import numpy as np import pytest from opt_einsum import (backends, contract, contract_expression, helpers, sharing) from opt_einsum.contract import Shaped, infer_backend, parse_backend try: import cupy found_cupy = True except ImportError: found_cupy = False try: import tensorflow as tf # needed so tensorflow doesn't allocate all gpu mem _TF_CONFIG = tf.ConfigProto() _TF_CONFIG.gpu_options.allow_growth = True found_tensorflow = True except ImportError: found_tensorflow = False try: import os os.environ['MKL_THREADING_LAYER'] = 'GNU' import theano found_theano = True except ImportError: found_theano = False try: import torch found_torch = True except ImportError: found_torch = False try: import jax found_jax = True except ImportError: found_jax = False try: import autograd found_autograd = True except ImportError: found_autograd = False tests = [ 'ab,bc->ca', 'abc,bcd,dea', 'abc,def->fedcba', 'abc,bcd,df->fa', # test 'prefer einsum' ops 'ijk,ikj', 'i,j->ij', 'ijk,k->ij', 'AB,BC->CA', ] @pytest.mark.skipif(not found_tensorflow, reason="Tensorflow not installed.") @pytest.mark.parametrize("string", tests) def test_tensorflow(string): views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) opt = np.empty_like(ein) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) sess = tf.Session(config=_TF_CONFIG) with sess.as_default(): expr(*views, backend='tensorflow', out=opt) sess.close() assert np.allclose(ein, opt) # test non-conversion mode tensorflow_views = [backends.to_tensorflow(view) for view in views] expr(*tensorflow_views) @pytest.mark.skipif(not found_tensorflow, reason="Tensorflow not installed.") @pytest.mark.parametrize("constants", [{0, 1}, {0, 2}, {1, 2}]) def test_tensorflow_with_constants(constants): eq = 'ij,jk,kl->li' shapes = (2, 3), (3, 4), (4, 5) non_const, = {0, 1, 2} - constants ops = [np.random.rand(*shp) if i in constants else shp for i, shp in enumerate(shapes)] var = np.random.rand(*shapes[non_const]) res_exp = contract(eq, *(ops[i] if i in constants else var for i in range(3))) expr = contract_expression(eq, *ops, constants=constants) # check tensorflow with tf.Session(config=_TF_CONFIG).as_default(): res_got = expr(var, backend='tensorflow') assert all(array is None or infer_backend(array) == 'tensorflow' for array in expr._evaluated_constants['tensorflow']) assert np.allclose(res_exp, res_got) # check can call with numpy still res_got2 = expr(var, backend='numpy') assert np.allclose(res_exp, res_got2) # check tensorflow call returns tensorflow still res_got3 = expr(backends.to_tensorflow(var)) assert isinstance(res_got3, tf.Tensor) @pytest.mark.skipif(not found_tensorflow, reason="Tensorflow not installed.") @pytest.mark.parametrize("string", tests) def test_tensorflow_with_sharing(string): views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) sess = tf.Session(config=_TF_CONFIG) with sess.as_default(), sharing.shared_intermediates() as cache: tfl1 = expr(*views, backend='tensorflow') assert sharing.get_sharing_cache() is cache cache_sz = len(cache) assert cache_sz > 0 tfl2 = expr(*views, backend='tensorflow') assert len(cache) == cache_sz assert all(isinstance(t, tf.Tensor) for t in cache.values()) assert np.allclose(ein, tfl1) assert np.allclose(ein, tfl2) @pytest.mark.skipif(not found_theano, reason="Theano not installed.") @pytest.mark.parametrize("string", tests) def test_theano(string): views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) opt = expr(*views, backend='theano') assert np.allclose(ein, opt) # test non-conversion mode theano_views = [backends.to_theano(view) for view in views] theano_opt = expr(*theano_views) assert isinstance(theano_opt, theano.tensor.TensorVariable) @pytest.mark.skipif(not found_theano, reason="theano not installed.") @pytest.mark.parametrize("constants", [{0, 1}, {0, 2}, {1, 2}]) def test_theano_with_constants(constants): eq = 'ij,jk,kl->li' shapes = (2, 3), (3, 4), (4, 5) non_const, = {0, 1, 2} - constants ops = [np.random.rand(*shp) if i in constants else shp for i, shp in enumerate(shapes)] var = np.random.rand(*shapes[non_const]) res_exp = contract(eq, *(ops[i] if i in constants else var for i in range(3))) expr = contract_expression(eq, *ops, constants=constants) # check theano res_got = expr(var, backend='theano') assert all(array is None or infer_backend(array) == 'theano' for array in expr._evaluated_constants['theano']) assert np.allclose(res_exp, res_got) # check can call with numpy still res_got2 = expr(var, backend='numpy') assert np.allclose(res_exp, res_got2) # check theano call returns theano still res_got3 = expr(backends.to_theano(var)) assert isinstance(res_got3, theano.tensor.TensorVariable) @pytest.mark.skipif(not found_theano, reason="Theano not installed.") @pytest.mark.parametrize("string", tests) def test_theano_with_sharing(string): views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) with sharing.shared_intermediates() as cache: thn1 = expr(*views, backend='theano') assert sharing.get_sharing_cache() is