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// Copyright 2016 Johannes Köster. // Licensed under the MIT license (http://opensource.org/licenses/MIT) // This file may not be copied, modified, or distributed // except according to those terms. //! Support for discrete probability distributions in terms of cumulative distribution //! functions (CDF). //! //! # Examples //! //! Example usage of all CDF functions: //! ``` //! use approx::assert_relative_eq; //! use bio::stats::probs::cdf::{Entry, CDF}; //! use bio::stats::probs::{LogProb, Prob}; //! use ordered_float::NotNan; //! use std::ops::Range; //! // pmf1 is an example PMF with `LogProb(0.0)` at `0`, with `LogProb(0.1)` //! // at `{1, 2, ..., 8}` and LogProb(0.2) at `10` //! let mut pmf1 = vec![Entry::new(0, LogProb((0.0 as f64).ln()))]; //! for i in 1..=8 { //! pmf1.push(Entry::new(i, LogProb((0.1 as f64).ln()))); //! } //! pmf1.push(Entry::new(10, LogProb((0.2 as f64).ln()))); //! //! // create the cumulative distribution function from the probability mass function //! let cdf = CDF::from_pmf(pmf1.clone()); //! assert_relative_eq!(*cdf.get(&0).unwrap(), (0.0 as f64).ln(), epsilon = 0.0); //! assert_relative_eq!( //! *cdf.get(&3).unwrap(), //! (0.3 as f64).ln(), //! epsilon = 0.0000000001 //! ); //! //! // get back the original probability mass value at 7 //! assert_relative_eq!( //! *cdf.get_pmf(&7).unwrap(), //! (0.1 as f64).ln(), //! epsilon = 0.00001 //! ); //! //! // Check that cdf sums up to 1.0 //! assert_relative_eq!( //! f64::from(cdf.total_prob()), //! (1.0 as f64).ln(), //! epsilon = 0.0 //! ); //! //! // copy a CDF via its iter() function //! let mut cdf_copy = CDF::from_cdf(cdf.iter().cloned()); //! assert_eq!(cdf.len(), cdf_copy.len()); //! //! // get the maximum a posteriori probability estimate //! assert_eq!(cdf_copy.map().unwrap(), &10); //! //! // get the 50% credible interval //! assert_eq!(cdf_copy.credible_interval(0.5).unwrap(), &2..&8); //! //! // cdf_vec is an example Entry vector with `LogProb(0.0)` at `ordered_float::NotNan` //! // values `{0.0, 1.0, 2.0}` and increasing by `LogProb(0.2)` at each to `{3.0, 4.0, ..., 7.0}` //! let mut cdf_vec = Vec::new(); //! for i in 0..=2 { //! cdf_vec.push(Entry::new( //! NotNan::new(i as f64).unwrap(), //! LogProb::ln_zero(), //! )) //! } //! for i in 3..=7 { //! cdf_vec.push(Entry::new( //! NotNan::new(i as f64).unwrap(), //! LogProb(((i - 2) as f64 * 0.2f64).ln()), //! )); //! } //! //! // create cdf from vector of `Entry`s //! let mut cdf_from_vec = CDF::from_cdf(cdf_vec.into_iter()); //! //! assert_relative_eq!( //! *cdf_from_vec.get(&NotNan::new(2.0).unwrap()).unwrap(), //! LogProb::ln_zero(), //! epsilon = 0.0 //! ); //! assert_relative_eq!( //! *cdf_from_vec.get(&NotNan::new(4.0).unwrap()).unwrap(), //! LogProb((0.4 as f64).ln()), //! epsilon = 0.0 //! ); //! //! // get the number of `Entry`s in cdf_from_vec //! assert_eq!(cdf_from_vec.len(), 8); //! //! // remove three zero values at `{0.0, 1.0, 2.0}` with `CDF::reduce()` //! cdf_from_vec = CDF::reduce(cdf_from_vec); //! assert_eq!(cdf_from_vec.len(), 5); //! ``` use std::f64; use std::iter; use std::ops::Range; use std::slice; use itertools::Itertools; use ordered_float::OrderedFloat; use crate::stats::LogProb; /// An `Entry` associates a `LogProb` with a value on an ordered axis. It can for example be /// used to set up probability mass functions or cumulative distribution functions ([CDF](struct.CDF)). #[derive(Debug, Clone, Serialize, Deserialize)] pub struct Entry<T: Ord> { /// A `value` on the ordered axis, which has to have the Trait [`std::cmp::Ord`](https://doc.rust-lang.org/std/cmp/trait.Ord.html) implemented. pub value: T, /// A probability at that `value` / point x on the x-axis. pub prob: LogProb, } impl<T: Ord> Entry<T> { /// Create a new `Entry` for `prob` at `value`. /// /// `value` needs to have the Trait [`std::cmp::Ord`](https://doc.rust-lang.org/std/cmp/trait.Ord.html) /// implemented. As `f64` only has PartialOrd, use something like the [`ordered_float` crate](https://docs.rs/ordered-float/1.0.2/ordered_float/) /// if you want to use floating point numbers. /// /// # Example /// /// ``` /// use bio::stats::probs::cdf::Entry; /// use bio::stats::LogProb; /// let entry = Entry::new(5, LogProb(0.6)); /// assert_eq!