R/matrix.R

In ctmm-initiative/ctmm: Continuous-Time Movement Modeling

# matrix trace
tr <- function(x)
{
  x <- cbind(x)
  x <- sum(diag(x))
  return(x)
}

# diagonal average matrix
isotrope <- function(x)
{
  x <- cbind(x)
  diag( mean(diag(x)), nrow=nrow(x) )
}


# 2D rotation matrix
rotate <- function(theta)
{
  COS <- cos(theta)
  SIN <- sin(theta)
  R <- rbind( c(COS,-SIN), c(SIN,COS) )
  return(R)
}


rotate.vec <- function(z,theta)
{
  R <- rotate(theta)
  z <- z %*% t(R)
  return(z)
}


rotate.mat <- function(M,theta)
{
  R <- rotate(theta)
  tR <- t(R)
  n <- dim(M)[1]
  M <- vapply(1:n,function(i){R %*% M[i,,] %*% tR},diag(2)) # (2,2,n)
  M <- aperm(M,c(3,1,2))
  return(M)
}


# rotation matrices array for multiple angles
rotates <- function(theta)
{
  R <- vapply(1:length(theta),function(i){rotate(theta[i])},diag(2)) # (2,2,n)
  R <- aperm(R,c(3,1,2)) # (n,2,2)
  return(R)
}


# apply rotation matrices R to vectors z
rotates.vec <- function(z,R)
{
  DIM <- dim(z) # (n,2*M) or (n,2,M)
  dim(z) <- c(DIM[1],2,prod(DIM[-1])/2) # (n,2,M)
  z <- vapply(1:nrow(z),function(i){R[i,,] %*% z[i,,]},array(0,dim(z)[-1])) # (2,M,n)
  z <- aperm(z,c(3,1,2)) # (n,2,M)
  dim(z) <- DIM
  return(z)
}


# apply rotation matrices R to matrices M
rotates.mat <- function(M,R) # could add tR=t(R) argument for small cost savings
{
  M <- vapply(1:dim(M)[1],function(i){R[i,,] %*% M[i,,] %*% t(R[i,,])},diag(2)) # (2,2,n)
  M <- aperm(M,c(3,1,2)) # (n,2,2)
  return(M)
}

# eccentricity squeeze transformation
squeeze <- function(z,smgm)
{
  z[,1] <- z[,1] / smgm
  z[,2] <- z[,2] * smgm
  return(z)
}

# eccentricity transform matrices
squeeze.mat <- function(M,smgm) # (n,2,2)
{
  R <- c(1/smgm,smgm)
  M <- aperm(M,c(2,3,1)) # (2,2,n)
  M <- R * M # (2',2,n)
  M <- aperm(M,c(2,3,1)) # (2,n,2')
  M <- R * M # (2',n,2')
  M <- aperm(M,c(2,3,1)) # (n,2',2')
  return(M)
}


##### det shouldn't fail because R dropped indices
det.numeric <- function(x,...) { x }
determinant.numeric <- function(x,logarithm=TRUE,...)
{
  SIGN <- sign(x)
  if(logarithm)
  { x <- log(abs(x)) }

  RESULT <- list(modulus=x,sign=SIGN)
  attr(RESULT$modulus,"logarithm") <- logarithm

  class(RESULT) <- "det"

  return(det)
}

# 2x2 determinant
det2 <- function(x)
{ x[1,1]*x[2,2] - x[1,2]*x[2,1] }


# dyadic product default
outer <- function(X,Y=X,FUN="*",...) { base::outer(X,Y,FUN=FUN,...) }


# riffle columns of two matrices
riffle <- function(u,v,by=1)
{
  DIM <- dim(u) # (row,col)
  SUB <- 0:(by-1)
  u <- vapply(seq(1,DIM[2],by),function(i){cbind(u[,i+SUB],v[,i+SUB])},array(0,c(DIM[1],2*by))) # (row,2*by,col/by)
  dim(u) <- c(DIM[1],2*DIM[2])
  return(u)
}


# adjoint of matrix
Adj <- function(M) { t(Conj(M)) }

# Hermitian part of matrix
He <- function(M) { (M + Adj(M))/2 }


# map function for real-valued PSD matrices
PDfunc <-function(M,func=function(m){1/m},sym=TRUE,force=FALSE,pseudo=FALSE,tol=.Machine$double.eps)
{
  DIM <- dim(M)[1]
  if(is.null(DIM))
  {
    DIM <- 1
    M <- cbind(M)
  }
  # tol <- max(tol,.Machine$double.eps)

