File: Coalescent.hs

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module Probability.Distribution.Tree.Coalescent where

import           Tree
import           Probability.Random
import           Probability.Distribution.Tree.Modifiable
import           Probability.Distribution.Tree.UniformTimeTree
import           Probability.Distribution.Tree.Util
import           Probability.Distribution.Exponential
import qualified Data.IntMap as IntMap
import           Data.Text (Text)
import           MCMC
import           Data.Array

{- NOTE: Time scaling in the coalescent.

Time scale      Coalescent    Mutation     Recombination    Generation       Time

generations       1/N          mu[g]         r[g]              1              1/tau

coalescent         1          N*mu[g]       N*r[g]             N              N/tau
                   1          theta/2        rho/2             N              N/tau

phylogenetic    1/(N*mu[g])      1           r/g             1/mu[g]         1/mu[t]
                 2/(theta)       1         rho/theta         1/mu[g]         1/mu[t]

time units        tau/N        mu[t]         r[t]              tau              1

Definitions:

  * mu[g] = mutation rate per generation (mu/gen)
  * mu[t] = mutatation rate per time unit = mu[g] * tau  (mu/time)
  * tau   = generation time (time/gen)
  * theta = 2*N*mu[g]  (individuals * mu / gen)

For a diploid model, replace N with 2N.

1. The natural scale is in generations.

2. The coalescent timescale allows one to derive the coalescent process as N->\infty.
   But it does creates complications when different populations have different sizes.

   Estimate: theta

3. The phylogenetic scale sets the rate of mutation to 1.
   This works well for multiple populations with different sizes.
   It also works well when we have no time information from serial samples / fossils.

   Estimate: theta

4. If we have serial samples / fossils, we need to use the time scale of the samples.
   We now need to estimates the mutation rate per time.

   Estimate: tau/N, mu[t]

-}


merge cmp [] ys = ys
merge cmp xs [] = xs
merge cmp xxs@(x:xs) yys@(y:ys) | cmp x y   = x:merge cmp xs yys
                                | otherwise = y:merge cmp xxs ys

data CoalEvent = Leaf Int | Internal Int | RateShift Double
nodeType tree node = if isLeafNode tree node then Leaf node else Internal node

instance Show CoalEvent where
    show (Leaf n ) = "Leaf " ++ show n
    show (Internal n ) = "Internal " ++ show n
    show (RateShift r ) = "RateShift " ++ show r

{- NOTE: On changeable sorting

We want an algorithm where the size of intermediate and result lists/arrays is not
changeable when the size of the input list/array is not changeable.  If we don't
do that, then the registration of probability factors can be invalidated, and also
lists/arrays could be reallocated.

The merge algorithm as written above makes it impossible to know that the final
size is independent of the sorting order.

One possibility would be to compute a rank-order from an array of values [2].

- Say we divide the original set of indices into pairs.  We can compute the rank
  order for each index within its pair.
- We could then merge the rank-order for two adjacent ranges [a,b],(b,c] by
  doing something like:
  - rank2!i = rank1!i + numLowerElements i l u
       where (l,u) = bounds of paired subrange
             numLowerElements i l u = binary search for (x!i,i) within l and u

- This should lead to log(N) levels, and at each level we compute an sub-rank
  order for N elements, and computing each rank order takes log(N) time.
  So the total order would be N*log^2(N).

[2] Let's assume that for IntMaps we first convert them to two arrays values!i
    and keys!i.  Then we can compute the order from \i -> (keys!i, order!i).

-}

{- NOTE: Expressing coalescent tree probabilities

What we really want to know is the order o (NodeId -> Int) of the nodes and the
node n (Int->Node) for each rank order the rank order is the number of nodes
that are ranked earlier [1].

Then we can express the probability as

    product [ prNothingHappensIn (t!node1) (t!node2) * rate node | node1 <- getNodes tree,
                                                                   let node2 = n!((o!node)-1)
                                                  ]

Here `rate node` would (1/popSize(t)) for coalescent nodes, and 1 for all other nodes.

We could also do                                                  

    product [ prNothingHappensIn (t!node1) (t!node2) * rate (t!node) (nNodes t!node) | order <- [0..num Nodestree-2],
                                                                                       let node1 = n!order,
                                                                                           node2 = n!(order+1)
            ]

The population size model then needs to be able to calculate
 * Pr(nothing happens in [t1,t2])
 * the instantaneous rate of coalescence at time t.
 * -- if simulating -- the time til the next coalescent event.

