887        log_likes: &[f64],
888        log_prior_volumes: &[f64],
889    ) -> Result<(f64, f64)> {
890        if log_weights.len() != log_likes.len() || log_weights.is_empty() {
891            return Err(MetricsError::InvalidInput(
892                "Mismatched or empty arrays".to_string(),
893            ));
894        }
895
896        // Compute log evidence using log-sum-exp for numerical stability
897        let log_terms: Vec<f64> = log_weights
898            .iter()
899            .zip(log_likes.iter())
900            .map(|(&log_w, &log_l)| log_w + log_l)
901            .collect();
902
903        let log_evidence = self.log_sum_exp(&log_terms);
904
905        // Estimate error using information-theoretic approach
906        let log_evidence_error =
907            self.estimate_evidence_error(&log_terms, log_evidence, log_prior_volumes)?;
908
909        Ok((log_evidence, log_evidence_error))
910    }
911
912    /// Estimate evidence uncertainty
913    fn estimate_evidence_error(
914        &self,
915        log_terms: &[f64],
916        log_evidence: f64,
917        log_prior_volumes: &[f64],
918    ) -> Result<f64> {
919        if log_terms.is_empty() {
920            return Ok(0.0);
921        }
922
923        // Compute relative contributions to _evidence
924        let mut relative_contributions = Vec::new();
925        for &log_term in log_terms {
926            let contribution = (log_term - log_evidence).exp();
927            relative_contributions.push(contribution);
928        }
929
930        // Information-based error estimate
931        let h_info: f64 = relative_contributions
932            .iter()
933            .filter(|&&x| x > 0.0)
934            .map(|&x| -x * x.ln())
935            .sum();
936
937        // Scale by typical prior volume spacing
938        let log_volume_range = if log_prior_volumes.len() > 1 {
939            log_prior_volumes
940                .iter()
941                .fold(f64::NEG_INFINITY, |a, &b| a.max(b))
942                - log_prior_volumes
943                    .iter()
944                    .fold(f64::INFINITY, |a, &b| a.min(b))
945        } else {
946            1.0
947        };
948
949        let log_error = 0.5 * (h_info.ln() + log_volume_range);
950        Ok(log_error)
951    }
952
953    /// Apply finite-sample corrections to nested sampling evidence estimate
954    fn apply_nested_sampling_corrections(
955        &self,
956        log_evidence: f64,
957        log_evidence_error: f64,
958        nlive: usize,
959        n_total: usize,
960    ) -> Result<f64> {
961        // Correction for finite number of _live points
962        let live_point_correction = -(nlive as f64).ln() / 2.0;
963
964        // Correction for finite sample size
965        let sample_size_correction = if n_total > 100 {
966            -(n_total as f64).ln() / (2.0 * n_total as f64)
967        } else {
968            -0.01 // Small penalty for very limited samples
969        };
970
971        // Conservative correction: subtract _error estimate for robustness
972        let conservative_correction = -log_evidence_error.abs();
973
974        let corrected_evidence =
975            log_evidence + live_point_correction + sample_size_correction + conservative_correction;
976
977        Ok(corrected_evidence)
978    }
979
980    /// Interpret Bayes factor strength using Jeffreys' scale
981    fn interpret_bayes_factor(bf: f64) -> String {
982        if bf < 1.0 {
983            let inv_bf = 1.0 / bf;
984            if inv_bf < 3.0 {
985                "Barely worth mentioning (favors B)".to_string()
986            } else if inv_bf < 10.0 {
987                "Substantial evidence for B".to_string()
988            } else if inv_bf < 30.0 {
989                "Strong evidence for B".to_string()
990            } else if inv_bf < 100.0 {
991                "Very strong evidence for B".to_string()
992            } else {
993                "Extreme evidence for B".to_string()
994            }
995        } else if bf < 3.0 {
996            "Barely worth mentioning (favors A)".to_string()
997        } else if bf < 10.0 {
998            "Substantial evidence for A".to_string()
999        } else if bf < 30.0 {
1000            "Strong evidence for A".to_string()