  # for singular maps
  INF <- diag(M)==Inf
  if(func(0)<Inf)
  { ZERO <- sapply(1:nrow(M),function(i){all(M[i,]==0)}) }
  else
  { ZERO <- rep(FALSE,DIM) }

  if(DIM==1)
  { M <- c(M) }
  else if(any(INF) || any(ZERO)) # check for Inf & map those properly
  {
    if(any(INF))
    {
      if(func(Inf)==0) # maps to zero
      { M[INF,] <- M[,INF] <- 0 }
      else if(func(Inf)==Inf) # maps to infinity
      {
        M[INF,] <- M[,INF] <- 0
        M[INF,INF] <- Inf
      }
    }

    if(any(ZERO)) { diag(M)[ZERO] <- func(0) }

    # regular inverse of remaining dimensions
    REM <- !(INF|ZERO)
    if(any(REM)) { M[REM,REM] <- PDfunc(M[REM,REM,drop=FALSE],func=func,force=force,pseudo=pseudo) }

    return(M)
  }
  else if(DIM==2)
  {
    TR <- (M[1,1] + M[2,2])/2 # half trace
    BIGNUM <- TR^2 > .Machine$double.xmax * .Machine$double.eps

    if(BIGNUM)
    {
      DET <- (M[1,1]/TR)*(M[2,2]/TR) - (M[1,2]/TR)*(M[2,1]/TR)
      DET <- 1 - DET # (tr^2 - det)/tr^2
    }
    else
    {
      DET <- M[1,1]*M[2,2] - M[1,2]*M[2,1]
      DET <- TR^2 - DET # tr^2 - det
    }

    if(DET<=0) # det is too close to tr^2
    {
      M <- diag(M)
      V <- array(0,c(2,2,2))
      V[1,1,1] <- V[2,2,2] <- 1
    }
    else
    {
      DET <- sqrt(DET) # now root term
      if(BIGNUM) { DET <- DET * TR }

      # hermitian formula
      V <- diag(1/2,2) %o% c(1,1) + ((M-TR*diag(2))/(DET*2)) %o% c(1,-1)

      M <- TR + c(1,-1)*DET
    }
  }
  else if(DIM>2) # arbitrary DIM
  {
    if(sym)
    {
      M <- eigen(M)
      V <- M$vectors
      M <- Re(M$values)

      V <- vapply(1:DIM,function(i){Re(V[,i] %o% Conj(V[,i]))},diag(1,DIM))
    }
    else
    {
      M <- svd(M)
      U <- solve(Adj(M$v))
      V <- solve(M$u)
      M <- Re(M$d)

      V <- vapply(1:DIM,function(i){Re(U[,i] %o% V[i,])},diag(1,DIM))
    }
  }

  if(any(M<0) && !force && !pseudo) { stop("Matrix not positive definite.") }

  # negative eigenvalues indicate size of numerical error
  # MIN <- last(M)
  # if(MIN<0) { tol <- max(tol,2*abs(MIN)) }

  PSEUDO <- (M < tol)
  # PSEUDO <- (abs(M) < tol) # why abs(M)?

  if(force) { M <- eigen.extrapolate(M) }
  if(any(PSEUDO) && pseudo) { M[PSEUDO] <- 0 }
  M <- func(M)
  if(any(PSEUDO) && pseudo) { M[PSEUDO] <- 0 }

  if(DIM==1)
  { M <- cbind(M) }
  else
  {
    # add up from smallest contribution to largest contribution
    INDEX <- sort(abs(M),method="quick",index.return=TRUE)$ix
    M <- lapply(INDEX,function(i){nant(M[i]*V[,,i],0)}) # 0/0 -> 0
    M <- Reduce('+',M)
  }

  return(M)
}


# Positive definite solver
PDsolve <- function(M,sym=TRUE,force=FALSE,pseudo=FALSE,tol=.Machine$double.eps)
{
  NAMES <- rev( dimnames(M) ) # dimnames for inverse matrix
  DIM <- dim(M)
  if(is.null(DIM))
  {
    M <- as.matrix(M)
    DIM <- dim(M)
  }
  if(DIM[1]==0) { return(M) }

  # check for Inf & invert those to 0 (and vice versa)
  INF <- diag(M)==Inf
  ZERO <- diag(M)<=0 & sym
  if(any(INF) || any(ZERO))
  {
    # 1/Inf == 0 # correlations not accounted for
    if(any(INF)) { M[INF,] <- M[,INF] <- 0 }