But how do we determine the number of tips alive at time t?
I guess for node of rank r, we have \sum i=0 to r-1 is_leaf(i) - is_internal(i) = n_leaves_before(t) - n_coalescents_before(t)
Suppose the number of leaves at time t is L(t).  Then

  order <- [1..numNodes] -- If there are numNodes *nodes*, then there are numNodes-1 *intervals*.
  let node1 = n!(order-1)
      node2 = n!order
      leafEvents = nLeavesAfter (t!node1)
      eventsInInterval = order
      coalescentEvents = events - leafEvents
      activeNodes = leafEvents - coalescentEvents
                  = leafEvents - (events - leafEvents)
                  = 2*leafEvents - events

[1] "ranked earlier" means younger, or the same age and ordered earlier.  Does the order for same-age nodes matter?
Well, Pr(nothing happens) in the middle should always be 1.  But if one of the nodes is a coalescent node, then the
instantaneous coalescent rate would be affected by the order.  But we can require that coalescent nodes never have
the same time as another node.

-}

{- NOTE: Expressing coalescent tree probabilities: multiple populations

   Also, this doesn't handle:
   - multiple demes
   - migration events

   Trees are automatically labeled with coalescent events.  But they aren't automatically labeled with migration events.
   At population merge/split times, we also need to relabel times by deme transitions.
-}

coalescentTreePrFactors ((t0,popSize0):popSizes) tree = [balancedProduct $ go t0 events 0 (1/popSize0) (parentBeforeChildPrs tree) ]
    where nodes = sortOn fst [ (nodeTime tree node, nodeType tree node) | node <- getNodes tree]
          shifts = [(time, RateShift (1/popSize)) | (time, popSize) <- popSizes]
          events = merge (\x y -> fst x < fst y) nodes shifts
          go t1 []                  n rate factors | n == 1    = factors
                                                   | otherwise = error $ "coalescent n == " ++ show n
          go t1 ((t2,event):events) n rate factors =
              case event of
                RateShift newRate -> go t2 events n     newRate (prNothing: factors)
                Leaf _            -> go t2 events (n+1) rate    (prNothing: factors)
                Internal _        -> go t2 events (n-1) rate    (prNothing * toLogDouble rate: factors)
                        -- the nChoose2 from the rate cancels with the one from the topology
              where nChoose2  = fromIntegral $ (n*(n-1)) `div` 2
                    prNothing = expToLogDouble $ (-rate * nChoose2 * (t2-t1))

-------------------------------------------------------------


getCoalescent t rate nodes = do
  let n = length nodes
      nChoose2  = fromIntegral $ (n*(n-1)) `div` 2
      totalRate = nChoose2 * rate
  coal <- remove 2 nodes
  case coal of Nothing -> return Nothing
               Just ([n1,n2],rest) -> do dt <- sample $ exponential (1/totalRate)
                                         return $ Just (t+dt,(n1,n2,rest))
getEvent [] = return Nothing
getEvent ((t,e):es) = return $ Just (t,(e,es))

getNextEvent Nothing        Nothing                  = Nothing
getNextEvent Nothing       (Just (t2,y))             = Just (t2, Right y)
getNextEvent (Just (t1,x)) Nothing                   = Just (t1, Left x)
getNextEvent (Just (t1,x)) (Just (t2,y)) | t1 < t2   = Just (t1, Left x)
                                         | otherwise = Just (t2, Right y)

sampleCoalescentTree leafTimes ((t0,popSize0):popSizes) = do

  let nLeaves = length leafTimes
      firstInternal = 1 + maximum [node | (node, time) <- leafTimes]
      nodes  =  [(time, Leaf node)      | (node, time) <- sortOn snd leafTimes]
      shifts =  [(time, RateShift (1/popSize)) | (time, popSize) <- popSizes]
      events = merge (\x y -> fst x < fst y) nodes shifts

