adding spherical attention

notebooks/train_sfno.ipynb

@@ -156,8 +156,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "model = SFNO(img_size=(nlat, nlon), grid=\"equiangular\",\n",
-    "                 num_layers=4, scale_factor=3, embed_dim=16, big_skip=True, pos_embed=\"lat\", use_mlp=False, normalization_layer=\"none\").to(device)\n"
+    "model = SFNO(spectral_transform='sht', operator_type='driscoll-healy', img_size=(nlat, nlon), grid=\"equiangular\",\n",
+    "                 num_layers=4, scale_factor=3, embed_dim=16, residual_prediction=True, pos_embed=\"lat\", use_mlp=False, normalization_layer=\"none\").to(device)\n"
    ]
   },
   {

pyproject.toml

@@ -7,7 +7,10 @@ name = "torch_harmonics"
 authors = [
     { name="Boris Bonev" },
     { name="Thorsten Kurth" },
+    { name="Max Rietmann" },
     { name="Mauro Bisson" },
+    { name="Andrea Paris" },
+    { name="Alberto Carpentieri" },
     { name="Massimiliano Fatica" },
     { name="Jean Kossaifi" },
     { name="Nikola Kovachki" },
@@ -38,6 +41,7 @@ dependencies = [
     "numpy>=1.22.4",
 ]
 
+
 [tool.setuptools.dynamic]
 version = {attr = "torch_harmonics.__version__"}
 
@@ -49,3 +53,10 @@ dev = [
     "pytest>=6.0.0",
     "coverage>=6.5.0",
 ]
+2d3ds = [
+    "requests",
+    "tarfile",
+    "tqdm",
+    "PIL",
+    "h5py",
+]

setup.py

@@ -53,6 +53,22 @@ try:
 except (ImportError, TypeError, AssertionError, AttributeError) as e:
     warnings.warn(f"building custom extensions skipped: {e}")
 
+def get_compile_args(module_name):
+    """If user runs build with TORCH_HARMONICS_DEBUG=1 set, it will use debugging flags to build"""
+    debug_mode = os.environ.get('TORCH_HARMONICS_DEBUG', '0') == '1'
+    if debug_mode:
+        print(f"WARNING: Compiling {module_name} with debugging flags")
+        return {
+            'cxx': ['-g', '-O0', '-Wall'],
+            'nvcc': ['-g', '-G', '-O0']
+        }
+    else:
+        print(f"NOTE: Compiling {module_name} with release flags")
+        return {
+            'cxx': ['-O3', "-DNDEBUG"],
+            'nvcc': ['-O3', "-DNDEBUG"]
+        }
+
 def get_ext_modules():
 
     ext_modules = []
@@ -73,6 +89,19 @@ def get_ext_modules():
                     "torch_harmonics/csrc/disco/disco_cuda_fwd.cu",
                     "torch_harmonics/csrc/disco/disco_cuda_bwd.cu",
                 ],
+                extra_compile_args=get_compile_args("disco")
+            )
+        )
+        ext_modules.append(
+            CUDAExtension(
+                name="attention_cuda_extension",
+                sources=[
+                    "torch_harmonics/csrc/attention/attention_fwd_cuda.cu",
+                    "torch_harmonics/csrc/attention/attention_bwd_cuda.cu",
+                    "torch_harmonics/csrc/attention/attention_interface.cu",
+                    "torch_harmonics/csrc/attention/attention_row_offset.cu"
+                ],
+                extra_compile_args=get_compile_args("neighborhood_attention")
             )
         )
         cmdclass["build_ext"] = BuildExtension
@@ -87,4 +116,4 @@ if __name__ == "__main__":
         packages=find_packages(),
         ext_modules=ext_modules,
         cmdclass=cmdclass,
-    )
\ No newline at end of file
+    )

tests/test_convolution.py

@@ -36,7 +36,7 @@ import math
 import numpy as np
 import torch
 from torch.autograd import gradcheck
-from torch_harmonics import *
+from torch_harmonics import quadrature, DiscreteContinuousConvS2, DiscreteContinuousConvTransposeS2
 
 from torch_harmonics.quadrature import _precompute_grid, _precompute_latitudes, _precompute_longitudes
 

tests/test_distributed_convolution.py

@@ -36,7 +36,7 @@ from parameterized import parameterized
 import torch
 import torch.nn.functional as F
 import torch.distributed as dist
-import torch_harmonics as harmonics
+import torch_harmonics as th
 import torch_harmonics.distributed as thd
 
 
@@ -219,10 +219,10 @@ class TestDistributedDiscreteContinuousConvolution(unittest.TestCase):
 
         # set up handles
         if transpose:
-            conv_local = harmonics.DiscreteContinuousConvTransposeS2(**disco_args).to(self.device)
+            conv_local = th.DiscreteContinuousConvTransposeS2(**disco_args).to(self.device)
             conv_dist = thd.DistributedDiscreteContinuousConvTransposeS2(**disco_args).to(self.device)
         else:
-            conv_local = harmonics.DiscreteContinuousConvS2(**disco_args).to(self.device)
+            conv_local = th.DiscreteContinuousConvS2(**disco_args).to(self.device)
             conv_dist = thd.DistributedDiscreteContinuousConvS2(**disco_args).to(self.device)
 
