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//! Supporting classes and functions for [`Grid::evolve`].
use super::grid::{Grid, GridError, Order};
use super::import_only_subgrid::ImportOnlySubgridV2;
use super::lumi::LumiEntry;
use super::lumi_entry;
use super::sparse_array3::SparseArray3;
use super::subgrid::{Mu2, Subgrid, SubgridEnum};
use float_cmp::approx_eq;
use itertools::Itertools;
use ndarray::linalg;
use ndarray::{s, Array1, Array2, Array3, ArrayView1, ArrayView4, Axis};
use std::iter;
/// Number of ULPS used to de-duplicate grid values in [`Grid::evolve_info`].
pub(crate) const EVOLVE_INFO_TOL_ULPS: i64 = 64;
/// Number of ULPS used to search for grid values in this module. This value must be a large-enough
/// multiple of [`EVOLVE_INFO_TOL_ULPS`], because otherwise similar values are not found in
/// [`Grid::evolve`]. See <https://github.com/NNPDF/pineappl/issues/223> for details.
const EVOLUTION_TOL_ULPS: i64 = 4 * EVOLVE_INFO_TOL_ULPS;
/// This structure captures the information needed to create an evolution kernel operator (EKO) for
/// a specific [`Grid`].
pub struct EvolveInfo {
/// Squared factorization scales of the `Grid`.
pub fac1: Vec<f64>,
/// Particle identifiers of the `Grid`.
pub pids1: Vec<i32>,
/// `x`-grid coordinates of the `Grid`.
pub x1: Vec<f64>,
/// Renormalization scales of the `Grid`.
pub ren1: Vec<f64>,
}
/// Information about the evolution kernel operator (EKO) passed to [`Grid::evolve`] as `operator`,
/// which is used to convert a [`Grid`] into an [`FkTable`]. The dimensions of the EKO must
/// correspond to the values given in [`fac1`], [`pids0`], [`x0`], [`pids1`] and [`x1`], exactly in
/// this order. Members with a `1` are defined at the squared factorization scales given in
/// [`fac1`] (often called process scales) and are found in the [`Grid`] that [`Grid::evolve`] is
/// called with. Members with a `0` are defined at the squared factorization scale [`fac0`] (often
/// called fitting scale or starting scale) and are found in the [`FkTable`] resulting from
/// [`Grid::evolve`].
///
/// The EKO may convert a `Grid` from a basis given by the particle identifiers [`pids1`] to a
/// possibly different basis given by [`pids0`]. This basis must also be identified using
/// [`lumi_id_types`], which tells [`FkTable::convolute`] how to perform a convolution. The members
/// [`ren1`] and [`alphas`] must be the strong couplings given at the respective renormalization
/// scales. Finally, [`xir`] and [`xif`] can be used to vary the renormalization and factorization
/// scales, respectively, around their central values.
///
/// [`FkTable::convolute`]: super::fk_table::FkTable::convolute
/// [`FkTable`]: super::fk_table::FkTable
/// [`alphas`]: Self::alphas
/// [`fac0`]: Self::fac0
/// [`fac1`]: Self::fac1
/// [`lumi_id_types`]: Self::lumi_id_types
/// [`pids0`]: Self::pids0
/// [`pids1`]: Self::pids1
/// [`ren1`]: Self::ren1
/// [`x0`]: Self::x0
/// [`x1`]: Self::x1
/// [`xif`]: Self::xif
/// [`xir`]: Self::xir
pub struct OperatorInfo {
/// Squared factorization scale of the `FkTable`.
pub fac0: f64,
/// Particle identifiers of the `FkTable`.
pub pids0: Vec<i32>,
/// `x`-grid coordinates of the `FkTable`
pub x0: Vec<f64>,
/// Squared factorization scales of the `Grid`.
pub fac1: Vec<f64>,
/// Particle identifiers of the `Grid`. If the `Grid` contains more particle identifiers than
/// given here, the contributions of them are silently ignored.