1001        } else if bf < 100.0 {
1002            "Very strong evidence for A".to_string()
1003        } else {
1004            "Extreme evidence for A".to_string()
1005        }
1006    }
1007
1008    /// Calculate variance of an array
1009    #[allow(dead_code)]
1010    fn calculate_variance(&self, data: &Array1<f64>) -> Result<f64> {
1011        if data.is_empty() {
1012            return Ok(0.0);
1013        }
1014
1015        let mean = data.mean_or(0.0);
1016        let variance = data.iter().map(|x| (x - mean).powi(2)).sum::<f64>() / data.len() as f64;
1017        Ok(variance)
1018    }
1019}
1020
1021/// Bayesian information criteria calculator
1022pub struct BayesianInformationCriteria {
1023    /// Number of samples for WAIC/LOO calculation
1024    num_samples: usize,
1025}
1026
1027impl Default for BayesianInformationCriteria {
1028    fn default() -> Self {
1029        Self::new()
1030    }
1031}
1032
1033impl BayesianInformationCriteria {
1034    /// Create new Bayesian information criteria calculator
1035    pub fn new() -> Self {
1036        Self { num_samples: 1000 }
1037    }
1038
1039    /// Set number of samples for calculations
1040    pub fn with_num_samples(mut self, numsamples: usize) -> Self {
1041        self.num_samples = numsamples;
1042        self
1043    }
1044
1045    /// Calculate comprehensive Bayesian information criteria
1046    pub fn evaluate_model(
1047        &self,
1048        log_likelihoodsamples: &Array2<f64>, // Shape: (n_samples, n_observations)
1049        num_parameters: usize,
1050        num_observations: usize,
1051    ) -> Result<BayesianInformationResults> {
1052        if log_likelihoodsamples.is_empty() {
1053            return Err(MetricsError::InvalidInput(
1054                "Empty likelihood _samples".to_string(),
1055            ));
1056        }
1057
1058        // Calculate WAIC and effective _parameters
1059        let (waic, p_waic) = self.calculate_waic(log_likelihoodsamples)?;
1060
1061        // Calculate LOO-CV
1062        let loo_cv = self.calculate_loo_cv(log_likelihoodsamples)?;
1063
1064        // Calculate BIC (requires point estimate of log-likelihood)
1065        let mean_log_likelihood: f64 = log_likelihoodsamples.mean_or(0.0);
1066        let bic = -2.0 * mean_log_likelihood * num_observations as f64
1067            + (num_parameters as f64) * (num_observations as f64).ln();
1068
1069        // Calculate DIC
1070        let dic = self.calculate_dic(log_likelihoodsamples)?;
1071
1072        Ok(BayesianInformationResults {
1073            bic,
1074            waic,
1075            loo_cv,
1076            dic,
1077            p_waic,
1078            model_rank: 0, // Set externally when comparing multiple models
1079        })
1080    }
1081
1082    /// Calculate Widely Applicable Information Criterion (WAIC)
1083    fn calculate_waic(&self, log_likelihoodsamples: &Array2<f64>) -> Result<(f64, f64)> {
1084        let (n_samples, n_obs) = log_likelihoodsamples.dim();
1085        if n_samples == 0 || n_obs == 0 {
1086            return Err(MetricsError::InvalidInput(
1087                "Empty likelihood _samples".to_string(),
1088            ));
1089        }
1090
1091        let mut lppd = 0.0; // Log pointwise predictive density
1092        let mut p_waic = 0.0; // Effective number of parameters
1093
1094        for i in 0..n_obs {
1095            let obs_likelihoods = log_likelihoodsamples.column(i);
1096
1097            // Calculate log mean of exp(log_likelihood) for this observation
1098            let max_ll = obs_likelihoods
1099                .iter()
1100                .fold(f64::NEG_INFINITY, |a, &b| a.max(b));
1101            let sum_exp: f64 = obs_likelihoods.iter().map(|&x| (x - max_ll).exp()).sum();
1102            let log_mean_exp = (sum_exp / n_samples as f64).ln() + max_ll;
1103
1104            lppd += log_mean_exp;
1105
1106            // Calculate variance of log-likelihood for this observation
1107            let mean_ll = obs_likelihoods.mean();
1108            let var_ll: f64 = obs_likelihoods
1109                .iter()
1110                .map(|&x| (x - mean_ll).powi(2))
1111                .sum::<f64>()
1112                / n_samples as f64;
1113
1114            p_waic += var_ll;
