tensorlogic-quantrs-hooks 0.1.0

Probabilistic graphical model and message-passing interoperability for QuantRS2
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
//! Beta natural parameters for Variational Message Passing.
//!
//! The Beta distribution `Beta(α, β)` with α > 0 and β > 0 is the conjugate
//! prior for the success probability of a Bernoulli / Binomial likelihood. In
//! exponential family form:
//!
//! ```text
//!   p(x | α, β) = (Γ(α + β) / (Γ(α) Γ(β))) · x^{α-1} (1 - x)^{β-1}   (0 < x < 1)
//!                = h(x) · exp(ηᵀ u(x) − A(η))
//! ```
//!
//! with base measure `h(x) = 1` on `(0, 1)`, natural parameters
//! `η = (α − 1, β − 1)`, sufficient statistics `u(x) = (log x, log(1 − x))`, and
//! log partition `A(η) = ln Γ(η₁ + 1) + ln Γ(η₂ + 1) − ln Γ(η₁ + η₂ + 2)`.
//!
//! The struct stores α and β directly for ergonomics; conversion to/from the
//! natural-parameter vector is handled at the [`ExponentialFamily`] trait
//! boundary.
//!
//! # Conjugacy cheat-sheet
//!
//! | Conjugate family | Observation likelihood              |
//! |------------------|-------------------------------------|
//! | Bernoulli        | `y ~ Bernoulli(p)`, p ~ Beta         |
//! | Binomial         | `y ~ Binomial(N, p)`, p ~ Beta       |
//!
//! Only the Bernoulli pairing is wired into the VMP engine in v0.2.0; Binomial
//! can be added with the same machinery (it contributes `(n_s, n_f)` to the
//! natural parameters, just like a batch of Bernoulli draws).

use crate::error::{PgmError, Result};

use super::exponential_family::ExponentialFamily;
use super::special::{digamma, ln_gamma};

/// Beta distribution stored in (α, β) moment parameterisation.
///
/// Natural parameters are `η = (α − 1, β − 1)`. Both α and β must be strictly
/// positive and finite for the distribution to be well-defined; the constructor
/// and [`ExponentialFamily::set_natural`] reject values outside that open
/// positive quadrant.
#[derive(Clone, Debug)]
pub struct BetaNP {
    /// Shape parameter α > 0.
    pub alpha: f64,
    /// Shape parameter β > 0.
    pub beta: f64,
}

impl BetaNP {
    /// Construct from moment parameters (α, β). Both must be strictly positive
    /// and finite.
    pub fn new(alpha: f64, beta: f64) -> Result<Self> {
        if !alpha.is_finite() || alpha <= 0.0 {
            return Err(PgmError::InvalidDistribution(format!(
                "Beta shape α must be positive and finite (got {})",
                alpha
            )));
        }
        if !beta.is_finite() || beta <= 0.0 {
            return Err(PgmError::InvalidDistribution(format!(
                "Beta shape β must be positive and finite (got {})",
                beta
            )));
        }
        Ok(Self { alpha, beta })
    }

    /// Reconstruct a Beta from natural parameters `η = (α − 1, β − 1)`.
    pub fn from_natural(natural: &[f64]) -> Result<Self> {
        if natural.len() != 2 {
            return Err(PgmError::DimensionMismatch {
                expected: vec![2],
                got: vec![natural.len()],
            });
        }
        let alpha = natural[0] + 1.0;
        let beta = natural[1] + 1.0;
        Self::new(alpha, beta)
    }

    /// Expected value `E[x] = α / (α + β)`.
    pub fn expected_x(&self) -> f64 {
        self.alpha / (self.alpha + self.beta)
    }

    /// Expected log value `E[log x] = ψ(α) − ψ(α + β)`.
    pub fn expected_log_x(&self) -> f64 {
        digamma(self.alpha) - digamma(self.alpha + self.beta)
    }

