 Symmetric positive-definite preconditioning

Let $A$ and $M$ be real symmetric positive-definite matrices. The principal square root of a positive semidefinite matrix construction gives an invertible matrix for each. SetThen $Ax=b$ is equivalent to $By=c$. This is a matrix congruence, and $B$ is a symmetric positive-definite matrix: $B^T=B$, and for every nonzero vector $v$,since $S^{-1}v\ne 0$. This short proof establishes both requirements for applying the Conjugate gradient method to the transformed linear system.

The left transformed matrix has the same eigenvalues becauseIts correct geometry uses the weighted inner product $⟨u,v{⟩}_M=u^{T}Mv$: $⟨u,M^{-1}Av{⟩}_M=u^{T}Av=⟨M^{-1}Au,v{⟩}_M$. Thus it is symmetric in this inner product, even when it is not a symmetric matrix in ordinary coordinates. The spectral condition number governing the transformed symmetric problem is ${\kappa }_2(B)$, not generally ${\kappa }_2(M^{-1}A)$.

The Preconditioned conjugate gradient method realizes this transformation using auxiliary solves $M{z}_k=r_k$, without constructing $S$ or its matrix inverse. With fixed $M$, initialize $r_0=b-A{x}_0$ and $p_0=z_0$; while $r_k\ne 0$, usethen solve $M{z}_{k+1}=r_{k+1}$ and setStop at a zero linear-system residual before forming another ratio. Positive definiteness makes the denominators positive before termination.^[ref]

An invertible matrix alone is insufficient: with $A=I$ and $M=\mathrm{diag}(-1,1)$, the left transformed matrix has eigenvalues $-1,1$, and $M$ has no real symmetric positive-definite matrix square root. Even a valid symmetric positive-definite matrix can worsen conditioning if its scaling is unsuitable, as the next worked example shows.