pub pids1: Vec<i32>,
/// `x`-grid coordinates of the `Grid`.
pub x1: Vec<f64>,
/// Renormalization scales of the `Grid`.
pub ren1: Vec<f64>,
/// Strong couplings corresponding to the order given in [`ren1`](Self::ren1).
pub alphas: Vec<f64>,
/// Multiplicative factor for the central renormalization scale.
pub xir: f64,
/// Multiplicative factor for the central factorization scale.
pub xif: f64,
/// Identifier of the particle basis for the `FkTable`.
pub lumi_id_types: String,
}
/// Information about the evolution kernel operator slice (EKO) passed to
/// [`Grid::evolve_with_slice_iter`](super::grid::Grid::evolve_with_slice_iter) as `operator`,
/// which is used to convert a [`Grid`] into an [`FkTable`](super::fk_table::FkTable). The
/// dimensions of the EKO must correspond to the values given in [`fac1`](Self::fac1),
/// [`pids0`](Self::pids0), [`x0`](Self::x0), [`pids1`](Self::pids1) and [`x1`](Self::x1), exactly
/// in this order. Members with a `1` are defined at the squared factorization scale given as
/// `fac1` (often called process scale) and are found in the [`Grid`] that
/// `Grid::evolve_with_slice_iter` is called with. Members with a `0` are defined at the squared
/// factorization scale [`fac0`](Self::fac0) (often called fitting scale or starting scale) and are
/// found in the `FkTable` resulting from [`Grid::evolve`].
///
/// The EKO slice may convert a `Grid` from a basis given by the particle identifiers `pids1` to a
/// possibly different basis given by `pids0`. This basis must also be identified using
/// [`lumi_id_types`](Self::lumi_id_types), which tells
/// [`FkTable::convolute`](super::fk_table::FkTable::convolute) how to perform a convolution.
#[derive(Clone)]
pub struct OperatorSliceInfo {
/// Squared factorization scale of the `FkTable`.
pub fac0: f64,
/// Particle identifiers of the `FkTable`.
pub pids0: Vec<i32>,
/// `x`-grid coordinates of the `FkTable`
pub x0: Vec<f64>,
/// Squared factorization scale of the slice of `Grid` that should be evolved.
pub fac1: f64,
/// Particle identifiers of the `Grid`. If the `Grid` contains more particle identifiers than
/// given here, the contributions of them are silently ignored.
pub pids1: Vec<i32>,
/// `x`-grid coordinates of the `Grid`.
pub x1: Vec<f64>,
/// Identifier of the particle basis for the `FkTable`.
pub lumi_id_types: String,
}
/// A mapping of squared renormalization scales in `ren1` to strong couplings in `alphas`. The
/// ordering of both members defines the mapping.
pub struct AlphasTable {
/// Renormalization scales of the `Grid`.
pub ren1: Vec<f64>,
/// Strong couplings corresponding to the order given in [`ren1`](Self::ren1).
pub alphas: Vec<f64>,
}
impl AlphasTable {
/// Create an `AlphasTable` for `grid`, varying the renormalization scale by `xir` for the
/// strong couplings given by `alphas`. The only argument of `alphas` must be the squared
/// renormalization scale.
pub fn from_grid(grid: &Grid, xir: f64, alphas: &dyn Fn(f64) -> f64) -> Self {
let mut ren1: Vec<_> = grid
.subgrids()
.iter()
.flat_map(|subgrid| {
subgrid
.mu2_grid()
.iter()
.map(|Mu2 { ren, .. }| xir * xir * ren)
.collect::<Vec<_>>()
})
.collect();
// UNWRAP: if we can't sort numbers the grid is fishy
ren1.sort_by(|a, b| a.partial_cmp(b).unwrap_or_else(|| unreachable!()));
ren1.dedup();
let ren1 = ren1;
let alphas: Vec<_> = ren1.iter().map(|&mur2| alphas(mur2)).collect();
Self { ren1, alphas }
}
}
fn gluon_has_pid_zero(grid: &Grid) -> bool {
// if there are any PID zero particles ...