    # 1/0 == Inf
    if(any(ZERO))
    {
      M[ZERO,] <- M[,ZERO] <- 0
      diag(M)[ZERO] <- Inf
    }

    # regular inverse of remaining dimensions
    REM <- !(INF|ZERO)
    if(any(REM)) { M[REM,REM] <- PDsolve(M[REM,REM,drop=FALSE],force=force,pseudo=pseudo,sym=sym) }

    dimnames(M) <- NAMES
    return(M)
  }

  if(!force && !pseudo)
  {
    if(DIM[1]==1)
    {
      M <- matrix(1/M,c(1,1))

      dimnames(M) <- NAMES
      return(M)
    }
    if(DIM[1]==2)
    {
      DET <- M[1,1]*M[2,2]-M[1,2]*M[2,1]
      if(DET<=0) { return(diag(Inf,2)) } # force positive definite / diagonal
      SWP <- M[1,1] ; M[1,1] <- M[2,2] ; M[2,2] <- SWP
      M[1,2] <- -M[1,2]
      M[2,1] <- -M[2,1]
      M <- M/DET

      dimnames(M) <- NAMES
      return(M)
    }
  }

  # symmetrize
  if(sym) { M <- He(M) }

  # rescale
  W <- abs(diag(M))
  W <- sqrt(W)
  ZERO <- W<=tol
  if(any(ZERO)) # do not divide by zero or near zero
  {
    if(any(!ZERO))
    { W[ZERO] <- min(W[!ZERO]) } # do some rescaling... assuming axes are similar
    else
    { W[ZERO] <- 1 } # do no rescaling
  }
  W <- W %o% W

  # now a correlation matrix that is easier to invert
  M <- M/W

  # try ordinary inverse
  M.try <- try(qr.solve(M,tol=tol),silent=TRUE)
  # fall back on decomposition
  if( class(M.try)[1] == "matrix" && (!sym || all(diag(M.try>=0))) )
  { M <- M.try }
  else
  { M <- PDfunc(M,func=function(m){1/m},sym=sym,force=force,pseudo=pseudo,tol=tol) }

  # back to covariance matrix
  M <- M/W

  # symmetrize
  if(sym) { M <- He(M) }

  dimnames(M) <- NAMES
  return(M)
}


PDlogdet <- function(M,sym=TRUE,force=FALSE,tol=.Machine$double.eps,...)
{
  DIM <- dim(M)
  if(is.null(DIM))
  {
    M <- as.matrix(M)
    DIM <- dim(M)
  }

  if(DIM[1]==0)
  { return(0) } # tr[log([0x0])] == 0
  else if(DIM[1]==0)
  {
    M <- clamp(M,0,Inf)
    if(force) { M <- eigen.extrapolate(M) }
    M <- log(M)
    return(M)
  }

  # check for Inf & invert those to 0 (and vice versa)
  INF <- diag(M)==Inf
  ZERO <- diag(M)<=0 & sym
  if(any(INF) || any(ZERO))
  {
    SIGN <- sum(INF) - sum(ZERO)
    if(SIGN!=0) { return(SIGN*Inf) }

    # regular log.det of remaining dimensions
    REM <- !(INF|ZERO)
    if(any(REM))
    { return( PDlogdet(M[REM,REM,drop=FALSE],force=force,sym=sym) ) }
    else
    { return(0) }
  }

  # symmetrize
  if(sym) { M <- He(M) }

  M <- eigen(M)$values
  M <- clamp(M,0,Inf)

  if(force) { M <- eigen.extrapolate(M) }

  M <- sum(log(M))

  return(M)
}


isqrtm <- function(M,force=FALSE,pseudo=FALSE)
{
  # TODO
}

# only for PSD matrices
sqrtm <- function(M,force=FALSE,pseudo=FALSE)
{
  if(class(M)[1]=="covm")
  {
    par <- attr(M,"par")
    par['area'] <- sqrt(par['area'])
    M <- covm(par,isotropic=attr(M,'isotropic'),axes=dimnames(M)[[1]])
    return(M)
  }

  DIM <- dim(M)[1]
  if(is.null(DIM)) { DIM <- 1 }
  TOL <- DIM[1]*.Machine$double.eps

  if(DIM==1)
  {
    if(M>=0)
    { M <- sqrt(M) }
    else
    {
      if(force || pseudo) { M <- 0 } # round off error
      else { stop("Matrix is not positive definite.") } # complex sqrt
    }
  }
  else if(DIM==2)
  {
    TR <- M[1,1] + M[2,2]
    DET <- M[1,1]*M[2,2] - M[1,2]*M[2,1]

    if(DET<0 || TR^2<4*DET || any(diag(M)<0))
    {
      if(force || pseudo)
      { M <- PDfunc(M,func=sqrt,force=force,pseudo=pseudo) }
      else
      { stop("Matrix is not positive definite.") }
    }
    else
    {
      S <- sqrt(DET)
      M <- (M + S*diag(2))/sqrt(TR+2*S)
      M <- nant(M,0) # not sure if this is a general fix
    }
  }
  else
  {
    FAIL <- diag(-1,nrow=DIM)

