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@ricardoV94 ricardoV94 commented Nov 29, 2024

Closes #935
Closes #931

The implementation for multiple axes no longer operates one axis at a time. Here are the benchmarks for the Sum test before and after this PR:

NUMBA Before: ---------------------------------------------------------------------------------------------------------- benchmark: 14 tests ----------------------------------------------------------------------------------------------------------- Name (time in ms) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ test_careduce_benchmark[c_contiguous=True-axis=None] 6.0967 (1.0) 7.5594 (1.0) 6.2753 (1.0) 0.2068 (1.13) 6.2230 (1.0) 0.0879 (1.0) 14;17 159.3552 (1.0) 158 1 test_careduce_benchmark[c_contiguous=True-axis=(1, 2)] 14.3584 (2.36) 15.3677 (2.03) 14.5429 (2.32) 0.1825 (1.0) 14.5005 (2.33) 0.1169 (1.33) 5;4 68.7621 (0.43) 70 1 test_careduce_benchmark[c_contiguous=True-axis=(0, 2)] 14.6134 (2.40) 24.6524 (3.26) 15.2444 (2.43) 1.4982 (8.21) 14.8519 (2.39) 0.2748 (3.13) 4;9 65.5977 (0.41) 69 1 test_careduce_benchmark[c_contiguous=True-axis=2] 23.1851 (3.80) 39.2687 (5.19) 35.4508 (5.65) 5.1560 (28.26) 38.1168 (6.13) 3.7166 (42.30) 4;4 28.2081 (0.18) 28 1 test_careduce_benchmark[c_contiguous=True-axis=1] 41.4532 (6.80) 42.5562 (5.63) 41.9859 (6.69) 0.2191 (1.20) 42.0163 (6.75) 0.2281 (2.60) 6;2 23.8175 (0.15) 24 1 test_careduce_benchmark[c_contiguous=True-axis=(0, 1)] 41.5490 (6.81) 45.7928 (6.06) 42.8554 (6.83) 1.1483 (6.29) 42.5019 (6.83) 0.8048 (9.16) 4;3 23.3343 (0.15) 24 1 test_careduce_benchmark[c_contiguous=False-axis=None] 165.3848 (27.13) 174.0071 (23.02) 168.2743 (26.82) 3.3571 (18.40) 167.2065 (26.87) 4.1945 (47.74) 1;0 5.9427 (0.04) 6 1 test_careduce_benchmark[c_contiguous=False-axis=2] 174.8747 (28.68) 190.2124 (25.16) 179.4774 (28.60) 5.5442 (30.39) 178.5084 (28.69) 3.6153 (41.15) 1;1 5.5717 (0.03) 6 1 test_careduce_benchmark[c_contiguous=False-axis=(1, 2)] 174.9006 (28.69) 177.3417 (23.46) 176.2445 (28.09) 0.8405 (4.61) 176.1939 (28.31) 0.9043 (10.29) 2;0 5.6739 (0.04) 6 1 test_careduce_benchmark[c_contiguous=False-axis=1] 197.9328 (32.47) 203.0997 (26.87) 200.9122 (32.02) 2.5227 (13.83) 202.5147 (32.54) 4.4556 (50.71) 1;0 4.9773 (0.03) 5 1 test_careduce_benchmark[c_contiguous=False-axis=(0, 2)] 199.6480 (32.75) 206.9815 (27.38) 203.5135 (32.43) 3.2742 (17.94) 203.4289 (32.69) 6.0479 (68.83) 2;0 4.9137 (0.03) 5 1 test_careduce_benchmark[c_contiguous=False-axis=(0, 1)] 204.7145 (33.58) 209.9537 (27.77) 206.4983 (32.91) 2.1112 (11.57) 206.2483 (33.14) 2.6657 (30.34) 1;0 4.8427 (0.03) 5 1 test_careduce_benchmark[c_contiguous=False-axis=0] 888.5353 (145.74) 1,002.9280 (132.67) 939.2021 (149.67) 47.3530 (259.52) 924.2738 (148.53) 77.3944 (880.83) 2;0 1.0647 (0.01) 5 1 test_careduce_benchmark[c_contiguous=True-axis=0] 1,004.1833 (164.71) 1,171.4621 (154.97) 