grid.lumi()
.iter()
.any(|entry| entry.entry().iter().any(|&(a, b, _)| (a == 0) || (b == 0)))
// and if lumi_id_types = pdg_mc_ids or if the key-value pair doesn't exist
&& grid
.key_values()
.and_then(|key_values| key_values.get("lumi_id_types"))
.map_or(true, |value| value == "pdg_mc_ids")
}
type Pid01IndexTuples = Vec<(usize, usize)>;
type Pid01Tuples = Vec<(i32, i32)>;
fn pid_slices(
operator: &ArrayView4<f64>,
info: &OperatorSliceInfo,
gluon_has_pid_zero: bool,
pid1_nonzero: &dyn Fn(i32) -> bool,
) -> Result<(Pid01IndexTuples, Pid01Tuples), GridError> {
// list of all non-zero PID indices
let pid_indices: Vec<_> = (0..operator.dim().2)
.cartesian_product(0..operator.dim().0)
.filter(|&(pid0_idx, pid1_idx)| {
// 1) at least one element of the operator must be non-zero, and 2) the pid must be
// contained in the lumi somewhere
operator
.slice(s![pid1_idx, .., pid0_idx, ..])
.iter()
.any(|&value| value != 0.0)
&& pid1_nonzero(if gluon_has_pid_zero && info.pids1[pid1_idx] == 21 {
0
} else {
info.pids1[pid1_idx]
})
})
.collect();
if pid_indices.is_empty() {
return Err(GridError::EvolutionFailure(
"no non-zero operator found; result would be an empty FkTable".to_owned(),
));
}
// list of all non-zero (pid0, pid1) combinations
let pids = pid_indices
.iter()
.map(|&(pid0_idx, pid1_idx)| {
(
info.pids0[pid0_idx],
if gluon_has_pid_zero && info.pids1[pid1_idx] == 21 {
0
} else {
info.pids1[pid1_idx]
},
)
})
.collect();
Ok((pid_indices, pids))
}
fn lumi0_with_one(pids: &[(i32, i32)]) -> Vec<i32> {
let mut pids0: Vec<_> = pids.iter().map(|&(pid0, _)| pid0).collect();
pids0.sort_unstable();
pids0.dedup();
pids0
}
fn lumi0_with_two(pids_a: &[(i32, i32)], pids_b: &[(i32, i32)]) -> Vec<(i32, i32)> {
let mut pids0_a: Vec<_> = pids_a.iter().map(|&(pid0, _)| pid0).collect();
pids0_a.sort_unstable();
pids0_a.dedup();
let mut pids0_b: Vec<_> = pids_b.iter().map(|&(pid0, _)| pid0).collect();
pids0_b.sort_unstable();
pids0_b.dedup();
pids0_a
.iter()
.copied()
.cartesian_product(pids0_b.iter().copied())
.collect()
}
fn operator_slices(
operator: &ArrayView4<f64>,
info: &OperatorSliceInfo,
pid_indices: &[(usize, usize)],
x1: &[f64],
) -> Result<Vec<Array2<f64>>, GridError> {
// permutation between the grid x values and the operator x1 values
let x1_indices: Vec<_> = x1
.iter()
.map(|&x1p| {
info.x1
.iter()
.position(|&x1| approx_eq!(f64, x1p, x1, ulps = EVOLUTION_TOL_ULPS))
.ok_or_else(|| {
GridError::EvolutionFailure(format!("no operator for x = {x1p} found"))
})
})
// TODO: use `try_collect` once stabilized
.collect::<Result<_, _>>()?;
// create the corresponding operators accessible in the form [muf2, x0, x1]
let operators: Vec<_> = pid_indices
.iter()
.map(|&(pid0_idx, pid1_idx)| {
operator
.slice(s![pid1_idx, .., pid0_idx, ..])