1115        }
1116
1117        let waic = -2.0 * (lppd - p_waic);
1118        Ok((waic, p_waic))
1119    }
1120
1121    /// Calculate Leave-One-Out Cross-Validation (LOO-CV)
1122    fn calculate_loo_cv(&self, log_likelihoodsamples: &Array2<f64>) -> Result<f64> {
1123        let (n_samples, n_obs) = log_likelihoodsamples.dim();
1124        if n_samples == 0 || n_obs == 0 {
1125            return Err(MetricsError::InvalidInput(
1126                "Empty likelihood _samples".to_string(),
1127            ));
1128        }
1129
1130        let mut loo_sum = 0.0;
1131
1132        for i in 0..n_obs {
1133            let obs_likelihoods = log_likelihoodsamples.column(i);
1134
1135            // Importance sampling weights (Pareto smoothed importance sampling)
1136            let weights = self.calculate_psis_weights(&obs_likelihoods.to_owned())?;
1137
1138            // Weighted average for LOO estimate
1139            let weighted_sum: f64 = obs_likelihoods
1140                .iter()
1141                .zip(weights.iter())
1142                .map(|(&ll, &w)| w * ll.exp())
1143                .sum();
1144
1145            let weight_sum: f64 = weights.sum();
1146
1147            if weight_sum > 1e-10 {
1148                loo_sum += (weighted_sum / weight_sum).ln();
1149            }
1150        }
1151
1152        Ok(-2.0 * loo_sum)
1153    }
1154
1155    /// Calculate Deviance Information Criterion (DIC)
1156    fn calculate_dic(&self, log_likelihoodsamples: &Array2<f64>) -> Result<f64> {
1157        let mean_deviance = -2.0 * log_likelihoodsamples.mean_or(0.0);
1158
1159        // Calculate deviance at posterior mean (simplified)
1160        let posterior_mean_ll = log_likelihoodsamples
1161            .mean_axis(Axis(0))
1162            .expect("Operation failed");
1163        let deviance_at_mean = -2.0 * posterior_mean_ll.sum();
1164
1165        let p_dic = mean_deviance - deviance_at_mean;
1166        let dic = mean_deviance + p_dic;
1167
1168        Ok(dic)
1169    }
1170
1171    /// Calculate Pareto Smoothed Importance Sampling weights (simplified)
1172    fn calculate_psis_weights(&self, logweights: &Array1<f64>) -> Result<Array1<f64>> {
1173        let n = logweights.len();
1174        if n == 0 {
1175            return Ok(Array1::zeros(0));
1176        }
1177
1178        // Subtract maximum for numerical stability
1179        let max_weight = logweights.iter().fold(f64::NEG_INFINITY, |a, &b| a.max(b));
1180        let weights: Array1<f64> = logweights.mapv(|x| (x - max_weight).exp());
1181
1182        // Simple smoothing (in practice, would use Pareto tail fitting)
1183        let sum_weights = weights.sum();
1184        if sum_weights > 1e-10 {
1185            Ok(weights / sum_weights)
1186        } else {
1187            Ok(Array1::from_elem(n, 1.0 / n as f64))
1188        }
1189    }
1190}
1191
1192/// Posterior predictive check calculator
1193pub struct PosteriorPredictiveCheck {
1194    /// Test statistic function type
1195    test_statistic: TestStatisticType,
1196    /// Number of posterior predictive samples
1197    num_samples: usize,
1198}
1199
1200/// Types of test statistics for posterior predictive checks
1201#[derive(Debug, Clone)]
1202pub enum TestStatisticType {
1203    /// Mean of the data
1204    Mean,
1205    /// Variance of the data
1206    Variance,
1207    /// Minimum value
1208    Minimum,
1209    /// Maximum value
1210    Maximum,
1211    /// Custom test statistic function
1212    Custom(String),
1213}
1214
1215impl Default for PosteriorPredictiveCheck {
1216    fn default() -> Self {
1217        Self::new()
1218    }
1219}
1220
1221impl PosteriorPredictiveCheck {
1222    /// Create new posterior predictive check calculator
1223    pub fn new() -> Self {
1224        Self {
1225            test_statistic: TestStatisticType::Mean,
1226            num_samples: 1000,
1227        }
1228    }
1229
1230    /// Set test statistic type
1231    pub fn with_test_statistic(mut self, teststatistic: TestStatisticType) -> Self {
1232        self.test_statistic = teststatistic;
1233        self
1234    }
1235
1236    /// Set number of posterior predictive samples
1237    pub fn with_num_samples(mut self, numsamples: usize) -> Self {
