Merge branch 'master' into rustify-ekore-2

.github/workflows/pypi.yml

@@ -7,7 +7,7 @@ on:
 
 jobs:
   publish:
-    uses: N3PDF/workflows/.github/workflows/python-poetry-pypi.yml@v2
+    uses: NNPDF/workflows/.github/workflows/python-poetry-pypi.yml@v2
     secrets:
       PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}
     with:

.github/workflows/unittests.yml

@@ -9,7 +9,7 @@ jobs:
         python-version: ["3.9", "3.10", "3.11", "3.12"]
       fail-fast: false
 
-    uses: N3PDF/workflows/.github/workflows/python-poetry-tests.yml@v2
+    uses: NNPDF/workflows/.github/workflows/python-poetry-tests.yml@v2
     with:
       python-version: ${{ matrix.python-version }}
       poetry-extras: "-E mark -E box"

.pre-commit-config.yaml

@@ -19,7 +19,7 @@ repos:
       - id: pycln
         args: [--config=pyproject.toml]
   - repo: https://github.com/psf/black-pre-commit-mirror
-    rev: 24.4.0
+    rev: 24.4.2
     hooks:
       - id: black
   - repo: https://github.com/asottile/blacken-docs
@@ -62,6 +62,6 @@ repos:
       files: ^crates/ekore/.*\.rs$
       args: []
   - repo: https://github.com/pre-commit/pre-commit
-    rev: v3.7.0
+    rev: v3.7.1
     hooks:
       - id: validate_manifest

benchmarks/ekore/benchmark_ad.py → benchmarks/ekore/benchmark_pegasus_ad_us_as2.py

@@ -1,4 +1,7 @@
-"""Benchmark the NLO anomalous dimensions against PEGASUS"""
+"""Benchmark the unpolarized NLO anomalous dimensions against PEGASUS.
+
+Recall that we obtained our representation not from PEGASUS, but derived it
+ourselves (see comment there)."""
 
 import numpy as np
 import pytest
@@ -8,39 +11,6 @@
 from eko.constants import CA, CF, TR, zeta2, zeta3
 
 
-@pytest.mark.isolated
-def benchmark_melling_g3_pegasus():
-    for N in [1, 2, 3, 4, 1 + 1j, 1 - 1j, 2 + 1j, 3 + 1j]:
-        check_melling_g3_pegasus(N)
-
-
-def check_melling_g3_pegasus(N):
-    S1 = h.S1(N)
-    N1 = N + 1.0
-    N2 = N + 2.0
-    N3 = N + 3.0
-    N4 = N + 4.0
-    N5 = N + 5.0
-    N6 = N + 6.0
-    S11 = S1 + 1.0 / N1
-    S12 = S11 + 1.0 / N2
-    S13 = S12 + 1.0 / N3
-    S14 = S13 + 1.0 / N4
-    S15 = S14 + 1.0 / N5
-    S16 = S15 + 1.0 / N6
-
-    SPMOM = (
-        1.0000 * (zeta2 - S1 / N) / N
-        - 0.9992 * (zeta2 - S11 / N1) / N1
-        + 0.9851 * (zeta2 - S12 / N2) / N2
-        - 0.9005 * (zeta2 - S13 / N3) / N3
-        + 0.6621 * (zeta2 - S14 / N4) / N4
-        - 0.3174 * (zeta2 - S15 / N5) / N5
-        + 0.0699 * (zeta2 - S16 / N6) / N6
-    )
-    np.testing.assert_allclose(h.g_functions.mellin_g3(N, S1), SPMOM)
-
-
 @pytest.mark.isolated
 def benchmark_gamma_ns_1_pegasus():
     # remember that singlet has pole at N=1
@@ -54,7 +24,6 @@ def check_gamma_1_pegasus(N, NF):
     ZETA2 = zeta2
     ZETA3 = zeta3
 
-    # N = np.random.rand(1) + np.random.rand(1) * 1j
     S1 = h.S1(N)
     S2 = h.S2(N)
 