.select(Axis(0), &x1_indices)
.reversed_axes()
.as_standard_layout()
.into_owned()
})
.collect();
Ok(operators)
}
type X1aX1bOp2Tuple = (Vec<f64>, Vec<f64>, Array2<f64>);
fn ndarray_from_subgrid_orders_slice(
info: &OperatorSliceInfo,
subgrids: &ArrayView1<SubgridEnum>,
orders: &[Order],
order_mask: &[bool],
(xir, xif): (f64, f64),
alphas_table: &AlphasTable,
) -> Result<X1aX1bOp2Tuple, GridError> {
// TODO: skip empty subgrids
let mut x1_a: Vec<_> = subgrids
.iter()
.enumerate()
.filter(|(index, _)| order_mask.get(*index).copied().unwrap_or(true))
.flat_map(|(_, subgrid)| subgrid.x1_grid().into_owned())
.collect();
let mut x1_b: Vec<_> = subgrids
.iter()
.enumerate()
.filter(|(index, _)| order_mask.get(*index).copied().unwrap_or(true))
.flat_map(|(_, subgrid)| subgrid.x2_grid().into_owned())
.collect();
x1_a.sort_by(f64::total_cmp);
x1_a.dedup_by(|a, b| approx_eq!(f64, *a, *b, ulps = EVOLUTION_TOL_ULPS));
x1_b.sort_by(f64::total_cmp);
x1_b.dedup_by(|a, b| approx_eq!(f64, *a, *b, ulps = EVOLUTION_TOL_ULPS));
let mut array = Array2::<f64>::zeros((x1_a.len(), x1_b.len()));
// add subgrids for different orders, but the same bin and lumi, using the right
// couplings
for (subgrid, order) in subgrids
.iter()
.zip(orders.iter())
.zip(order_mask.iter().chain(iter::repeat(&true)))
.filter_map(|((subgrid, order), &enabled)| {
(enabled && !subgrid.is_empty()).then_some((subgrid, order))
})
{
let mut logs = 1.0;
if order.logxir > 0 {
if approx_eq!(f64, xir, 1.0, ulps = 4) {
continue;
}
logs *= (xir * xir).ln();
}
if order.logxif > 0 {
if approx_eq!(f64, xif, 1.0, ulps = 4) {
continue;
}
logs *= (xif * xif).ln();
}
// TODO: use `try_collect` once stabilized
let xa_indices: Vec<_> = subgrid
.x1_grid()
.iter()
.map(|&xa| {
x1_a.iter()
.position(|&x1a| approx_eq!(f64, x1a, xa, ulps = EVOLUTION_TOL_ULPS))
.ok_or_else(|| {
GridError::EvolutionFailure(format!("no operator for x1 = {xa} found"))
})
})
.collect::<Result<_, _>>()?;
let xb_indices: Vec<_> = subgrid
.x2_grid()
.iter()
.map(|&xb| {
x1_b.iter()
.position(|&x1b| approx_eq!(f64, x1b, xb, ulps = EVOLUTION_TOL_ULPS))
.ok_or_else(|| {
GridError::EvolutionFailure(format!("no operator for x1 = {xb} found"))
})
})
.collect::<Result<_, _>>()?;
for ((ifac1, ix1, ix2), value) in subgrid.indexed_iter() {
let Mu2 { ren, fac } = subgrid.mu2_grid()[ifac1];
if !approx_eq!(f64, xif * xif * fac, info.fac1, ulps = EVOLUTION_TOL_ULPS) {
continue;
}
let mur2 = xir * xir * ren;
let als = if order.alphas == 0 {
1.0
} else if let Some(alphas) = alphas_table
.ren1
.iter()
.zip(alphas_table.alphas.iter())
.find_map(|(&ren1, &alphas)| {
approx_eq!(f64, ren1, mur2, ulps = EVOLUTION_TOL_ULPS).then(|| alphas)
})
{
alphas.powi(order.alphas.try_into().unwrap())
} else {