    /// Expected log of the complement `E[log(1 − x)] = ψ(β) − ψ(α + β)`.
    pub fn expected_log_1mx(&self) -> f64 {
        digamma(self.beta) - digamma(self.alpha + self.beta)
    }

    /// Variance `Var[x] = α β / ((α + β)² (α + β + 1))`.
    pub fn variance(&self) -> f64 {
        let ab = self.alpha + self.beta;
        self.alpha * self.beta / (ab * ab * (ab + 1.0))
    }

    /// Sum the natural parameters of `self` and `other`. Corresponds to the
    /// pointwise product of densities: if both priors are Beta on the same
    /// variable, their product is another Beta whose natural parameter is the
    /// sum of the two input natural parameters.
    ///
    /// Concretely: `α_new = α₁ + α₂ − 1` and `β_new = β₁ + β₂ − 1`.
    pub fn multiply_naturals(&self, other: &BetaNP) -> Result<BetaNP> {
        let alpha = self.alpha + other.alpha - 1.0;
        let beta = self.beta + other.beta - 1.0;
        BetaNP::new(alpha, beta)
    }

    /// Closed-form KL divergence `KL(Beta(α_p, β_p) || Beta(α_q, β_q))`.
    ///
    /// Standard result:
    ///
    /// ```text
    ///   KL = ln B(α_q, β_q) − ln B(α_p, β_p)
    ///        + (α_p − α_q) ψ(α_p)
    ///        + (β_p − β_q) ψ(β_p)
    ///        + (α_q − α_p + β_q − β_p) ψ(α_p + β_p)
    /// ```
    ///
    /// where `ln B(a, b) = ln Γ(a) + ln Γ(b) − ln Γ(a + b)`.
    pub fn kl_to(&self, other: &BetaNP) -> f64 {
        let ap = self.alpha;
        let bp = self.beta;
        let aq = other.alpha;
        let bq = other.beta;
        let ln_beta_p = ln_gamma(ap) + ln_gamma(bp) - ln_gamma(ap + bp);
        let ln_beta_q = ln_gamma(aq) + ln_gamma(bq) - ln_gamma(aq + bq);
        let psi_ap = digamma(ap);
        let psi_bp = digamma(bp);
        let psi_abp = digamma(ap + bp);
        ln_beta_q - ln_beta_p
            + (ap - aq) * psi_ap
            + (bp - bq) * psi_bp
            + (aq - ap + bq - bp) * psi_abp
    }
}

impl ExponentialFamily for BetaNP {
    fn family_name(&self) -> &'static str {
        "Beta"
    }

    fn natural_dim(&self) -> usize {
        2
    }

    fn natural_params(&self) -> Vec<f64> {
        vec![self.alpha - 1.0, self.beta - 1.0]
    }

    fn set_natural(&mut self, new_eta: &[f64]) -> Result<()> {
        if new_eta.len() != 2 {
            return Err(PgmError::DimensionMismatch {
                expected: vec![2],
                got: vec![new_eta.len()],
            });
        }
        for &v in new_eta {
            if !v.is_finite() {
                return Err(PgmError::InvalidDistribution(
                    "Beta natural parameter must be finite".to_string(),
                ));
            }
        }
        let alpha = new_eta[0] + 1.0;
        let beta = new_eta[1] + 1.0;
        if alpha <= 0.0 {
            return Err(PgmError::InvalidDistribution(format!(
                "Beta shape α must stay positive (η₁ + 1 = {} ≤ 0)",
                alpha
            )));
        }
        if beta <= 0.0 {
            return Err(PgmError::InvalidDistribution(format!(
                "Beta shape β must stay positive (η₂ + 1 = {} ≤ 0)",
                beta
            )));
        }
        self.alpha = alpha;
        self.beta = beta;
        Ok(())
    }