benchmarks/ekore/benchmark_pegasus_mellin.py

@@ -0,0 +1,41 @@
+"""Benchmark the Mellin transforms against PEGASUS."""
+
+import numpy as np
+import pytest
+
+import ekore.anomalous_dimensions.unpolarized.space_like.as2 as ad_as2
+import ekore.harmonics as h
+from eko.constants import CA, CF, TR, zeta2, zeta3
+
+
+@pytest.mark.isolated
+def benchmark_melling_g3_pegasus():
+    for N in [1, 2, 3, 4, 1 + 1j, 1 - 1j, 2 + 1j, 3 + 1j]:
+        check_melling_g3_pegasus(N)
+
+
+def check_melling_g3_pegasus(N):
+    S1 = h.S1(N)
+    N1 = N + 1.0
+    N2 = N + 2.0
+    N3 = N + 3.0
+    N4 = N + 4.0
+    N5 = N + 5.0
+    N6 = N + 6.0
+    S11 = S1 + 1.0 / N1
+    S12 = S11 + 1.0 / N2
+    S13 = S12 + 1.0 / N3
+    S14 = S13 + 1.0 / N4
+    S15 = S14 + 1.0 / N5
+    S16 = S15 + 1.0 / N6
+
+    SPMOM = (
+        1.0000 * (zeta2 - S1 / N) / N
+        - 0.9992 * (zeta2 - S11 / N1) / N1
+        + 0.9851 * (zeta2 - S12 / N2) / N2
+        - 0.9005 * (zeta2 - S13 / N3) / N3
+        + 0.6621 * (zeta2 - S14 / N4) / N4
+        - 0.3174 * (zeta2 - S15 / N5) / N5
+        + 0.0699 * (zeta2 - S16 / N6) / N6
+    )
+    np.testing.assert_allclose(h.g_functions.mellin_g3(N, S1), SPMOM)

