Compute Heat Kernel Signatures (HKS) from a spectral basis
Source:R/structure_descriptors.R
compute_hks_descriptors.RdCompute Heat Kernel Signatures (HKS) from a spectral basis
Arguments
- basis
Optional basis list with fields `values` and `vectors`.
- values
Optional numeric vector of eigenvalues (overrides `basis$values`).
- vectors
Optional matrix (or sparse Matrix) of eigenvectors (overrides `basis$vectors`).
- q
Integer number of time points.
- times
Optional numeric time grid. If provided, `time_*` arguments are ignored.
- time_mode
Either `"auto"` (derive a time range from the spectrum) or `"fixed"` (use `time_range`).
- time_range
Length-2 positive numeric vector giving min/max times when `time_mode="fixed"`.
- spacing
Either `"log"` (default; typical for HKS) or `"linear"`.
- time_scale
Positive scalar multiplier applied to the time grid.
- eigen_tol
Positive threshold; eigenpairs with `value <= eigen_tol` are dropped.
- normalize
Descriptor normalization: `"both"` (default), `"column"`, `"row"`, or `"none"`.
- clamp_exponent
Lower clamp for the exponent (default `-745`), used to avoid denormal underflow in `exp(-λ t)`.