1238        self.num_samples = numsamples;
1239        self
1240    }
1241
1242    /// Perform posterior predictive check
1243    pub fn check_model_adequacy(
1244        &self,
1245        observed_data: &Array1<f64>,
1246        posterior_predictive_samples: &Array2<f64>, // Shape: (n_samples, n_observations)
1247    ) -> Result<PosteriorPredictiveResults> {
1248        if posterior_predictive_samples.is_empty() {
1249            return Err(MetricsError::InvalidInput(
1250                "Empty posterior predictive _samples".to_string(),
1251            ));
1252        }
1253
1254        let (n_samples, n_obs) = posterior_predictive_samples.dim();
1255        if observed_data.len() != n_obs {
1256            return Err(MetricsError::InvalidInput(
1257                "Observed _data length doesn't match predictive _samples".to_string(),
1258            ));
1259        }
1260
1261        // Calculate test statistic for observed _data
1262        let observed_statistic = self.calculate_test_statistic(observed_data)?;
1263
1264        // Calculate test statistics for posterior predictive _samples
1265        let mut predicted_statistics = Vec::with_capacity(n_samples);
1266        for i in 0..n_samples {
1267            let sample = posterior_predictive_samples.row(i).to_owned();
1268            let statistic = self.calculate_test_statistic(&sample)?;
1269            predicted_statistics.push(statistic);
1270        }
1271
1272        let predicted_statistics = Array1::from_vec(predicted_statistics);
1273        let predicted_statistic_std = self.calculate_std(&predicted_statistics)?;
1274        let predicted_statistic_mean = predicted_statistics.clone().mean();
1275
1276        // Calculate Bayesian p-value
1277        let count_extreme = predicted_statistics
1278            .iter()
1279            .filter(|&&x| x >= observed_statistic)
1280            .count();
1281        let bayesian_p_value = count_extreme as f64 / n_samples as f64;
1282
1283        // Calculate tail probability (two-sided)
1284        let tail_probability = 2.0 * bayesian_p_value.min(1.0 - bayesian_p_value);
1285
1286        // Model adequacy check (typically 0.05 < p < 0.95 is considered adequate)
1287        let model_adequate = bayesian_p_value > 0.05 && bayesian_p_value < 0.95;
1288
1289        Ok(PosteriorPredictiveResults {
1290            bayesian_p_value,
1291            observed_statistic,
1292            predicted_statistic_mean,
1293            predicted_statistic_std,
1294            tail_probability,
1295            model_adequate,
1296        })
1297    }
1298
1299    /// Calculate test statistic based on the chosen type
1300    fn calculate_test_statistic(&self, data: &Array1<f64>) -> Result<f64> {
1301        if data.is_empty() {
1302            return Ok(0.0);
1303        }
1304
1305        match &self.test_statistic {
1306            TestStatisticType::Mean => Ok(data.mean_or(0.0)),
1307            TestStatisticType::Variance => {
1308                let mean = data.mean_or(0.0);
1309                let variance =
1310                    data.iter().map(|x| (x - mean).powi(2)).sum::<f64>() / data.len() as f64;
1311                Ok(variance)
1312            }
1313            TestStatisticType::Minimum => Ok(data.iter().fold(f64::INFINITY, |a, &b| a.min(b))),
1314            TestStatisticType::Maximum => Ok(data.iter().fold(f64::NEG_INFINITY, |a, &b| a.max(b))),
1315            TestStatisticType::Custom(_name) => {
1316                // For custom functions, implement specific logic
1317                // For now, return mean as default
1318                Ok(data.mean_or(0.0))
1319            }
1320        }
1321    }
1322
1323    /// Calculate standard deviation
1324    fn calculate_std(&self, data: &Array1<f64>) -> Result<f64> {
1325        if data.is_empty() {
1326            return Ok(0.0);
1327        }
1328
1329        let mean = data.mean_or(0.0);
1330        let variance = data.iter().map(|x| (x - mean).powi(2)).sum::<f64>() / data.len() as f64;
1331        Ok(variance.sqrt())
1332    }
1333}
1334
1335/// Credible interval calculator for Bayesian metrics
1336pub struct CredibleIntervalCalculator {
1337    /// Credible level (e.g., 0.95 for 95% CI)
1338    credible_level: f64,