(entry.value, 5); /// assert_eq!(entry.prob, LogProb(0.6)); /// ``` pub fn new(value: T, prob: LogProb) -> Self { Entry { value, prob } } } /// Implementation of a cumulative distribution function as a vector of `Entry`s. #[derive(Debug, Clone, Serialize, Deserialize)] pub struct CDF<T: Ord> { inner: Vec<Entry<T>>, } impl<T: Ord> CDF<T> { /// Create CDF from a vector representing a probability mass function (PMF). /// The PMF may contain duplicate values the probabilities of which are summed /// during generation of the CDF. /// /// Runtime complexity: O(n log n), where n is the number of `entries`. /// /// # Arguments /// /// * `entries` - The PMF as a vector of `Entry` objects (values with an associated `LogProb`). pub fn from_pmf(mut entries: Vec<Entry<T>>) -> Self { entries.sort_by(|a, b| a.value.cmp(&b.value)); let mut inner: Vec<Entry<T>> = Vec::new(); for mut e in entries { let p = inner .last() .map_or(LogProb::ln_zero(), |e| e.prob) .ln_add_exp(e.prob); if !inner.is_empty() && inner.last().unwrap().value == e.value { inner.last_mut().unwrap().prob = p; } else { e.prob = p; inner.push(e); } } let mut cdf = CDF { inner }; // cap at prob=1.0 if there are slightly exceeding values due to numerical issues. for e in &mut cdf.inner { e.prob = e.prob.cap_numerical_overshoot(0.00001); } cdf } /// Create CDF from iterator. This can be used to replace the values of a CDF. /// /// Runtime complexity: O(n), where n is the number of `entries`. /// /// # Arguments /// /// * `entries` - An iterator over `Entry<T>` values, where T requires pub fn from_cdf<I: Iterator<Item = Entry<T>>>(entries: I) -> Self { CDF { inner: entries.collect_vec(), } } /// Reduce CDF by omitting values with zero probability. /// /// Runtime complexity: O(n), where n is the number of `value`s with `prob` of zero. pub fn reduce(self) -> Self { let mut inner = Vec::new(); let mut last = LogProb::ln_zero(); for e in self.inner { if last != e.prob { last = e.prob; inner.push(e); } } CDF { inner } } /// Downsample CDF to n entries. Panics if n <= 1 and returns identity if n is greater /// than the number of entries. /// /// Runtime complexity: O(m), where m is the original number of `Entry`s in `CDF`. /// /// # Arguments /// /// * `n` - Number of entries after downsampling. pub fn sample(mut self, n: usize) -> Self { assert!(n > 1); if self.inner.len() <= n { self } else { let s = self.inner.len() / (n - 1); let last = self.inner.pop().unwrap(); let mut inner = self.inner.into_iter().step_by(s).collect_vec(); inner.push(last); CDF { inner } } } /// Provide an iterator for the CDF. pub fn iter(&self) -> slice::Iter<'_, Entry<T>> { self.inner.iter() } /// Provide a mutable iterator over entries. /// /// This does not check for consistency. In other words, you /// should not change the order of the entries, nor the probabilities! pub fn iter_mut(&mut self) -> slice::IterMut<'_, Entry<T>> { self.inner.iter_mut() } /// Provide an iterator over the PMF corresponding to this CDF. pub fn iter_pmf(&self) -> CDFPMFIter<'_, T> { fn cdf_to_pmf<'a, G: Ord>( last_prob: &mut LogProb, e: &'a Entry<G>, ) -> Option<Entry<&'a G>> { let prob = e.prob.ln_sub_exp(*last_prob); *last_prob = e.prob; Some(Entry::new(&e.value, prob)) } self.inner.iter().scan(LogProb::ln_zero(), cdf_to_pmf) } /// Get cumulative probability for a given value. /// /// If the value is not present, return the probability of the previous value. /// Time complexity: O(log n), where n is the number of `Entry`s in `CDF`. /// /// # Arguments /// /// * `value` - A value at which you're interested in the cumulative probability. pub fn get(&self, value: &T) -> Option<LogProb> { if self.inner.is_empty() { None } else { Some(match self.inner.binary_search_by(|e| e.value.cmp(value)) { Ok(i) => self.inner[i].prob, Err(i) => { if i > 0 { self.inner[i - 1].prob } else { LogProb::ln_zero() } } }) } } /// Get probability (i.e. probability mass) for a given `value`. /// /// Time complexity: O(log n), where n is the number of `Entry`s in `CDF`. pub fn get_pmf(&self, value: &T) -> Option<LogProb> { if self.inner.is_empty() { None } else { Some(match self.inner.binary_search_by(|e| e.value.cmp(value)) { Ok(i) => { if i > 0 { self.inner[i].prob.ln_sub_exp(self.inner[i - 1].prob) } else { self.inner[0].prob } } Err(i) => { if i > 0 { self.inner[i - 1].prob } else { LogProb::ln_zero() } } }) } } /// Return total probability of the `CDF`. /// /// Time complexity: O(1). pub fn total_prob(&self) -> LogProb { self.inner.last().map_or(LogProb::ln_zero(), |e| e.prob) } /// Return maximum a posteriori probability estimate (MAP). /// /// Time complexity: O(n), where n is the number of `Entry`s in `CDF`. pub fn map(&self) -> Option<&T> { if let Some(mut max) = self.iter_pmf().next() { for e in self.iter_pmf() { if e.prob >= max.prob { max = e; } } Some(max.value) } else { None } } /// Return w%-credible interval. The width w is a float between 0 and 1. Panics otherwise. /// E.g. provide `width=0.95` for the 95% credible interval. /// /// Runtime complexity: O(log n), where n is the number of `Entry`s in `CDF`. /// /// # Arguments /// /// * `width` - wanted width of the credible interval as a fraction of 1. pub fn credible_interval(&self, width: f64) -> Option<Range<&T>> { assert!((0.0..=1.0).contains(&width)); if self.inner.is_empty() { return None; } let margin = 1.0 - width; let p_lower = OrderedFloat((margin / 2.0).ln()); let p_upper = OrderedFloat((1.0 - margin / 2.0).ln()); let lower = self .inner .binary_search_by(|e| OrderedFloat(*e.prob).cmp(&p_lower)) .unwrap_or_else(|i| if i > 0 { i - 1 } else { 0 }); let mut upper = self .inner .binary_search_by(|e| OrderedFloat(*e.prob).cmp(&p_upper)) .unwrap_or_else(|i| i); if upper == self.inner.len() { upper -= 1; } Some(&self.inner[lower].value..&self.inner[upper].value) } /// Number of `Entry`s in the `CDF`. /// /// Time complexity: O(1) pub fn len(&self) -> usize { self.inner.len() } /// Returns `true` if a CDF is empty, false otherwise. /// /// Time complexity: O(1) pub fn is_empty(&self) -> bool { self.inner.is_empty() } } impl<T: Clone + Ord> CDF<T> where f64: From<T>, { /// Calculate expected value. /// /// Runtime complexity: O(n), where n is the number of `Entry`s in `CDF`. pub fn expected_value(&self) -> f64 { self.iter_pmf() .map(|e| f64::from(e.value.clone()) * e.prob.exp()) .fold(0.0f64, |s, e| s + e) } /// Calculate variance. /// /// Runtime complexity: O(n), where n is the number of `Entry`s in `CDF`. pub fn variance(&self) -> f64 { let ev = self.expected_value(); self.iter_pmf() .map(|e| (f64::from(e.value.clone()) - ev).powi(2) * e.prob.exp()) .fold(0.0, |s, e| s + e) } /// Calculate standard deviation. /// /// Runtime complexity: O(n), where n is the number of `Entry`s in `CDF`. pub fn standard_deviation(&self) -> f64 { self.variance().sqrt() } } pub type CDFPMFIter<'a, T> = iter::Scan< slice::Iter<'a, Entry<T>>, LogProb, fn(&mut LogProb, &'a Entry<T>) -> Option<Entry<&'a T>>, >; #[cfg(test)] mod test { use super::*; use crate::stats::LogProb; use ordered_float::NotNan; #[test] fn test_cdf() { let mut pmf = vec![Entry::new(NotNan::new(0.0).unwrap(), LogProb(0.1f64.ln()))]; for i in 0..9 { pmf.push(Entry::new( NotNan::new(i as f64).unwrap(), LogProb(0.1f64.ln()), )); } println!("{:?}", pmf); let cdf = CDF::from_pmf(pmf.clone()); println!("{:?}", cdf); for e in pmf.iter().skip(2) { assert_relative_eq!(*e.prob, *cdf.get_pmf(&e.value).unwrap(), epsilon = 0.000003); } assert_relative_eq!(*cdf.total_prob(), 1.0f64.ln()); assert_relative_eq!( *cdf.get(&NotNan::new(1.0).unwrap()).unwrap(), 0.3f64.ln(), epsilon = 0.00000001 ); { let ci = cdf.credible_interval(0.95).unwrap(); assert_relative_eq!(**ci.start, 0.0); assert_relative_eq!(**ci.end, 8.0); } { for e in cdf.iter_pmf() { assert_relative_eq!( e.prob.exp(), if **e.value == 0.0 { 0.2 } else { 0.1 }, epsilon = 0.0001 ); } } assert_relative_eq!(cdf.sample(5).total_prob().exp(), 1.0); } }