    fn sufficient_statistics(&self, value: f64) -> Vec<f64> {
        // u(x) = (log x, log(1 - x)). For `value` outside (0, 1) the stat is
        // degenerate; we return NEG_INFINITY rather than panicking so the
        // caller can detect the bad input.
        if value > 0.0 && value < 1.0 {
            vec![value.ln(), (1.0 - value).ln()]
        } else {
            vec![f64::NEG_INFINITY, f64::NEG_INFINITY]
        }
    }

    fn log_partition(&self, natural_params: &[f64]) -> Result<f64> {
        if natural_params.len() != 2 {
            return Err(PgmError::DimensionMismatch {
                expected: vec![2],
                got: vec![natural_params.len()],
            });
        }
        let alpha = natural_params[0] + 1.0;
        let beta = natural_params[1] + 1.0;
        if alpha <= 0.0 || beta <= 0.0 {
            return Err(PgmError::InvalidDistribution(format!(
                "Beta log_partition: α = {} and β = {} must both be positive",
                alpha, beta
            )));
        }
        // A(η) = ln Γ(α) + ln Γ(β) − ln Γ(α + β).
        Ok(ln_gamma(alpha) + ln_gamma(beta) - ln_gamma(alpha + beta))
    }

    fn expected_sufficient_statistics(&self) -> Vec<f64> {
        // E[u(x)] = (E[log x], E[log(1-x)]) = (ψ(α) − ψ(α+β), ψ(β) − ψ(α+β)).
        vec![self.expected_log_x(), self.expected_log_1mx()]
    }
}

/// Beta-Bernoulli conjugate posterior update.
///
/// Given a `Beta(α_prior, β_prior)` prior on the Bernoulli success probability
/// `p` and observed `successes` successes plus `failures` failures, the exact
/// posterior is `Beta(α_prior + successes, β_prior + failures)`.
///
/// This is exact because Bernoulli is conjugate to Beta; the update adds the
/// observation-dependent sufficient statistics `(n_s, n_f)` into the natural
/// parameters `(α − 1, β − 1)` of the prior.
pub fn posterior_from_prior_and_observations(
    prior: &BetaNP,
    successes: u64,
    failures: u64,
) -> Result<BetaNP> {
    let posterior_alpha = prior.alpha + successes as f64;
    let posterior_beta = prior.beta + failures as f64;
    BetaNP::new(posterior_alpha, posterior_beta)
}

/// `BetaBernoulliObservation` captures a Bernoulli likelihood `y ~ Bernoulli(p)`
/// where the success probability `p` is a `BetaNP` variable. It contributes
/// `(n_s, n_f)` to the posterior natural parameters, i.e. adds `n_s` to
/// `(α − 1)` and `n_f` to `(β − 1)`.
///
/// A factor holds a reference to its Beta-distributed probability variable and
/// a (possibly empty) batch of binary outcomes. Posterior inference combining
/// prior + factor is exact in one VMP sweep because Bernoulli is conjugate to
/// Beta.
#[derive(Clone, Debug)]
pub struct BetaBernoulliObservation {
    /// Name of the `BetaNP` variable in the VMP graph.
    pub probability_variable: String,
    /// Observed binary outcomes (true = success, false = failure).
    pub observations: Vec<bool>,
}

impl BetaBernoulliObservation {
    /// Build a new Beta-Bernoulli observation factor from a boolean batch.
    pub fn new(probability_variable: impl Into<String>, observations: Vec<bool>) -> Self {
        Self {
            probability_variable: probability_variable.into(),
            observations,
        }
    }

    /// Convenience constructor from aggregate counts. Often you already have
    /// the sufficient statistics as `(n_s, n_f)` without keeping the raw batch.
    pub fn from_counts(
        probability_variable: impl Into<String>,
        successes: u64,
        failures: u64,
    ) -> Self {
        let mut observations = Vec::with_capacity((successes + failures) as usize);
        observations.extend(std::iter::repeat_n(true, successes as usize));
        observations.extend(std::iter::repeat_n(false, failures as usize));
        Self {
            probability_variable: probability_variable.into(),
            observations,
        }
    }