1,106.3967 (176.31) 65.4015 (358.44) 1,121.6751 (180.25) 88.7262 (>1000.0) 1;0 0.9038 (0.01) 5 1 ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ NUMBA After: ------------------------------------------------------------------------------------------------------ benchmark: 14 tests ------------------------------------------------------------------------------------------------------- Name (time in ms) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- test_careduce_benchmark[c_contiguous=True-axis=None] 5.3386 (1.0) 7.1268 (1.0) 6.1742 (1.0) 0.3182 (3.79) 6.1859 (1.0) 0.1687 (1.25) 52;42 161.9631 (1.0) 182 1 test_careduce_benchmark[c_contiguous=True-axis=1] 8.8967 (1.67) 13.4488 (1.89) 10.0940 (1.63) 1.1528 (13.73) 9.6278 (1.56) 1.5788 (11.67) 17;4 99.0684 (0.61) 94 1 test_careduce_benchmark[c_contiguous=True-axis=(0, 1)] 10.3976 (1.95) 13.2198 (1.85) 10.6963 (1.73) 0.3954 (4.71) 10.5585 (1.71) 0.2725 (2.02) 8;5 93.4903 (0.58) 94 1 test_careduce_benchmark[c_contiguous=True-axis=(0, 2)] 13.8707 (2.60) 14.7292 (2.07) 14.2018 (2.30) 0.2990 (3.56) 14.0646 (2.27) 0.5905 (4.37) 28;0 70.4137 (0.43) 71 1 test_careduce_benchmark[c_contiguous=True-axis=(1, 2)] 14.5889 (2.73) 14.9401 (2.10) 14.7559 (2.39) 0.0840 (1.0) 14.7547 (2.39) 0.1352 (1.0) 27;0 67.7696 (0.42) 68 1 test_careduce_benchmark[c_contiguous=True-axis=0] 14.7935 (2.77) 17.8587 (2.51) 15.7053 (2.54) 0.9524 (11.34) 15.2319 (2.46) 1.5442 (11.42) 13;0 63.6727 (0.39) 65 1 test_careduce_benchmark[c_contiguous=True-axis=2] 22.5702 (4.23) 38.0029 (5.33) 30.4078 (4.92) 7.3567 (87.62) 36.7073 (5.93) 14.7076 (108.76) 21;0 32.8863 (0.20) 44 1 test_careduce_benchmark[c_contiguous=False-axis=None] 167.2684 (31.33) 172.2568 (24.17) 168.6540 (27.32) 1.8952 (22.57) 167.9704 (27.15) 1.6657 (12.32) 1;1 5.9293 (0.04) 6 1 test_careduce_benchmark[c_contiguous=False-axis=1] 173.8041 (32.56) 176.8286 (24.81) 175.0461 (28.35) 1.1514 (13.71) 174.8555 (28.27) 1.5803 (11.69) 2;0 5.7128 (0.04) 6 1 test_careduce_benchmark[c_contiguous=False-axis=0] 175.8450 (32.94) 178.8685 (25.10) 177.4204 (28.74) 1.2897 (15.36) 177.7929 (28.74) 2.4946 (18.45) 3;0 5.6363 (0.03) 6 1 test_careduce_benchmark[c_contiguous=False-axis=(1, 2)] 180.2156 (33.76) 181.9736 (25.53) 181.2290 (29.35) 0.6001 (7.15) 181.2596 (29.30) 0.5724 (4.23) 2;0 5.5179 (0.03) 6 1 test_careduce_benchmark[c_contiguous=False-axis=(0, 2)] 182.3413 (34.16) 185.7313 (26.06) 184.1320 (29.82) 1.1762 (14.01) 184.2766 (29.79) 1.2764 (9.44) 2;0 5.4309 (0.03) 6 1 test_careduce_benchmark[c_contiguous=False-axis=2] 194.9572 (36.52) 283.0956 (39.72) 231.4646 (37.49) 34.2189 (407.53) 224.2623 (36.25) 55.8371 (412.91) 2;0 4.3203 (0.03) 6 1 test_careduce_benchmark[c_contiguous=False-axis=(0, 1)] 202.0370 (37.84) 261.3171 (36.67) 222.9340 (36.11) 26.6018 (316.82) 207.2764 (33.51) 42.3533 (313.20) 1;0 4.4856 (0.03) 5 1 ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 

