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Isolate the PDF interpolation backend to support both LHAPDF and NeoPDF #370

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16145b6
Implement the backend logic for PDF interpolation with LHAPDF and NeoPDF
Radonirinaunimi Jan 26, 2026
7da5396
Bump `ndarray` version to `0.16.1`
Radonirinaunimi Jan 26, 2026
cd6ef4e
Fix Rust CLI tets
Radonirinaunimi Jan 26, 2026
d98d251
Address parts of the clippy warnings
Radonirinaunimi Jan 26, 2026
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1,333 changes: 1,220 additions & 113 deletions Cargo.lock
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2 changes: 1 addition & 1 deletion pineappl/Cargo.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,7 @@ float-cmp = { default-features = false, version = "0.9.0" }
git-version = "0.3.5"
itertools = "0.10.1"
lz4_flex = "0.9.2"
ndarray = { features = ["serde"], version = "0.15.4" }
ndarray = { features = ["serde"], version = "0.16.1" }
# TODO: opt out of default features in this crate to match line above
pineappl-v0 = { package = "pineappl", version = "0.8.2" }
rayon = "1.5.1"
Expand Down
2 changes: 1 addition & 1 deletion pineappl/src/evolution.rs
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Expand Up @@ -489,7 +489,7 @@ pub(crate) fn evolve_slice(

Ok((
Array1::from_iter(sub_fk_tables)
.into_shape((1, grid.bwfl().len(), channels0.len()))
.into_shape_with_order((1, grid.bwfl().len(), channels0.len()))
.unwrap(),
channels0
.into_iter()
Expand Down
2 changes: 1 addition & 1 deletion pineappl_capi/Cargo.toml
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Expand Up @@ -21,7 +21,7 @@ workspace = true
[dependencies]
pineappl = { path = "../pineappl", version = "=1.3.0" }
itertools = "0.10.1"
ndarray = "0.15.4"
ndarray = "0.16.1"

[features]
capi = []
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5 changes: 3 additions & 2 deletions pineappl_cli/Cargo.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -28,8 +28,9 @@ git-version = "0.3.5"
itertools = "0.10.1"
lhapdf = { package = "managed-lhapdf", version = "0.3.4" }
lz4_flex = { optional = true, version = "0.9.2" }
ndarray = "0.15.4"
ndarray-npy = { default-features = false, features = ["npz"], optional = true, version = "0.8.1" }
neopdf = "=0.3.0-alpha2"
ndarray = "0.16.1"
ndarray-npy = { default-features = false, features = ["npz"], optional = true, version = "0.9.0" }
pineappl = { path = "../pineappl", version = "=1.3.0" }
pineappl_applgrid = { optional = true, path = "../pineappl_applgrid", version = "=1.3.0" }
pineappl_fastnlo = { optional = true, path = "../pineappl_fastnlo", version = "=1.3.0" }
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10 changes: 6 additions & 4 deletions pineappl_cli/src/convolve.rs
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Expand Up @@ -58,10 +58,11 @@ pub struct Opts {
impl Subcommand for Opts {
fn run(&self, cfg: &GlobalConfiguration) -> Result<ExitCode> {
let grid = helpers::read_grid(&self.input)?;
let mut conv_funs_0 = helpers::create_conv_funs(&self.conv_funs[0])?;
let mut conv_funs_0 =
helpers::create_conv_funs_with_backend(&self.conv_funs[0], cfg.pdf_backend)?;
let bins: Vec<_> = self.bins.iter().cloned().flatten().collect();

let results = helpers::convolve_scales(
let results = helpers::convolve_scales_with_backend(
&grid,
&mut conv_funs_0,
&self.conv_funs[0].conv_types,
Expand Down Expand Up @@ -91,8 +92,9 @@ impl Subcommand for Opts {
.iter()
.flat_map(|conv_funs| {
let conv_types = &conv_funs.conv_types;
let mut conv_funs = helpers::create_conv_funs(conv_funs).unwrap();
helpers::convolve(
let mut conv_funs =
helpers::create_conv_funs_with_backend(conv_funs, cfg.pdf_backend).unwrap();
helpers::convolve_with_backend(
&grid,
&mut conv_funs,
conv_types,
Expand Down
189 changes: 188 additions & 1 deletion pineappl_cli/src/helpers.rs
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@@ -1,3 +1,4 @@
use super::pdf_backend::{self, Backend, ForcePositive, PdfBackend, PdfSetBackend};
use super::GlobalConfiguration;
use anyhow::{anyhow, bail, Context, Error, Result};
use itertools::Itertools;
Expand Down Expand Up @@ -64,6 +65,7 @@ impl FromStr for ConvFuns {
}
}