    /// Number of successes n_s = Σ 1[y_i = 1]. Used as the α-parameter increment.
    pub fn num_successes(&self) -> u64 {
        self.observations.iter().filter(|b| **b).count() as u64
    }

    /// Number of failures n_f = Σ 1[y_i = 0]. Used as the β-parameter increment.
    pub fn num_failures(&self) -> u64 {
        self.observations.iter().filter(|b| !**b).count() as u64
    }

    /// Total number of observations N = n_s + n_f.
    pub fn num_observations(&self) -> usize {
        self.observations.len()
    }
}

#[cfg(test)]
mod tests {
    use super::*;
    use crate::vmp::special::{digamma, ln_gamma};

    #[test]
    fn beta_expected_x_matches_alpha_over_total() {
        for &(alpha, beta) in &[(1.0_f64, 1.0_f64), (2.0, 3.0), (4.5, 0.5), (0.25, 10.0)] {
            let b = BetaNP::new(alpha, beta).expect("ctor");
            let ex = b.expected_x();
            let expected = alpha / (alpha + beta);
            assert!(
                (ex - expected).abs() < 1e-12,
                "E[x] = {} but α/(α+β) = {}",
                ex,
                expected
            );
        }
    }

    #[test]
    fn beta_expected_log_x_and_1mx_match_digamma() {
        for &(alpha, beta) in &[(1.0_f64, 1.0_f64), (2.5, 1.5), (4.0, 2.0)] {
            let b = BetaNP::new(alpha, beta).expect("ctor");
            let el_x = b.expected_log_x();
            let el_1mx = b.expected_log_1mx();
            let expected_log_x = digamma(alpha) - digamma(alpha + beta);
            let expected_log_1mx = digamma(beta) - digamma(alpha + beta);
            assert!((el_x - expected_log_x).abs() < 1e-12);
            assert!((el_1mx - expected_log_1mx).abs() < 1e-12);
        }
    }

    #[test]
    fn beta_multiply_naturals_sums_natural_params() {
        // Beta(2, 3) has η = (1, 2); Beta(3, 5) has η = (2, 4).
        // Sum = (3, 6), i.e. Beta(4, 7).
        let a = BetaNP::new(2.0, 3.0).expect("ctor a");
        let c = BetaNP::new(3.0, 5.0).expect("ctor b");
        let p = a.multiply_naturals(&c).expect("product");
        assert!((p.alpha - 4.0).abs() < 1e-12, "α = {}", p.alpha);
        assert!((p.beta - 7.0).abs() < 1e-12, "β = {}", p.beta);
        // Round-trip through natural parameters.
        let eta_a = a.natural_params();
        let eta_c = c.natural_params();
        let eta_sum: Vec<f64> = eta_a.iter().zip(eta_c.iter()).map(|(x, y)| x + y).collect();
        let p2 = BetaNP::from_natural(&eta_sum).expect("from nat");
        assert!((p2.alpha - p.alpha).abs() < 1e-12);
        assert!((p2.beta - p.beta).abs() < 1e-12);
    }

    #[test]
    fn beta_kl_is_zero_for_self_positive_otherwise() {
        let b = BetaNP::new(3.0, 2.0).expect("ctor");
        let self_kl = b.kl_to(&b);
        assert!(self_kl.abs() < 1e-10, "KL(b||b) = {}", self_kl);

        let other = BetaNP::new(1.5, 4.0).expect("ctor other");
        let kl = b.kl_to(&other);
        assert!(kl > 0.0, "KL(b||other) should be positive, got {}", kl);

        let kl_rev = other.kl_to(&b);
        assert!(
            kl_rev > 0.0,
            "KL(other||b) should be positive, got {}",
            kl_rev
        );
    }