Note that we have a special dispatch for Sum(axes=None) introduced in #92, so the changes are not reflected in that benchmark. I temporarily disabled the special dispatch, to confirm that case is still improved:

NUMBA Before (default CAReduce impl): ----------------------------------------------------------------------------------------------------- benchmark: 2 tests ---------------------------------------------------------------------------------------------------- Name (time in ms) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- test_careduce_benchmark[c_contiguous=True-axis=None] 14.3855 (1.0) 14.8842 (1.0) 14.5902 (1.0) 0.0985 (1.0) 14.5816 (1.0) 0.1100 (1.0) 18;4 68.5389 (1.0) 70 1 test_careduce_benchmark[c_contiguous=False-axis=None] 203.1434 (14.12) 208.9211 (14.04) 205.1373 (14.06) 2.2386 (22.74) 204.2839 (14.01) 2.2561 (20.51) 1;0 4.8748 (0.07) 5 1 ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- NUMBA After (default CAReduce impl): ----------------------------------------------------------------------------------------------------- benchmark: 2 tests ----------------------------------------------------------------------------------------------------- Name (time in ms) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ test_careduce_benchmark[c_contiguous=True-axis=None] 7.6042 (1.0) 9.2345 (1.0) 8.0017 (1.0) 0.3589 (1.0) 7.8468 (1.0) 0.5667 (1.0) 30;1 124.9732 (1.0) 129 1 test_careduce_benchmark[c_contiguous=False-axis=None] 173.5030 (22.82) 179.8559 (19.48) 176.4238 (22.05) 2.4490 (6.82) 175.8669 (22.41) 3.9248 (6.93) 2;0 5.6682 (0.05) 6 1 ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 

Because it is still a bit slower, and this is the most common reduction, I decided to leave the special case.

Numba doesn't seem to optimize non-contiguous arrays very well. The C backend implementation with explicit loop reordering written in #971 does not show such a penalty.