/// Creates convolution functions using LHAPDF backend (legacy).
pub fn create_conv_funs(funs: &ConvFuns) -> Result<Vec<Pdf>> {
Ok(funs
.lhapdf_names
Expand All @@ -82,6 +84,22 @@ pub fn create_conv_funs(funs: &ConvFuns) -> Result<Vec<Pdf>> {
.collect::<Result<_, _>>()?)
}

/// Creates convolution functions using the specified backend.
pub fn create_conv_funs_with_backend(
funs: &ConvFuns,
backend: Backend,
) -> Result<Vec<Box<dyn PdfBackend>>> {
funs.lhapdf_names
.iter()
.zip(&funs.members)
.map(|(name, member)| {
let member = member.unwrap_or(0);
pdf_backend::create_pdf(name, member, backend)
})
.collect()
}

/// Creates convolution functions for a PDF set using LHAPDF backend (legacy).
pub fn create_conv_funs_for_set(
funs: &ConvFuns,
index_of_set: usize,
Expand Down Expand Up @@ -115,6 +133,30 @@ pub fn create_conv_funs_for_set(
Ok((set, conv_funs))
}

/// Creates convolution functions for a PDF set using the specified backend.
///
/// Returns a tuple of (`PdfSetBackend`, Vec<Vec<Box<dyn PdfBackend>>>).
pub fn create_conv_funs_for_set_with_backend(
funs: &ConvFuns,
index_of_set: usize,
backend: Backend,
) -> Result<(Box<dyn PdfSetBackend>, Vec<Vec<Box<dyn PdfBackend>>>)> {
let setname = &funs.lhapdf_names[index_of_set];
let set = pdf_backend::create_pdf_set(setname, backend)?;

let set_members = set.mk_pdfs()?;
let conv_funs = set_members
.into_iter()
.map(|member_pdf| {
let mut conv_funs = create_conv_funs_with_backend(funs, backend)?;
conv_funs[index_of_set] = member_pdf;
Ok::<_, Error>(conv_funs)
})
.collect::<Result<_, _>>()?;

Ok((set, conv_funs))
}

pub fn read_grid(input: &Path) -> Result<Grid> {
Grid::read(File::open(input).context(format!("unable to open '{}'", input.display()))?)
.context(format!("unable to read '{}'", input.display()))
Expand Down Expand Up @@ -238,6 +280,7 @@ pub enum ConvoluteMode {
Normal,
}

/// Performs convolution with scale variations using LHAPDF backend (legacy).
pub fn convolve_scales(
grid: &Grid,
conv_funs: &mut [Pdf],
Expand Down Expand Up @@ -321,8 +364,125 @@ pub fn convolve_scales(
match mode {
ConvoluteMode::Asymmetry => {
let bin_count = grid.bwfl().len();
assert!((bins.is_empty() || (bins.len() == bin_count)) && (bin_count % 2 == 0));

// calculating the asymmetry for a subset of bins doesn't work
results
.iter()
.skip((bin_count / 2) * scales.len())
.zip(
results
.chunks_exact(scales.len())
.take(bin_count / 2)
.rev()
.flatten(),
)
.map(|(pos, neg)| (pos - neg) / (pos + neg))
.collect()
}
ConvoluteMode::Integrated => {
results
.iter_mut()
.zip(
grid.bwfl()
.normalizations()
.into_iter()
.enumerate()
.filter(|(index, _)| bins.is_empty() || bins.contains(index))
.flat_map(|(_, norm)| iter::repeat(norm).take(scales.len())),
)
.for_each(|(value, norm)| *value *= norm);

results
}
ConvoluteMode::Normal => results,
}
}

/// Performs convolution with scale variations using the backend abstraction.
#[allow(clippy::too_many_arguments)]
pub fn convolve_scales_with_backend(
grid: &Grid,
conv_funs: &mut [Box<dyn PdfBackend>],
conv_types: &[ConvType],
orders: &[(u8, u8)],
bins: &[usize],
channels: &[bool],
scales: &[(f64, f64, f64)],
mode: ConvoluteMode,
cfg: &GlobalConfiguration,
) -> Vec<f64> {
let orders: Vec<_> = grid
.orders()
.iter()
.map(|order| {
orders.is_empty()
|| orders
.iter()
.any(|other| (order.alphas == other.0) && (order.alpha == other.1))
})
.collect();

if cfg.force_positive {
for fun in conv_funs.iter_mut() {
fun.set_force_positive(ForcePositive::ClipNegative);
}
}