return Err(GridError::EvolutionFailure(format!(
"no alphas for mur2 = {mur2} found"
)));
};
array[[xa_indices[ix1], xb_indices[ix2]]] += als * logs * value;
}
}
Ok((x1_a, x1_b, array))
}
pub(crate) fn evolve_slice_with_one(
grid: &Grid,
operator: &ArrayView4<f64>,
info: &OperatorSliceInfo,
order_mask: &[bool],
xi: (f64, f64),
alphas_table: &AlphasTable,
) -> Result<(Array3<SubgridEnum>, Vec<LumiEntry>), GridError> {
let gluon_has_pid_zero = gluon_has_pid_zero(grid);
let has_pdf1 = grid.has_pdf1();
let (pid_indices, pids) = pid_slices(operator, info, gluon_has_pid_zero, &|pid| {
grid.lumi()
.iter()
.flat_map(LumiEntry::entry)
.any(|&(a, b, _)| if has_pdf1 { a } else { b } == pid)
})?;
let lumi0 = lumi0_with_one(&pids);
let mut sub_fk_tables = Vec::with_capacity(grid.bin_info().bins() * lumi0.len());
let new_axis = if has_pdf1 { 2 } else { 1 };
let mut last_x1 = Vec::new();
let mut ops = Vec::new();
for subgrids_ol in grid.subgrids().axis_iter(Axis(1)) {
let mut tables = vec![Array1::zeros(info.x0.len()); lumi0.len()];
for (subgrids_o, lumi1) in subgrids_ol.axis_iter(Axis(1)).zip(grid.lumi()) {
let (x1_a, x1_b, array) = ndarray_from_subgrid_orders_slice(
info,
&subgrids_o,
grid.orders(),
order_mask,
xi,
alphas_table,
)?;
let x1 = if has_pdf1 { x1_a } else { x1_b };
if x1.is_empty() {
continue;
}
if (last_x1.len() != x1.len())
|| last_x1
.iter()
.zip(x1.iter())
.any(|(&lhs, &rhs)| !approx_eq!(f64, lhs, rhs, ulps = EVOLUTION_TOL_ULPS))
{
ops = operator_slices(operator, info, &pid_indices, &x1)?;
last_x1 = x1;
}
for (&pid1, &factor) in lumi1
.entry()
.iter()
.map(|(a, b, f)| if has_pdf1 { (a, f) } else { (b, f) })
{
for (fk_table, op) in
lumi0
.iter()
.zip(tables.iter_mut())
.filter_map(|(&pid0, fk_table)| {
pids.iter()
.zip(ops.iter())
.find_map(|(&(p0, p1), op)| {
(p0 == pid0 && p1 == pid1).then_some(op)
})
.map(|op| (fk_table, op))
})
{
fk_table.scaled_add(factor, &op.dot(&array.index_axis(Axis(new_axis - 1), 0)));
}
}
}
sub_fk_tables.extend(tables.into_iter().map(|table| {
ImportOnlySubgridV2::new(
SparseArray3::from_ndarray(
table
.insert_axis(Axis(0))
.insert_axis(Axis(new_axis))
.view(),
0,
1,
),
vec![Mu2 {
// TODO: FK tables don't depend on the renormalization scale
//ren: -1.0,
ren: info.fac0,
fac: info.fac0,
}],
if has_pdf1 { info.x0.clone() } else { vec![1.0] },
if has_pdf1 { vec![1.0] } else { info.x0.clone() },
)
.into()
}));
}
let pid = if has_pdf1 {
grid.initial_state_2()
} else {
grid.initial_state_1()
};
Ok((
Array1::from_iter(sub_fk_tables)
.into_shape((1, grid.bin_info().bins(), lumi0.len()))
.unwrap(),
lumi0
.iter()
.map(|&a| {
lumi_entry![
if has_pdf1 { a } else { pid },
if has_pdf1 { pid } else { a },
1.0
]
})
.collect(),
))
}
pub(crate) fn evolve_slice_with_two(
grid: &Grid,
operator: &ArrayView4<f64>,