1339    /// Null hypothesis value for testing
1340    null_value: Option<f64>,
1341}
1342
1343impl Default for CredibleIntervalCalculator {
1344    fn default() -> Self {
1345        Self::new()
1346    }
1347}
1348
1349impl CredibleIntervalCalculator {
1350    /// Create new credible interval calculator
1351    pub fn new() -> Self {
1352        Self {
1353            credible_level: 0.95,
1354            null_value: None,
1355        }
1356    }
1357
1358    /// Set credible level
1359    pub fn with_credible_level(mut self, level: f64) -> Result<Self> {
1360        if level <= 0.0 || level >= 1.0 {
1361            return Err(MetricsError::InvalidInput(
1362                "Credible level must be between 0 and 1".to_string(),
1363            ));
1364        }
1365        self.credible_level = level;
1366        Ok(self)
1367    }
1368
1369    /// Set null hypothesis value for testing
1370    pub fn with_null_value(mut self, nullvalue: f64) -> Self {
1371        self.null_value = Some(nullvalue);
1372        self
1373    }
1374
1375    /// Calculate credible intervals from posterior samples
1376    pub fn calculate_intervals(
1377        &self,
1378        posterior_samples: &Array1<f64>,
1379    ) -> Result<CredibleIntervalResults> {
1380        if posterior_samples.is_empty() {
1381            return Err(MetricsError::InvalidInput(
1382                "Empty posterior _samples".to_string(),
1383            ));
1384        }
1385
1386        // Sort _samples for quantile calculation
1387        let mut sortedsamples = posterior_samples.to_vec();
1388        sortedsamples.sort_by(|a, b| a.partial_cmp(b).expect("Operation failed"));
1389
1390        let n = sortedsamples.len();
1391        let alpha = 1.0 - self.credible_level;
1392
1393        // Equal-tailed credible interval
1394        let lower_idx = ((alpha / 2.0) * n as f64).floor() as usize;
1395        let upper_idx = ((1.0 - alpha / 2.0) * n as f64).ceil() as usize - 1;
1396
1397        let lower_bound = sortedsamples[lower_idx.min(n - 1)];
1398        let upper_bound = sortedsamples[upper_idx.min(n - 1)];
1399
1400        // Posterior statistics
1401        let posterior_mean = posterior_samples.mean_or(0.0);
1402        let posterior_median = if n.is_multiple_of(2) {
1403            (sortedsamples[n / 2 - 1] + sortedsamples[n / 2]) / 2.0
1404        } else {
1405            sortedsamples[n / 2]
1406        };
1407
1408        // Check if null value is contained
1409        let contains_null = if let Some(null_val) = self.null_value {
1410            null_val >= lower_bound && null_val <= upper_bound
1411        } else {
1412            false
1413        };
1414
1415        // Calculate HPD interval (simplified)
1416        let hpd_interval = self.calculate_hpd_interval(&sortedsamples)?;
1417
1418        Ok(CredibleIntervalResults {
1419            lower_bound,
1420            upper_bound,
1421            credible_level: self.credible_level,
1422            posterior_mean,
1423            posterior_median,
1424            contains_null,
1425            hpd_interval,
1426        })
1427    }
1428
1429    /// Calculate Highest Posterior Density (HPD) interval
1430    fn calculate_hpd_interval(&self, sortedsamples: &[f64]) -> Result<(f64, f64)> {
1431        let n = sortedsamples.len();
1432        let interval_length = (self.credible_level * n as f64).round() as usize;
1433
1434        if interval_length >= n {
1435            return Ok((sortedsamples[0], sortedsamples[n - 1]));
1436        }
1437
1438        // Find interval with minimum width
1439        let mut min_width = f64::INFINITY;
1440        let mut best_lower = sortedsamples[0];
1441        let mut best_upper = sortedsamples[n - 1];
1442
1443        for i in 0..=(n - interval_length) {
1444            let lower = sortedsamples[i];
1445            let upper = sortedsamples[i + interval_length - 1];
1446            let width = upper - lower;
1447
1448            if width < min_width {
1449                min_width = width;
1450                best_lower = lower;
1451                best_upper = upper;
1452            }
1453        }
1454
1455        Ok((best_lower, best_upper))
1456    }
1457}
1458
1459/// Bayesian model averaging calculator
1460pub struct BayesianModelAveraging {