benchmarks/ekore/benchmark_pegasus_ome_ps_as2.py

@@ -0,0 +1,199 @@
+"""Benchmark the polarized NNLO OME against PEGASUS"""
+
+import numpy as np
+import pytest
+
+import ekore.harmonics as h
+import ekore.operator_matrix_elements.polarized.space_like.as2 as ome_as2
+from eko.constants import CA, CF, TR, zeta2, zeta3
+
+
+@pytest.mark.isolated
+def benchmark_pegasus_ome_ps_as2():
+    # remember that singlet has pole at N=1
+    for N in [2, 3, 4, +1j, -1j, +1j, +1j]:
+        for NF in [3, 4, 5]:
+            check_pegasus_ome_ps_as2_s(N, NF)
+
+
+def check_pegasus_ome_ps_as2_s(N, NF):
+    # Test against pegasus implementation by Ignacio Borsa
+    ZETA2 = zeta2
+    ZETA3 = zeta3
+
+    S1 = h.S1(N)
+    S2 = h.S2(N)
+    S3 = h.S3(N)
+    #
+    NM = N - 1.0
+    N1 = N + 1.0
+    N2 = N + 2.0
+    NI = 1.0 / N
+    NMI = 1.0 / NM
+    N1I = 1.0 / N1
+    N2I = 1.0 / N2
+    #
+    S1M = S1 - NI
+    S2M = S2 - NI * NI
+    S3M = S3 - NI**3
+    S11 = S1 + N1I
+    S21 = S2 + N1I * N1I
+    S31 = S3 + N1I**3
+    S22 = S21 + N2I * N2I
+    ACG3 = h.g_functions.mellin_g3(N1, S11)
+    #
+    #   CALL BET(N1,V1)
+    #   CALL BET1(N1,V2)
+    #   CALL BET2(N1,V3)
+    #   CALL BET3(N1,V4)
+    V1 = (
+        h.polygamma.cern_polygamma((N1 + 1.0) / 2.0, 0)
+        - h.polygamma.cern_polygamma(N1 / 2.0, 0)
+    ) / 2.0
+    V2 = (
+        h.polygamma.cern_polygamma((N1 + 1.0) / 2.0, 1)
+        - h.polygamma.cern_polygamma(N1 / 2.0, 1)
+    ) / 4.0
+    V3 = (
+        h.polygamma.cern_polygamma((N1 + 1.0) / 2.0, 2)
+        - h.polygamma.cern_polygamma(N1 / 2.0, 2)
+    ) / 8.0
+    #
+    #
+    # ..The moments of the OME's DA_Hq^{PS,(2)} and DA_Hg^{S,(2)} given in
+    #    Eqs. (138) and (111) of BBDKS. Note that for the former, an
+    #    additional finite renormalization is needed to go from the Larin
+    #    to the the M scheme
+    #
+    #
+    # ... Anomalous dimension terms
+    #
+    G0QG_HAT = -8 * TR * NM / N / N1
+    #
+    G0GQ = -4 * CF * N2 / N / N1
+    #
+    G0QQ = -CF * (2 * (2.0 + 3.0 * N + 3.0 * N**2) / N / N1 - 8.0 * S1)
+    #
+    # ... Polinomials in N
+    POL1 = (
+        12 * N**8 + 52 * N**7 + 60 * N**6 - 25 * N**4 - 2 * N**3 + 3 * N**2 + 8 * N + 4
+    )
+    #
+    POL2 = (
+        2.0 * N**8
+        + 10.0 * N**7
+        + 22.0 * N**6
+        + 36.0 * N**5
+        + 29.0 * N**4
+        + 4.0 * N**3
+        + 33.0 * N**2
+        + 12.0 * N
+        + 4
+    )
+    #
+    POLR3 = 15 * N**6 + 45 * N**5 + 374 * N**4 + 601 * N**3 + 161 * N**2 - 24 * N + 36
+    #
+    POLR8 = (
+        -15 * N**8
+        - 60 * N**7
+        - 82 * N**6
+        - 44 * N**5
+        - 15 * N**4
+        - 4 * N**2
+        - 12 * N
+        - 8
+    )
+    #
+    # ... Finite renormalization term from Larin to M scheme
+    #
+    ZQQPS = -CF * TR * 8 * N2 * (N**2 - N - 1.0) / N**3 / N1**3
+    #
+    A2HQ = (
+        -4
+        * CF
+        * TR
+        * N2
+        / N**2
+        / N1**2
+        * (NM * (2 * S2 + ZETA2) - (4 * N**3 - 4 * N**2 - 3 * N - 1) / N**2 / N1**2)
+        + ZETA2 / 8 * G0QG_HAT * G0GQ
+    )
+    #
+    #
+    A2HG = (
+        CF
+        * TR
+        * (
+            4.0
+            / 3
+            * NM
+            / N
+            / N1
+            * (-4.0 * S3 + S1**3 + 3.0 * S1 * S2 + 6.0 * S1 * ZETA2)
+            - 4
+            * (N**4 + 17.0 * N**3 + 43.0 * N**2 + 33.0 * N + 2)
+            * S2
+            / N**2
+            / N1**2
+            / N2
+            - 4 * (3.0 * N**2 + 3.0 * N - 2) * S1**2 / N**2 / N1 / N2
+            - 2 * NM * (3.0 * N**2 + 3.0 * N + 2) * ZETA2 / N**2 / N1**2
+            - 4 * (N**3 - 2.0 * N**2 - 22.0 * N - 36) * S1 / N**2 / N1 / N2
+            - 2 * POL1 / N**4 / N1**4 / N2
+        )
+        + CA
+        * TR
+        * (
+            4 * (N**2 + 4.0 * N + 5) * S1**2 / N / N1**2 / N2
+            + 4 * (7.0 * N**3 + 24.0 * N**2 + 15.0 * N - 16) * S2 / N**2 / N1**2 / N2
+            + 8 * NM * N2 * ZETA2 / N**2 / N1**2
+            + 4 * (N**4 + 4.0 * N**3 - N**2 - 10.0 * N + 2) * S1 / N / N1**3 / N2
+            - 4 * POL2 / N**4 / N1**4 / N2
+            - 16 * NM / N / N1**2 * V2
+            + 4
+            * NM
+            / 3.0
+            / N
+            / N1
+            * (
+                12.0 * ACG3
+                + 3.0 * V3
+                - 8.0 * S3
+                - S1**3
+                - 9.0 * S1 * S2
+                - 12.0 * S1 * V2
+                - 12.0 * V1 * ZETA2
+                - 3.0 * ZETA3
+            )
+        )
+        # ...  added simplified Gamma0_gg+2*beta0
+        + 1 / 8 * G0QG_HAT * (8 * CA * (-2.0 / N / N1 + S1) - G0QQ)
+    )
+    #
+    # ..The moments of the OME's DA_{gq,H}^{S,(2)} and DA_{gg,H}^{S,(2)}
+    #    given in Eqs. (175) and (188) of Bierenblaum et al.
+    #
+    A2GQ = (
+        CF
+        * TR
+        * N2
+        * (
+            8 * (22.0 + 41.0 * N + 28.0 * N**2) / 27.0 / N / N1**3
+            - 8 * (2.0 + 5.0 * N) * S1 / 9.0 / N / N1**2
+            + 4 * (S1**2 + S2) / 3.0 / N / N1
+        )
+    )
+    #
+    A2GG = (
+        CA
+        * TR
+        * (2 * POLR3 / 27.0 / N**3 / N1**3 - 4 * (47.0 + 56.0 * N) * S1 / 27.0 / N1)
+        + CF * TR * POLR8 / N**4 / N1**4
+    )
+
+    cache = h.cache.reset()
+    omeS2 = ome_as2.A_singlet(N, cache, 0.0, NF)
+    np.testing.assert_allclose(omeS2[0, 0], A2GG, err_msg=f"gg,{N=}")
+    np.testing.assert_allclose(omeS2[0, 1], A2GQ, err_msg=f"gq,{N=}")
+    np.testing.assert_allclose(omeS2[2, 1], A2HQ + NF * ZQQPS, err_msg=f"hq,{N=}")
+    np.testing.assert_allclose(omeS2[2, 0], A2HG, err_msg=f"hg,{N=}")