info: &OperatorSliceInfo,
order_mask: &[bool],
xi: (f64, f64),
alphas_table: &AlphasTable,
) -> Result<(Array3<SubgridEnum>, Vec<LumiEntry>), GridError> {
let gluon_has_pid_zero = gluon_has_pid_zero(grid);
let (pid_indices_a, pids_a) = pid_slices(operator, info, gluon_has_pid_zero, &|pid1| {
grid.lumi()
.iter()
.flat_map(LumiEntry::entry)
.any(|&(a, _, _)| a == pid1)
})?;
let (pid_indices_b, pids_b) = pid_slices(operator, info, gluon_has_pid_zero, &|pid1| {
grid.lumi()
.iter()
.flat_map(LumiEntry::entry)
.any(|&(_, b, _)| b == pid1)
})?;
let lumi0 = lumi0_with_two(&pids_a, &pids_b);
let mut sub_fk_tables = Vec::with_capacity(grid.bin_info().bins() * lumi0.len());
let mut last_x1a = Vec::new();
let mut last_x1b = Vec::new();
let mut operators_a = Vec::new();
let mut operators_b = Vec::new();
for subgrids_ol in grid.subgrids().axis_iter(Axis(1)) {
let mut tables = vec![Array2::zeros((info.x0.len(), info.x0.len())); lumi0.len()];
for (subgrids_o, lumi1) in subgrids_ol.axis_iter(Axis(1)).zip(grid.lumi()) {
let (x1_a, x1_b, array) = ndarray_from_subgrid_orders_slice(
info,
&subgrids_o,
grid.orders(),
order_mask,
xi,
alphas_table,
)?;
if (last_x1a.len() != x1_a.len())
|| last_x1a
.iter()
.zip(x1_a.iter())
.any(|(&lhs, &rhs)| !approx_eq!(f64, lhs, rhs, ulps = EVOLUTION_TOL_ULPS))
{
operators_a = operator_slices(operator, info, &pid_indices_a, &x1_a)?;
last_x1a = x1_a;
}
if (last_x1b.len() != x1_b.len())
|| last_x1b
.iter()
.zip(x1_b.iter())
.any(|(&lhs, &rhs)| !approx_eq!(f64, lhs, rhs, ulps = EVOLUTION_TOL_ULPS))
{
operators_b = operator_slices(operator, info, &pid_indices_b, &x1_b)?;
last_x1b = x1_b;
}
let mut tmp = Array2::zeros((last_x1a.len(), info.x0.len()));
for &(pida1, pidb1, factor) in lumi1.entry() {
for (fk_table, opa, opb) in
lumi0
.iter()
.zip(tables.iter_mut())
.filter_map(|(&(pida0, pidb0), fk_table)| {
pids_a
.iter()
.zip(operators_a.iter())
.find_map(|(&(pa0, pa1), opa)| {
(pa0 == pida0 && pa1 == pida1).then_some(opa)
})
.zip(pids_b.iter().zip(operators_b.iter()).find_map(
|(&(pb0, pb1), opb)| {
(pb0 == pidb0 && pb1 == pidb1).then_some(opb)
},
))
.map(|(opa, opb)| (fk_table, opa, opb))
})
{
linalg::general_mat_mul(1.0, &array, &opb.t(), 0.0, &mut tmp);
linalg::general_mat_mul(factor, opa, &tmp, 1.0, fk_table);
}
}
}
sub_fk_tables.extend(tables.into_iter().map(|table| {
ImportOnlySubgridV2::new(
SparseArray3::from_ndarray(table.insert_axis(Axis(0)).view(), 0, 1),
vec![Mu2 {
// TODO: FK tables don't depend on the renormalization scale
//ren: -1.0,
ren: info.fac0,
fac: info.fac0,
}],
info.x0.clone(),
info.x0.clone(),
)
.into()
}));
}
Ok((
Array1::from_iter(sub_fk_tables)
.into_shape((1, grid.bin_info().bins(), lumi0.len()))
.unwrap(),
lumi0.iter().map(|&(a, b)| lumi_entry![a, b, 1.0]).collect(),
))
}