1461    /// Method for calculating model weights
1462    weighting_method: ModelWeightingMethod,
1463}
1464
1465/// Methods for calculating model weights in Bayesian model averaging
1466#[derive(Debug, Clone, Copy)]
1467pub enum ModelWeightingMethod {
1468    /// Use marginal likelihoods (Bayes factors)
1469    MarginalLikelihood,
1470    /// Use information criteria (e.g., WAIC)
1471    InformationCriteria,
1472    /// Use cross-validation scores
1473    CrossValidation,
1474    /// Equal weights for all models
1475    Equal,
1476}
1477
1478impl Default for BayesianModelAveraging {
1479    fn default() -> Self {
1480        Self::new()
1481    }
1482}
1483
1484impl BayesianModelAveraging {
1485    /// Create new Bayesian model averaging calculator
1486    pub fn new() -> Self {
1487        Self {
1488            weighting_method: ModelWeightingMethod::InformationCriteria,
1489        }
1490    }
1491
1492    /// Set model weighting method
1493    pub fn with_weighting_method(mut self, method: ModelWeightingMethod) -> Self {
1494        self.weighting_method = method;
1495        self
1496    }
1497
1498    /// Perform Bayesian model averaging
1499    pub fn average_models(
1500        &self,
1501        predictions: &Array2<f64>, // Shape: (n_models, n_observations)
1502        modelscores: &Array1<f64>, // Model comparison scores
1503    ) -> Result<BayesianModelAveragingResults> {
1504        let (n_models, n_obs) = predictions.dim();
1505        if modelscores.len() != n_models {
1506            return Err(MetricsError::InvalidInput(
1507                "Number of model _scores must match number of models".to_string(),
1508            ));
1509        }
1510
1511        if n_models == 0 || n_obs == 0 {
1512            return Err(MetricsError::InvalidInput(
1513                "Empty predictions array".to_string(),
1514            ));
1515        }
1516
1517        // Calculate model weights
1518        let model_weights = self.calculate_model_weights(modelscores)?;
1519
1520        // Calculate weighted average predictions
1521        let mut averaged_prediction = Array1::zeros(n_obs);
1522        for i in 0..n_obs {
1523            let mut weighted_sum = 0.0;
1524            for j in 0..n_models {
1525                weighted_sum += model_weights[j] * predictions[[j, i]];
1526            }
1527            averaged_prediction[i] = weighted_sum;
1528        }
1529
1530        // Calculate model uncertainty (variance across models)
1531        let mut model_uncertainty = Array1::zeros(n_obs);
1532        for i in 0..n_obs {
1533            let mut weighted_variance = 0.0;
1534            for j in 0..n_models {
1535                let diff = predictions[[j, i]] - averaged_prediction[i];
1536                weighted_variance += model_weights[j] * diff * diff;
1537            }
1538            model_uncertainty[i] = weighted_variance;
1539        }
1540
1541        // Calculate within-model variance using residual variance from each model
1542        let mut within_model_variance = Array1::<f64>::zeros(n_obs);
1543        for i in 0..n_models {
1544            let prediction_row = predictions.row(i);
1545            let residual_sq = (&prediction_row - &averaged_prediction).mapv(|x| x * x);
1546            within_model_variance = within_model_variance + residual_sq * model_weights[i];
1547        }
1548        let total_variance = &model_uncertainty + &within_model_variance;
1549
1550        Ok(BayesianModelAveragingResults {
1551            averaged_prediction,
1552            model_weights,
1553            individual_predictions: predictions.clone(),
1554            model_uncertainty,
1555            total_variance,
1556        })
1557    }
1558
1559    /// Calculate model weights based on the chosen method
1560    fn calculate_model_weights(&self, modelscores: &Array1<f64>) -> Result<Array1<f64>> {
1561        match self.weighting_method {
1562            ModelWeightingMethod::MarginalLikelihood => {
1563                self.marginal_likelihood_weights(modelscores)
1564            }
1565            ModelWeightingMethod::InformationCriteria => {
1566                self.information_criteria_weights(modelscores)
1567            }