    if(all(diag(M)>=-TOL))
    {
      R <- try(expm::sqrtm(M),silent=TRUE)
      if(class(R)[1]=="try-error") { R <- FAIL }
    }
    else
    { R <- FAIL }

    if(all(Re(diag(R))>=-TOL) && all(abs(Im(diag(R)))<=TOL))
    {
      M <- Re(R)
      TEST <- (diag(M)<=0)
      if(any(TEST)) { diag(M)[TEST] <- 0 }
    }
    else
    {
      if(force || pseudo)
      { M <- PDfunc(M,func=sqrt,force=force,pseudo=pseudo) }
      else
      { stop("Matrix is not positive definite.") }
    }
  }

  return(M)
}

# fix matrices with infinite variances
fixInf <- function(M)
{
  INF <- M==Inf
  DIAG <- diag(TRUE,nrow(M))

  if(any(INF)) { M[INF] <- 0 }

  INF <- INF & DIAG
  if(any(INF)) { M[INF] <- Inf }

  return(M)
}

# fix matrices with 0/0 that should have infinite variances
fixNaN <- function(M)
{
  NAN <- is.nan(M)
  DIAG <- diag(TRUE,nrow(M))

  if(any(NAN)) { M[NAN] <- 0 }

  INF <- NAN & DIAG
  if(any(INF)) { M[INF] <- Inf }

  return(M)
}


# condition number
conditionNumber <- function(M)
{
  M <- try(eigen(M)$values)
  if(class(M)[1]=="numeric")
  {
    M <- last(M)/M[1]
    M <- nant(M,Inf) # worst case
    return(M)
  }
  else
  { return(Inf) } # worst case
}


# Positive definite part of matrix
PDclamp <- function(M,lower=0,upper=Inf,...)
{
  # Inf fix
  INF <- diag(M)==Inf
  if(any(INF))
  {
    if(any(INF))
    {
      M[INF,INF] <- 0
      diag(M)[INF] <- upper # Inf
    }

    # regular clamp of remaining dimensions
    REM <- !INF
    if(any(REM)) { M[REM,REM] <- PDclamp(M[REM,REM,drop=FALSE],lower=lower,upper=upper) }
  }
  else
  {
    # symmetrize
    M <- He(M)

    # similarity transform
    V <- abs(diag(M))
    V <- sqrt(V)
    # don't divide by zero
    TEST <- V<=.Machine$double.eps
    if(any(TEST)) { V[TEST] <- 1 }
    V <- V %o% V
    M <- M/V

    M <- PDfunc(M,function(m){clamp(m,lower,upper)},pseudo=TRUE,...)

    # similarity back-transform
    M <- M*V

    # symmetrize
    M <- He(M)
  }

  return(M)
}


# relatively smallest eigen value of matrix
mat.min <- function(M)
{
  if(any(is.na(M)) || any(abs(M)==Inf) || any(diag(M)==0)) { return(0) }
  diag(M) <- abs(diag(M))
  M <- stats::cov2cor(M)
  M <- eigen(M)$values
  M <- last(M)
  return(M)
}


# smallest maximum of matrices (for inner products on normalized vectors)
# if MAX=FALSE, largest minimum of matrices
ext.mat <- function(...,MAX=TRUE)
{
  MATS <- list(...)
  DIM <- dim(MATS[[1]])[1]
  MATS <- lapply(MATS,eigen)

  VAL <- NULL
  VEC <- NULL
  for(i in 1:length(MATS))
  {
    VAL <- c(VAL,MATS[[i]]$values)
    VEC <- cbind(VEC,MATS[[i]]$vectors)
  }
  rm(MATS)

  ORDER <- order(VAL,decreasing=MAX)
  VAL <- VAL[ORDER]
  VEC <- VEC[,ORDER]

  MATS <- list()
  for(i in 1:DIM)
  {
    MATS[[i]] <- VAL[i] * (VEC[,i] %o% VEC[,i])
    # Grahm-Schmidt orthogonalization
    if(i<DIM) { for(j in (i+1):DIM) { VEC[,j] <- VEC[,j] - c(VEC[,i] %*% VEC[,j]) * VEC[,i] } }
  }

  MATS <- Reduce("+",MATS)
  return(MATS)
}


eigen.extrapolate <- function(M)
{
  if(all(M>0)) { return(M) }

  LOG <- log(M[M>0]/M[1])
  LOG <- diff(LOG)
  if(length(LOG))
  { LOG <- last(LOG) }
  else
  { LOG <- log(.Machine$double.eps) }

  BAD <- sum(M<=0)
  LAST <- last(M[M>0])
  if(length(LAST)==0) { LAST <- 1 } # no positive values to extrapolate from
  M[M<=0] <- LAST * exp(LOG*1:BAD)

  return(M)
}