  let go :: Double -> Double -> Int -> [Int] -> [(Double,CoalEvent)] -> ([Int],[(Int,Int)],[(Int,Double)]) -> Random ([Int], [(Int,Int)], [(Int,Double)])
      go t1 rate nextNode activeNodes nextEvents (nodes, edges, nodeTimes) = do
         coal <- getCoalescent t1 rate activeNodes
         event <- getEvent nextEvents
         case getNextEvent coal event of
           Nothing -> return (nodes, edges, nodeTimes)
           Just (t2, Left (n1, n2, rest)) -> goCoal  rate nextNode             nextEvents  (nodes, edges, nodeTimes) (t2, (n1,n2,rest))
           Just (t2, Right (event,events))        -> goEvent rate nextNode activeNodes             (nodes, edges, nodeTimes) (t2, (event, events))

      goCoal rate (coalNode::Int) nextEvents (nodes,edges,nodeTimes) (t2,(n1,n2,rest)) =  go t2 rate nextNode' activeNodes' nextEvents (nodes', edges', nodeTimes')
          where nextNode' = coalNode+1
                activeNodes' = coalNode:rest
                nodes' = coalNode:nodes
                edges' = (n1,coalNode):(n2,coalNode):edges
                nodeTimes' = (coalNode,t2):nodeTimes

      goEvent rate nextNode activeNodes (nodes, edges, nodeTimes) (t2, (Leaf node      , events)) = go t2 rate  nextNode (node:activeNodes) events (node:nodes, edges, (node,t2):nodeTimes)
      goEvent rate nextNode activeNodes (nodes, edges, nodeTimes) (t2, (RateShift rate2, events)) = go t2 rate2 nextNode activeNodes        events (nodes, edges, nodeTimes)

  (nodes, edges, nodeTimes) <- go t0 (1/popSize0) firstInternal [] events ([], [], [])
  let root = head nodes
      topology = addRoot root (treeFromEdges nodes edges)

  return (time_tree topology (IntMap.fromList nodeTimes))

-------------------------------------------------------------

-- FIXME: check that numLeaves tree is not changeable?
coalescentTreeEffect tree = do
  -- Resample all the node times, including the root...
  -- But what if some node times are fixed?
  -- FIXME: check that leaf times are fixed?
  -- sequence_ [ addMove 1 $ sliceSample (nodeTime tree node) (above 0) | node <- internalNodes tree]

  -- This allow attaching at the same level OR more rootward.
  -- FIXME: but it doesn't allow becoming the root!
  -- QUESTION: Could we slice sample the root location?
  -- QUESTION: Could we somehow propose a root location based on the likelihood/posterior?
  -- sequence_ [ addMove 1 $ metropolisHastings $ fnpr_unsafe_proposal tree node | node <- getNodes tree]

  -- Exchange sibling branches with children?
  addMove 1 $ walkTimeTreeSampleNNIandNodeTimes tree

-------------------------------------------------------------

data UnlabelledCoalescentTree = UnlabelledCoalescentTree [(Int,Time)] [(Time,Double)]

instance Dist UnlabelledCoalescentTree where
    type Result UnlabelledCoalescentTree = WithNodeTimes (WithRoots (Tree ()))
    dist_name _ = "coalescentTree"

instance HasAnnotatedPdf UnlabelledCoalescentTree where
    annotated_densities (UnlabelledCoalescentTree leafTimes popSizes) tree = return (coalescentTreePrFactors popSizes tree, ())

instance Sampleable UnlabelledCoalescentTree where
    sample dist@(UnlabelledCoalescentTree leafTimes popSizes) = RanDistribution3 dist coalescentTreeEffect triggeredModifiableTimeTree (sampleCoalescentTree leafTimes popSizes)

unlabelledCoalescentTree leafTimes popSizes = UnlabelledCoalescentTree leafTimes popSizes