1568            ModelWeightingMethod::CrossValidation => self.cross_validation_weights(modelscores),
1569            ModelWeightingMethod::Equal => {
1570                let n = modelscores.len();
1571                Ok(Array1::from_elem(n, 1.0 / n as f64))
1572            }
1573        }
1574    }
1575
1576    /// Calculate weights from marginal likelihoods
1577    fn marginal_likelihood_weights(
1578        &self,
1579        log_marginal_likelihoods: &Array1<f64>,
1580    ) -> Result<Array1<f64>> {
1581        // Normalize log marginal _likelihoods to get model probabilities
1582        let max_log_ml = log_marginal_likelihoods
1583            .iter()
1584            .fold(f64::NEG_INFINITY, |a, &b| a.max(b));
1585
1586        let exp_weights: Array1<f64> = log_marginal_likelihoods.mapv(|x| (x - max_log_ml).exp());
1587        let sum_weights = exp_weights.sum();
1588
1589        if sum_weights > 1e-10 {
1590            Ok(exp_weights / sum_weights)
1591        } else {
1592            let n = log_marginal_likelihoods.len();
1593            Ok(Array1::from_elem(n, 1.0 / n as f64))
1594        }
1595    }
1596
1597    /// Calculate weights from information criteria (lower is better)
1598    fn information_criteria_weights(
1599        &self,
1600        information_criteria: &Array1<f64>,
1601    ) -> Result<Array1<f64>> {
1602        // Convert to relative likelihood (AIC/BIC weights)
1603        let min_ic = information_criteria
1604            .iter()
1605            .fold(f64::INFINITY, |a, &b| a.min(b));
1606
1607        let delta_ic: Array1<f64> = information_criteria.mapv(|x| x - min_ic);
1608        let exp_weights: Array1<f64> = delta_ic.mapv(|x| (-0.5 * x).exp());
1609        let sum_weights = exp_weights.sum();
1610
1611        if sum_weights > 1e-10 {
1612            Ok(exp_weights / sum_weights)
1613        } else {
1614            let n = information_criteria.len();
1615            Ok(Array1::from_elem(n, 1.0 / n as f64))
1616        }
1617    }
1618
1619    /// Calculate weights from cross-validation scores (higher is better)
1620    fn cross_validation_weights(&self, cvscores: &Array1<f64>) -> Result<Array1<f64>> {
1621        // Normalize CV _scores to get weights
1622        let min_score = cvscores.iter().fold(f64::INFINITY, |a, &b| a.min(b));
1623        let shifted_scores: Array1<f64> = cvscores.mapv(|x| x - min_score + 1e-6);
1624        let sum_scores = shifted_scores.sum();
1625
1626        if sum_scores > 1e-10 {
1627            Ok(shifted_scores / sum_scores)
1628        } else {
1629            let n = cvscores.len();
1630            Ok(Array1::from_elem(n, 1.0 / n as f64))
1631        }
1632    }
1633}
1634
1635#[cfg(test)]
1636mod tests {
1637    use super::*;
1638    use scirs2_core::ndarray::Array;
1639
1640    #[test]
1641    fn test_bayesian_model_comparison() {
1642        let comparison = BayesianModelComparison::new();
1643
1644        let log_likelihood_a = Array1::from_vec(vec![-1.0, -1.5, -2.0, -1.2, -1.8]);
1645        let log_likelihood_b = Array1::from_vec(vec![-2.0, -2.5, -3.0, -2.2, -2.8]);
1646
1647        let result = comparison
1648            .compare_models(&log_likelihood_a, &log_likelihood_b, None, None)
1649            .expect("Operation failed");
1650
1651        assert!(result.bayes_factor > 0.0);
1652        assert!(result.evidence_a > result.evidence_b);
1653        assert!(!result.interpretation.is_empty());
1654    }
1655
1656    #[test]
1657    fn test_bayesian_information_criteria() {
1658        let bic_calc = BayesianInformationCriteria::new();
1659
1660        // Create sample log-likelihood matrix: 5 samples, 10 observations
1661        let log_likelihoodsamples =
1662            Array2::from_shape_fn((5, 10), |(i, j)| -1.0 - 0.1 * i as f64 - 0.05 * j as f64);
1663
1664        let result = bic_calc
1665            .evaluate_model(&log_likelihoodsamples, 3, 10)
1666            .expect("Operation failed");
1667
1668        assert!(result.waic > 0.0);
1669        assert!(result.loo_cv > 0.0);
1670        assert!(result.bic > 0.0);
1671        // DIC can be negative, so we just check it's finite
1672        assert!(result.dic.is_finite());
1673        assert!(result.p_waic >= 0.0);
1674    }
1675
1676    #[test]
1677    fn test_posterior_predictive_check() {