    #[test]
    fn beta_bernoulli_posterior_adds_counts() {
        // Beta(1, 1) + 7 successes, 3 failures → Beta(8, 4).
        let prior = BetaNP::new(1.0, 1.0).expect("prior");
        let post = posterior_from_prior_and_observations(&prior, 7, 3).expect("posterior");
        assert!((post.alpha - 8.0).abs() < 1e-12, "α = {}", post.alpha);
        assert!((post.beta - 4.0).abs() < 1e-12, "β = {}", post.beta);
    }

    #[test]
    fn beta_log_partition_matches_closed_form() {
        // A(η) = ln Γ(α) + ln Γ(β) − ln Γ(α + β).
        let b = BetaNP::new(2.5, 3.0).expect("ctor");
        let eta = b.natural_params();
        let a = b.log_partition(&eta).expect("lp");
        let expected = ln_gamma(2.5) + ln_gamma(3.0) - ln_gamma(5.5);
        assert!(
            (a - expected).abs() < 1e-12,
            "A(η) = {}, expected {}",
            a,
            expected
        );

        // ∂A/∂η₁ = ψ(α) − ψ(α+β) = E[log x] and ∂A/∂η₂ = ψ(β) − ψ(α+β) = E[log(1-x)].
        let h = 1e-6;
        let a_plus_1 = b.log_partition(&[eta[0] + h, eta[1]]).expect("lp+1");
        let a_minus_1 = b.log_partition(&[eta[0] - h, eta[1]]).expect("lp-1");
        let d1 = (a_plus_1 - a_minus_1) / (2.0 * h);
        let a_plus_2 = b.log_partition(&[eta[0], eta[1] + h]).expect("lp+2");
        let a_minus_2 = b.log_partition(&[eta[0], eta[1] - h]).expect("lp-2");
        let d2 = (a_plus_2 - a_minus_2) / (2.0 * h);
        assert!(
            (d1 - b.expected_log_x()).abs() < 1e-5,
            "dA/dη1 = {}, expected {}",
            d1,
            b.expected_log_x()
        );
        assert!(
            (d2 - b.expected_log_1mx()).abs() < 1e-5,
            "dA/dη2 = {}, expected {}",
            d2,
            b.expected_log_1mx()
        );
    }

    #[test]
    fn beta_natural_round_trip() {
        let b = BetaNP::new(4.5, 2.25).expect("ctor");
        let eta = b.natural_params();
        let back = BetaNP::from_natural(&eta).expect("round trip");
        assert!((back.alpha - 4.5).abs() < 1e-12);
        assert!((back.beta - 2.25).abs() < 1e-12);
    }

    #[test]
    fn beta_set_natural_rejects_invalid_shapes() {
        let mut b = BetaNP::new(2.0, 2.0).expect("ctor");
        // α = 1 + (-1.5) = -0.5 < 0
        let err = b.set_natural(&[-1.5, 0.0]);
        assert!(err.is_err());
        // β = 1 + (-2.0) = -1.0 < 0
        let err = b.set_natural(&[0.0, -2.0]);
        assert!(err.is_err());
        // NaN
        let err = b.set_natural(&[f64::NAN, 0.0]);
        assert!(err.is_err());
        // Wrong length
        let err = b.set_natural(&[0.1]);
        assert!(err.is_err());
        // Valid.
        let ok = b.set_natural(&[0.5, 1.5]);
        assert!(ok.is_ok());
        assert!((b.alpha - 1.5).abs() < 1e-12);
        assert!((b.beta - 2.5).abs() < 1e-12);
    }

    #[test]
    fn beta_bernoulli_observation_counts() {
        let obs = BetaBernoulliObservation::new("p", vec![true, false, true, true, false, true]);
        assert_eq!(obs.num_successes(), 4);
        assert_eq!(obs.num_failures(), 2);
        assert_eq!(obs.num_observations(), 6);

        let from_counts = BetaBernoulliObservation::from_counts("p", 5, 3);
        assert_eq!(from_counts.num_successes(), 5);
        assert_eq!(from_counts.num_failures(), 3);
        assert_eq!(from_counts.num_observations(), 8);
    }
}