// TODO: promote this to an error
assert!(
cfg.use_alphas_from < conv_funs.len(),
"expected `use_alphas_from` to be an integer within `[0, {})`, but got `{}`",
conv_funs.len(),
cfg.use_alphas_from
);

let x_min_max: Vec<_> = conv_funs
.iter_mut()
.map(|fun| (fun.x_min(), fun.x_max()))
.collect();

let mut funs: Vec<_> = conv_funs
.iter()
.zip(&x_min_max)
.map(|(fun, &(x_min, x_max))| {
move |id: i32, x: f64, q2: f64| {
if !cfg.allow_extrapolation && (x < x_min || x > x_max) {
0.0
} else {
fun.xfx_q2(id, x, q2)
}
}
})
.collect();

let xfx: Vec<_> = funs
.iter_mut()
.map(|fun| fun as &mut dyn FnMut(i32, f64, f64) -> f64)
.collect();

let mut alphas_funs: Vec<_> = conv_funs
.iter()
.map(|fun| {
let fun_ref = fun.as_ref();
move |q2: f64| fun_ref.alphas_q2(q2)
})
.collect();

let convolutions: Vec<_> = conv_funs
.iter()
.zip(conv_types)
.map(|(fun, &conv_type)| {
let pid = fun.particle_id();
Conv::new(conv_type, pid)
})
.collect();

let mut cache = ConvolutionCache::new(convolutions, xfx, &mut alphas_funs[cfg.use_alphas_from]);
let mut results = grid.convolve(&mut cache, &orders, bins, channels, scales);

match mode {
ConvoluteMode::Asymmetry => {
let bin_count = grid.bwfl().len();
assert!((bins.is_empty() || (bins.len() == bin_count)) && (bin_count % 2 == 0));

results
Expand Down Expand Up @@ -373,6 +533,7 @@ pub fn scales_vector(grid: &Grid, scales: usize) -> &[(f64, f64, f64)] {
}
}

/// Performs convolution using LHAPDF backend (legacy).
pub fn convolve(
grid: &Grid,
conv_funs: &mut [Pdf],
Expand All @@ -397,6 +558,32 @@ pub fn convolve(
)
}

/// Performs convolution using the backend abstraction.
#[allow(clippy::too_many_arguments)]
pub fn convolve_with_backend(
grid: &Grid,
conv_funs: &mut [Box<dyn PdfBackend>],
conv_types: &[ConvType],
orders: &[(u8, u8)],
bins: &[usize],
lumis: &[bool],
scales: usize,
mode: ConvoluteMode,
cfg: &GlobalConfiguration,
) -> Vec<f64> {
convolve_scales_with_backend(
grid,
conv_funs,
conv_types,
orders,
bins,
lumis,
scales_vector(grid, scales),
mode,
cfg,
)
}

pub fn convolve_limits(grid: &Grid, bins: &[usize], mode: ConvoluteMode) -> Vec<Vec<(f64, f64)>> {
let limits: Vec<_> = grid
.bwfl()
Expand Down
4 changes: 4 additions & 0 deletions pineappl_cli/src/lib.rs
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Expand Up @@ -14,6 +14,7 @@ mod helpers;
mod import;
mod merge;
mod orders;
pub mod pdf_backend;
mod plot;
mod pull;
mod read;
Expand Down Expand Up @@ -41,6 +42,9 @@ pub struct GlobalConfiguration {
/// Choose the PDF/FF set for the strong coupling.
#[arg(default_value = "0", long, value_name = "IDX")]
pub use_alphas_from: usize,
/// Select the PDF interpolation backend: 'lhapdf' or 'neopdf'.
#[arg(default_value = "lhapdf", long, value_name = "BACKEND")]
pub pdf_backend: pdf_backend::Backend,
}

#[enum_dispatch]
Expand Down
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