1678        let ppc = PosteriorPredictiveCheck::new().with_test_statistic(TestStatisticType::Mean);
1679
1680        let observed_data = Array1::from_vec(vec![1.0, 2.0, 3.0, 4.0, 5.0]);
1681        let posterior_samples =
1682            Array2::from_shape_fn((100, 5), |(i, j)| 1.0 + j as f64 + 0.1 * (i as f64 - 50.0));
1683
1684        let result = ppc
1685            .check_model_adequacy(&observed_data, &posterior_samples)
1686            .expect("Operation failed");
1687
1688        assert!(result.bayesian_p_value >= 0.0 && result.bayesian_p_value <= 1.0);
1689        assert!(result.tail_probability >= 0.0 && result.tail_probability <= 1.0);
1690        assert!(
1691            !result.model_adequate
1692                || (result.bayesian_p_value > 0.05 && result.bayesian_p_value < 0.95)
1693        );
1694    }
1695
1696    #[test]
1697    fn test_credible_interval_calculator() {
1698        let ci_calc = CredibleIntervalCalculator::new()
1699            .with_credible_level(0.95)
1700            .expect("Operation failed")
1701            .with_null_value(0.0);
1702
1703        let posterior_samples =
1704            Array1::from_vec(vec![-0.5, -0.2, 0.1, 0.3, 0.5, 0.7, 0.9, 1.1, 1.3, 1.5]);
1705
1706        let result = ci_calc
1707            .calculate_intervals(&posterior_samples)
1708            .expect("Operation failed");
1709
1710        assert!(result.lower_bound < result.upper_bound);
1711        assert!(result.credible_level == 0.95);
1712        assert!(result.posterior_mean > 0.0);
1713        assert!(result.hpd_interval.0 <= result.hpd_interval.1);
1714    }
1715
1716    #[test]
1717    fn test_bayesian_model_averaging() {
1718        let bma = BayesianModelAveraging::new()
1719            .with_weighting_method(ModelWeightingMethod::InformationCriteria);
1720
1721        // 3 models, 5 observations
1722        let predictions = Array2::from_shape_vec(
1723            (3, 5),
1724            vec![
1725                1.0, 2.0, 3.0, 4.0, 5.0, // Model 1
1726                1.1, 2.1, 2.9, 4.1, 4.9, // Model 2
1727                0.9, 1.9, 3.1, 3.9, 5.1, // Model 3
1728            ],
1729        )
1730        .expect("Operation failed");
1731
1732        let modelscores = Array1::from_vec(vec![100.0, 102.0, 105.0]); // Information criteria
1733
1734        let result = bma
1735            .average_models(&predictions, &modelscores)
1736            .expect("Operation failed");
1737
1738        assert_eq!(result.averaged_prediction.len(), 5);
1739        assert_eq!(result.model_weights.len(), 3);
1740        assert!((result.model_weights.sum() - 1.0).abs() < 1e-6);
1741        assert_eq!(result.model_uncertainty.len(), 5);
1742    }
1743
1744    #[test]
1745    fn test_bayes_factor_interpretation() {
1746        // Test different ranges of Bayes factors
1747        assert!(BayesianModelComparison::interpret_bayes_factor(0.5).contains("favors B"));
1748        assert!(BayesianModelComparison::interpret_bayes_factor(2.0)
1749            .contains("Barely worth mentioning"));
1750        assert!(
1751            BayesianModelComparison::interpret_bayes_factor(15.0).contains("Strong evidence for A")
1752        );
1753        assert!(BayesianModelComparison::interpret_bayes_factor(150.0)
1754            .contains("Extreme evidence for A"));
1755    }
1756
1757    #[test]
1758    fn test_evidence_methods() {
1759        let _comparison = BayesianModelComparison::new();
1760        let log_likelihood = Array1::from_vec(vec![-1.0, -1.5, -2.0, -1.2, -1.8]);
1761
1762        // Test different evidence estimation methods
1763        let methods = vec![
1764            EvidenceMethod::HarmonicMean,
1765            EvidenceMethod::ThermodynamicIntegration,
1766            EvidenceMethod::BridgeSampling,
1767            EvidenceMethod::NestedSampling,
1768        ];
1769
1770        for method in methods {
1771            let comparison_with_method =
1772                BayesianModelComparison::new().with_evidence_method(method);
1773            let evidence = comparison_with_method
1774                .estimate_evidence(&log_likelihood, None)
1775                .expect("Operation failed");
1776            assert!(evidence.is_finite());
1777        }
1778    }
1779}