         # copy the weights from the local conv into the dist conv

tests/test_distributed_resample.py

@@ -36,7 +36,7 @@ from parameterized import parameterized
 import torch
 import torch.nn.functional as F
 import torch.distributed as dist
-import torch_harmonics as harmonics
+import torch_harmonics as th
 import torch_harmonics.distributed as thd
 
 
@@ -196,9 +196,9 @@ class TestDistributedResampling(unittest.TestCase):
         B, C, H, W = batch_size, num_chan, nlat_in, nlon_in
 
         res_args = dict(
-            nlat_in=nlat_in, 
+            nlat_in=nlat_in,
             nlon_in=nlon_in,
-            nlat_out=nlat_out, 
+            nlat_out=nlat_out,
             nlon_out=nlon_out,
             grid_in=grid_in,
             grid_out=grid_out,
@@ -206,7 +206,7 @@ class TestDistributedResampling(unittest.TestCase):
         )
 
         # set up handlesD
-        res_local = harmonics.ResampleS2(**res_args).to(self.device)
+        res_local = th.ResampleS2(**res_args).to(self.device)
         res_dist = thd.DistributedResampleS2(**res_args).to(self.device)
 
         # create tensors

tests/test_distributed_sht.py

@@ -36,7 +36,7 @@ from parameterized import parameterized
 import torch
 import torch.nn.functional as F
 import torch.distributed as dist
-import torch_harmonics as harmonics
+import torch_harmonics as th
 import torch_harmonics.distributed as thd
 
 
@@ -218,10 +218,10 @@ class TestDistributedSphericalHarmonicTransform(unittest.TestCase):
 
         # set up handles
         if vector:
-            forward_transform_local = harmonics.RealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
+            forward_transform_local = th.RealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
             forward_transform_dist = thd.DistributedRealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
         else:
-            forward_transform_local = harmonics.RealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
+            forward_transform_local = th.RealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
             forward_transform_dist = thd.DistributedRealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
 
         # create tensors
@@ -304,12 +304,12 @@ class TestDistributedSphericalHarmonicTransform(unittest.TestCase):
         B, C, H, W = batch_size, num_chan, nlat, nlon
 
         if vector:
-            forward_transform_local = harmonics.RealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
-            backward_transform_local = harmonics.InverseRealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
+            forward_transform_local = th.RealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
+            backward_transform_local = th.InverseRealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
             backward_transform_dist = thd.DistributedInverseRealVectorSHT(nlat=H, nlon=W, grid=grid).to(self.device)
         else:
-            forward_transform_local = harmonics.RealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
-            backward_transform_local = harmonics.InverseRealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
+            forward_transform_local = th.RealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
+            backward_transform_local = th.InverseRealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
             backward_transform_dist = thd.DistributedInverseRealSHT(nlat=H, nlon=W, grid=grid).to(self.device)
 
         # create tensors

tests/test_sht.py

@@ -34,8 +34,7 @@ from parameterized import parameterized
 import math
 import torch
 from torch.autograd import gradcheck
-from torch_harmonics import *
-
+import torch_harmonics as th
 
 class TestLegendrePolynomials(unittest.TestCase):
 
@@ -63,10 +62,9 @@ class TestLegendrePolynomials(unittest.TestCase):
     def test_legendre(self, verbose=False):
         if verbose:
             print("Testing computation of associated Legendre polynomials")
-        from torch_harmonics.legendre import legpoly
 
         t = torch.linspace(0, 1, 100, dtype=torch.float64)
-        vdm = legpoly(self.mmax, self.lmax, t)
+        vdm = th.legendre.legpoly(self.mmax, self.lmax, t)
 
         for l in range(self.lmax):
             for m in range(l + 1):
@@ -109,8 +107,8 @@ class TestSphericalHarmonicTransform(unittest.TestCase):
             mmax = nlat
         lmax = mmax
 
-        sht = RealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
-        isht = InverseRealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
+        sht = th.RealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
+        isht = th.InverseRealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
 
         with torch.no_grad():
             coeffs = torch.zeros(batch_size, lmax, mmax, device=self.device, dtype=torch.complex128)
@@ -167,8 +165,8 @@ class TestSphericalHarmonicTransform(unittest.TestCase):
             mmax = nlat
         lmax = mmax
 
-        sht = RealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
-        isht = InverseRealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
+        sht = th.RealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
+        isht = th.InverseRealSHT(nlat, nlon, mmax=mmax, lmax=lmax, grid=grid, norm=norm).to(self.device)
 
         with torch.no_grad():
             coeffs = torch.zeros(batch_size, lmax, mmax, device=self.device, dtype=torch.complex128)

torch_harmonics/__init__.py

@@ -29,11 +29,13 @@
 # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 #
 
-__version__ = "0.7.6"
+__version__ = "0.8.0"
 
 from .sht import RealSHT, InverseRealSHT, RealVectorSHT, InverseRealVectorSHT
 from .convolution import DiscreteContinuousConvS2, DiscreteContinuousConvTransposeS2
 from .resample import ResampleS2
+from .attention import AttentionS2, NeighborhoodAttentionS2
+from ._neighborhood_attention import _neighborhood_attention_s2_fwd_torch, _NeighborhoodAttentionS2 # for tests
 from . import quadrature
 from . import random_fields
 from . import examples