-------------------------------------------------------------

data CoalescentTree l = CoalescentTree [(l,Time)] [(Time,Double)]

instance Dist (CoalescentTree l) where
    type Result (CoalescentTree l) = WithNodeTimes (WithRoots (Tree l))
    dist_name _ = "CoalescentTree"

instance HasAnnotatedPdf (CoalescentTree l) where
    annotated_densities (CoalescentTree taxonAges popSizes) tree = return (coalescentTreePrFactors popSizes tree, ())

instance Sampleable (CoalescentTree l) where
    sample dist@(CoalescentTree taxonAges popSizes) = addLabels leafIndices <$> (sample $ unlabelledCoalescentTree leafTimes popSizes)
        where taxonAgeIndices = zip taxonAges [0..] 
              leafTimes = [(node,time) | ((name,time),node) <- taxonAgeIndices]
              leafIndices = [(node,name) | ((name,time),node) <- taxonAgeIndices]

coalescentTree taxonAges popSizes = CoalescentTree taxonAges popSizes

----------- Alternative coalescent sampling -----------------
-- This version references neighboring node structures directly, instead of just
-- recording their (integer) NAME.
-- * (GOOD) it doesn't require an array to map from integer names to nodes; this may avoid
--   invalidating all the CLs if the number of nodes
-- * (BAD)  it might be hard to create a wrapper tree that looks like this tree plus a
--           modifiation (e.g. deleting a tip).
data RootedTreeNode = RTNode { rTnodeName :: Int, rTnodeTime :: Time, rToutEdges :: [RootedTreeNode], rTinEdges :: [RootedTreeNode] }
-- ^ By allowing multiple in-edges, we can implement DAGs and Directed Forests, not just Trees.

-- When we don't know the node's parent yet, we store a function from parent(s) to node.
type NodeNoParent = [RootedTreeNode] -> RootedTreeNode

sampleCoalescentTree2 theta leafTimes popSizes = do

  let nLeaves = length leafTimes
      firstInternal = 1 + maximum [node | (node, time) <- leafTimes]
      nodes  =  [(time, Leaf node)             | (node, time) <- sortOn fst leafTimes]
      shifts =  [(time, RateShift (1/popSize)) | (time, popSize) <- sortOn fst popSizes]
      events = merge (\x y -> fst x < fst y) nodes shifts

  let go :: Double -> Double -> Int -> [NodeNoParent] -> [(Double, CoalEvent)] -> Random [NodeNoParent]
      go t1 rate nextNode activeSubtrees nextEvents = do
         coal <- getCoalescent t1 rate activeSubtrees
         event <- getEvent nextEvents
         case getNextEvent coal event of
           Nothing -> return activeSubtrees
           Just (t2, Left (n1, n2, rest)) -> goCoal  rate nextNode                nextEvents  (t2, (n1,n2,rest))
           Just (t2, Right (e,es))        -> goEvent rate nextNode activeSubtrees             (t2, (e, es))

      goCoal :: Double -> Int -> [(Double,CoalEvent)] -> (Double,(NodeNoParent,NodeNoParent,[NodeNoParent])) -> Random [NodeNoParent]
      goCoal rate coalNode nextEvents (t2,(n1,n2,rest)) =  go t2 rate nextNode' activeSubtrees' nextEvents
          where nextNode' = coalNode+1
                activeSubtrees' :: [NodeNoParent]
                activeSubtrees' = let node :: NodeNoParent
                                      node p = let node2 = RTNode coalNode t2 [n1 [node2], n2 [node2]] p in node2
                                  in node:rest

      goEvent rate nextNode activeSubtrees (t2, (Leaf node      , events)) = go t2 rate  nextNode activeSubtrees' events
          where activeSubtrees' = (RTNode node t2 []):activeSubtrees
      goEvent rate nextNode activeSubtrees (t2, (RateShift rate', events)) = go t2 rate' nextNode activeSubtrees  events

  trees <- go 0 (2/theta) firstInternal [] events

  case trees of [tree] -> return (tree [])
                _      -> error ("Sampling coalescence ended with " ++ show (length trees) ++ "subtrees!")

data RootedTree = RootedTree {
      getRoot :: RootedTreeNode,

      getNode :: (Array Int RootedTreeNode),
      getOrderedNode :: (Array Int Int)       -- cached the order of the nodes
}

instance Show RootedTree where
    show tree = show (getRoot tree)

instance Show RootedTreeNode where
    show (RTNode name time children maybeParent) = childrenStr ++ show name ++ branchStr
        where branchStr = case maybeParent of []                   -> ";"
                                              [RTNode _ pTime _ _] -> ":" ++ show (pTime - time)
                                              _                    -> error "Multiple parents -- not a tree!"
              childrenStr = case children of [] -> ""
                                             _  -> "(" ++ (intercalate "," (map show children)) ++ ")"