C-implementation ------------------------------------------------------------------------------------------------------ benchmark: 14 tests ------------------------------------------------------------------------------------------------------ Name (time in ms) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- test_careduce_benchmark[c_contiguous=True-axis=1] 6.7267 (1.0) 12.1475 (1.29) 8.0947 (1.07) 0.7214 (2.82) 8.0757 (1.09) 0.5199 (4.52) 33;10 123.5382 (0.94) 123 1 test_careduce_benchmark[c_contiguous=True-axis=0] 7.1908 (1.07) 9.4370 (1.0) 7.5843 (1.0) 0.4038 (1.58) 7.4319 (1.0) 0.3982 (3.46) 21;8 131.8516 (1.0) 148 1 test_careduce_benchmark[c_contiguous=True-axis=(0, 1)] 7.2123 (1.07) 9.7355 (1.03) 8.1594 (1.08) 0.4370 (1.71) 8.1734 (1.10) 0.1904 (1.65) 31;33 122.5583 (0.93) 128 1 test_careduce_benchmark[c_contiguous=False-axis=(1, 2)] 8.0725 (1.20) 11.4813 (1.22) 8.5335 (1.13) 0.5003 (1.96) 8.3601 (1.12) 0.3283 (2.85) 8;8 117.1858 (0.89) 82 1 test_careduce_benchmark[c_contiguous=True-axis=None] 13.8293 (2.06) 18.6684 (1.98) 14.3862 (1.90) 0.8901 (3.48) 14.0311 (1.89) 0.4894 (4.25) 10;11 69.5112 (0.53) 72 1 test_careduce_benchmark[c_contiguous=False-axis=None] 13.8392 (2.06) 15.6759 (1.66) 14.0091 (1.85) 0.2654 (1.04) 13.9427 (1.88) 0.1151 (1.0) 5;5 71.3823 (0.54) 72 1 test_careduce_benchmark[c_contiguous=True-axis=2] 45.2172 (6.72) 58.6688 (6.22) 46.8904 (6.18) 3.5423 (13.84) 45.6780 (6.15) 0.5301 (4.60) 2;3 21.3263 (0.16) 22 1 test_careduce_benchmark[c_contiguous=False-axis=(0, 1)] 45.2255 (6.72) 49.0917 (5.20) 46.6270 (6.15) 1.1743 (4.59) 46.1825 (6.21) 1.7203 (14.94) 8;0 21.4468 (0.16) 22 1 test_careduce_benchmark[c_contiguous=True-axis=(0, 2)] 45.2671 (6.73) 46.1873 (4.89) 45.6296 (6.02) 0.2559 (1.0) 45.5888 (6.13) 0.3778 (3.28) 6;0 21.9156 (0.17) 22 1 test_careduce_benchmark[c_contiguous=False-axis=0] 45.7718 (6.80) 49.9460 (5.29) 46.9616 (6.19) 0.9911 (3.87) 46.7856 (6.30) 1.2120 (10.53) 8;1 21.2940 (0.16) 22 1 test_careduce_benchmark[c_contiguous=True-axis=(1, 2)] 48.4265 (7.20) 54.0043 (5.72) 48.9075 (6.45) 1.1805 (4.61) 48.6437 (6.55) 0.1659 (1.44) 1;2 20.4468 (0.16) 21 1 test_careduce_benchmark[c_contiguous=False-axis=(0, 2)] 48.9519 (7.28) 53.3287 (5.65) 49.9922 (6.59) 1.1338 (4.43) 49.5702 (6.67) 1.1638 (10.11) 2;2 20.0031 (0.15) 20 1 test_careduce_benchmark[c_contiguous=False-axis=1] 87.3253 (12.98) 117.7347 (12.48) 97.1947 (12.82) 10.8305 (42.32) 93.1650 (12.54) 10.9362 (95.00) 2;1 10.2886 (0.08) 10 1 test_careduce_benchmark[c_contiguous=False-axis=2] 94.2052 (14.00) 123.4957 (13.09) 109.8449 (14.48) 9.9904 (39.04) 109.6667 (14.76) 13.5596 (117.79) 3;0 9.1037 (0.07) 9 1 --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 

Finally we also see an improvement in the slowest case of the pre-existing numba-logsumexp benchmark:

NUMBA Before: --------------------------------------------------------------------------------------------------------------- benchmark: 6 tests -------------------------------------------------------------------------------------------------------------- Name (time in us) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- test_logsumexp_benchmark[1-size0] 13.3750 (1.0) 49.2820 (1.11) 14.1633 (1.0) 1.1505 (1.0) 13.9560 (1.0) 0.2400 (1.0) 1242;1978 70,605.0384 (1.0) 30394 1 test_logsumexp_benchmark[0-size0] 13.9260 (1.04) 44.4430 (1.0) 16.3895 (1.16) 2.4661 (2.14) 15.9300 (1.14) 0.6010 (2.50) 873;3072 61,014.4931 (0.86) 10928 1 test_logsumexp_benchmark[1-size1] 9,546.4760 (713.76) 11,210.3610 (252.24) 9,762.2832 (689.27) 212.6699 (184.84) 9,756.4640 (699.09) 193.6830 (807.01) 8;2 102.4351 (0.00) 78 1 test_logsumexp_benchmark[0-size1] 10,306.7690 (770.60) 13,220.6750 (297.47) 10,757.3244 (759.52) 553.2049 (480.82) 10,552.3635 (756.12) 389.2280 (>1000.0) 11;10 92.9599 (0.00) 74 1 test_logsumexp_benchmark[1-size2] 1,368,416.7610 (>1000.0) 1,399,692.1620 (>1000.0) 1,382,021.1000 (>1000.0) 13,889.7094 (>1000.0) 1,376,665.6560 (>1000.0) 24,415.4015 (>1000.0) 1;0 0.7236 (0.00) 5 1 test_logsumexp_benchmark[0-size2] 2,741,798.7080 (>1000.0) 3,161,025.8590 (>1000.0) 2,877,190.6602 (>1000.0) 184,517.6885 (>1000.0) 2,760,426.2470 (>1000.0) 266,215.4525 (>1000.0) 1;0 0.3476 (0.00) 5 1 ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- NUMBA After: -------------------------------------------------------------------------------------------------------------- benchmark: 6 tests ------------------------------------------------------------------------------------------------------------- Name (time in us) Min Max Mean StdDev Median IQR Outliers OPS Rounds Iterations ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- test_logsumexp_benchmark[0-size0] 14.1960 (1.0) 230.8520 (4.02) 15.7622 (1.0) 3.4654 (1.60) 14.9680 (1.0) 0.4543 (1.16) 784;2537 63,443.0537 (1.0) 12349 1 test_logsumexp_benchmark[1-size0] 14.2470 (1.00) 57.4970 (1.0) 16.3850 (1.04) 2.1622 (1.0) 16.0000 (1.07) 0.3910 (1.0) 1971;7148 61,031.3361 (0.96) 26322 1 test_logsumexp_benchmark[0-size1] 8,908.0190 (627.50) 9,353.5040 (162.68) 9,067.2673 (575.26) 107.2531 (49.60) 9,036.6210 (603.73) 140.0220 (358.11) 26;1 110.2868 (0.00) 84 1 test_logsumexp_benchmark[1-size1] 9,565.0100 (673.78) 12,657.2000 (220.14) 10,572.0747 (670.72) 1,046.2932 (483.90) 10,191.3075 (680.87) 1,755.4770 (>1000.0) 13;0 94.5888 (0.00) 64 1 test_logsumexp_benchmark[0-size2] 1,284,855.3190 (>1000.0) 1,396,819.2750 (>1000.0) 1,319,934.6108 (>1000.0) 45,751.4029 (>1000.0) 1,313,243.5640 (>1000.0) 53,306.7305 (>1000.0) 1;0 0.7576 (0.00) 5 1 test_logsumexp_benchmark[1-size2] 1,354,385.0090 (>1000.0) 1,384,451.8370 (>1000.0) 1,367,609.9862 (>1000.0) 11,224.5104 (>1000.0) 1,364,489.5490 (>1000.0) 13,840.7880 (>1000.0) 2;0 0.7312 (0.00) 5 1 ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 
This Op does not really fit the CAReduce API, as it requires an extra bit of information (number of elements in the axis) during the loop. A better solution will be a fused Elemwise+CAReduce
@ricardoV94 ricardoV94 force-pushed the better_numba_careduce branch from bfa16dd to 2bc894a Compare November 29, 2024 14:38
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codecov bot commented Nov 29, 2024

Codecov Report

Attention: Patch coverage is 93.33333% with 3 lines in your changes missing coverage. Please review.

Project coverage is 82.10%. Comparing base (0824dba) to head (6268d99).
Report is 128 commits behind head on main.

Files with missing lines Patch % Lines
pytensor/link/numba/dispatch/elemwise.py 93.18% 2 Missing and 1 partial ⚠️
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@@ Coverage Diff @@ ## main #1109 +/- ## ========================================== - Coverage 82.12% 82.10% -0.03%  ========================================== Files 183 183 Lines 48111 48030 -81 Branches 8667 8658 -9 ========================================== - Hits 39510 39433 -77  + Misses 6435 6434 -1  + Partials 2166 2163 -3 
Files with missing lines Coverage Δ
pytensor/scalar/basic.py 80.50% <ø> (-0.19%) ⬇️
pytensor/tensor/math.py 91.85% <100.00%> (+0.53%) ⬆️
pytensor/link/numba/dispatch/elemwise.py 92.05% <93.18%> (-0.02%) ⬇️

... and 1 file with indirect coverage changes

@ricardoV94 ricardoV94 force-pushed the better_numba_careduce branch from 2bc894a to 79e8109 Compare November 29, 2024 16:14
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ricardoV94 commented Nov 29, 2024

Here is a direct comparison of C and numba backends for the non C-contiguous case:

import numpy as np import pytensor c_contiguous = False for transpose_in_graph in (True, False): rng = np.random.default_rng(123) N = 256 x_test = rng.uniform(size=(N, N, N)) transpose_axis = (0, 1, 2) if c_contiguous else (2, 0, 1) if not transpose_in_graph: x_test = x_test.transpose(transpose_axis) x = pytensor.shared(x_test, name="x", shape=x_test.shape, borrow=True) if transpose_in_graph: x = x.transpose(transpose_axis) out = x.sum(axis=0) c_fn = pytensor.function([], out, mode="FAST_COMPILE") numba_fn = pytensor.function([], out, mode="NUMBA").vm.jit_fn np.testing.assert_allclose(c_fn(), numba_fn()[0]) print(f"{transpose_in_graph=}") %timeit c_fn() %timeit numba_fn() # transpose_in_graph=True # 33.7 ms ± 2.25 ms per loop (mean ± std. dev. of 7 runs, 10 loops each) # 188 ms ± 4.05 ms per loop (mean ± std. dev. of 7 runs, 10 loops each) # transpose_in_graph=False # 33 ms ± 1.15 ms per loop (mean ± std. dev. of 7 runs, 10 loops each) # 103 ms ± 1.96 ms per loop (mean ± std. dev. of 7 runs, 10 loops each)

Airect numba implementation shows the same bad performance.

import numpy as np import numba c_contiguous = False rng = np.random.default_rng(123) N = 256 x_test = rng.uniform(size=(N, N, N)) transpose_axis = (0, 1, 2) if c_contiguous else (2, 0, 1) x_test = x_test.transpose(transpose_axis) out_dtype = np.float64 @numba.njit(fastmath=True, boundscheck=False) def careduce_add(x): x_shape = x.shape res_shape = (x_shape[1], x_shape[2]) res = np.full((x_shape[1], x_shape[2]), np.asarray(0.0).item(), dtype=out_dtype) for i0 in range(x_shape[0]): for i1 in range(x_shape[1]): for i2 in range(x_shape[2]): res[i1, i2] += x[i0, i1, i2] return res np.testing.assert_allclose(careduce_add(x_test), np.sum(x_test, 0)) %timeit careduce_add(x_test) # 136 ms ± 1.57 ms per loop (mean ± std. dev. of 7 runs, 10 loops each)
@ricardoV94 ricardoV94 force-pushed the better_numba_careduce branch from 79e8109 to 6268d99 Compare November 29, 2024 17:01
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Thanks for the walk through in the comparison @ricardoV94 , definitely interesting

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ricardoV94 commented Nov 29, 2024

Numba doing badly on the non-contiguous case is all due to loop ordering. LLVM doesn't reorder based on strides :(

Anyway this PR improves overall, better old speeds where just due to chance when the reduced loop was the one with smallest strides

@ricardoV94 ricardoV94 merged commit ef97287 into pymc-devs:main Nov 29, 2024
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@ricardoV94 ricardoV94 deleted the better_numba_careduce branch November 30, 2024 11:55
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