cache cache_sz = len(cache) assert cache_sz > 0 thn2 = expr(*views, backend='theano') assert len(cache) == cache_sz assert all(isinstance(t, theano.tensor.TensorVariable) for t in cache.values()) assert np.allclose(ein, thn1) assert np.allclose(ein, thn2) @pytest.mark.skipif(not found_cupy, reason="Cupy not installed.") @pytest.mark.parametrize("string", tests) def test_cupy(string): # pragma: no cover views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) opt = expr(*views, backend='cupy') assert np.allclose(ein, opt) # test non-conversion mode cupy_views = [backends.to_cupy(view) for view in views] cupy_opt = expr(*cupy_views) assert isinstance(cupy_opt, cupy.ndarray) assert np.allclose(ein, cupy.asnumpy(cupy_opt)) @pytest.mark.skipif(not found_cupy, reason="Cupy not installed.") @pytest.mark.parametrize("constants", [{0, 1}, {0, 2}, {1, 2}]) def test_cupy_with_constants(constants): # pragma: no cover eq = 'ij,jk,kl->li' shapes = (2, 3), (3, 4), (4, 5) non_const, = {0, 1, 2} - constants ops = [np.random.rand(*shp) if i in constants else shp for i, shp in enumerate(shapes)] var = np.random.rand(*shapes[non_const]) res_exp = contract(eq, *(ops[i] if i in constants else var for i in range(3))) expr = contract_expression(eq, *ops, constants=constants) # check cupy res_got = expr(var, backend='cupy') # check cupy versions of constants exist assert all(array is None or infer_backend(array) == 'cupy' for array in expr._evaluated_constants['cupy']) assert np.allclose(res_exp, res_got) # check can call with numpy still res_got2 = expr(var, backend='numpy') assert np.allclose(res_exp, res_got2) # check cupy call returns cupy still res_got3 = expr(cupy.asarray(var)) assert isinstance(res_got3, cupy.ndarray) assert np.allclose(res_exp, res_got3.get()) @pytest.mark.skipif(not found_jax, reason="jax not installed.") @pytest.mark.parametrize("string", tests) def test_jax(string): # pragma: no cover views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) opt = expr(*views, backend='jax') assert np.allclose(ein, opt) assert isinstance(opt, np.ndarray) @pytest.mark.skipif(not found_jax, reason="jax not installed.") @pytest.mark.parametrize("constants", [{0, 1}, {0, 2}, {1, 2}]) def test_jax_with_constants(constants): # pragma: no cover eq = 'ij,jk,kl->li' shapes = (2, 3), (3, 4), (4, 5) non_const, = {0, 1, 2} - constants ops = [np.random.rand(*shp) if i in constants else shp for i, shp in enumerate(shapes)] var = np.random.rand(*shapes[non_const]) res_exp = contract(eq, *(ops[i] if i in constants else var for i in range(3))) expr = contract_expression(eq, *ops, constants=constants) # check jax res_got = expr(var, backend='jax') # check jax versions of constants exist assert all(array is None or infer_backend(array) == 'jax' for array in expr._evaluated_constants['jax']) assert np.allclose(res_exp, res_got) @pytest.mark.skipif(not found_jax, reason="jax not installed.") def test_jax_jit_gradient(): eq = 'ij,jk,kl->' shapes = (2, 3), (3, 4), (4, 2) views = [np.random.randn(*s) for s in shapes] expr = contract_expression(eq, *shapes) x0 = expr(*views) jit_expr = jax.jit(expr) x1 = jit_expr(*views).item() assert x1 == pytest.approx(x0, rel=1e-5) # jax only takes gradient w.r.t first argument grad_expr = jax.jit(jax.grad(lambda views: expr(*views))) view_grads = grad_expr(views) assert all(v1.shape == v2.shape for v1, v2 in zip(views, view_grads)) # taking a step along the gradient should reduce our 'loss' new_views = [v - 0.001 * dv for v, dv in zip(views, view_grads)] x2 = jit_expr(*new_views).item() assert x2 < x1 @pytest.mark.skipif(not found_autograd, reason="autograd not installed.") def test_autograd_gradient(): eq = 'ij,jk,kl->' shapes = (2, 3), (3, 4), (4, 2) views = [np.random.randn(*s) for s in shapes] expr = contract_expression(eq, *shapes) x0 = expr(*views) # autograd only takes gradient w.r.t first argument grad_expr = autograd.grad(lambda views: expr(*views)) view_grads = grad_expr(views) assert all(v1.shape == v2.shape for v1, v2 in zip(views, view_grads)) # taking a step along the gradient should reduce our 'loss' new_views = [v - 0.001 * dv for v, dv in zip(views, view_grads)] x1 = expr(*new_views) assert x1 < x0 @pytest.mark.parametrize("string", tests) def test_dask(string): da = pytest.importorskip("dask.array") views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) # test non-conversion mode da_views = [da.from_array(x, chunks=(2)) for x in views] da_opt = expr(*da_views) # check type is maintained when not using numpy arrays assert isinstance(da_opt, da.Array) assert np.allclose(ein, np.array(da_opt)) # try raw contract da_opt = contract(string, *da_views) assert isinstance(da_opt, da.Array) assert np.allclose(ein, np.array(da_opt)) @pytest.mark.parametrize("string", tests) def test_sparse(string): sparse = pytest.importorskip("sparse") views = helpers.build_views(string) # sparsify views so they don't become dense during contraction for view in views: np.random.seed(42) mask = np.random.choice([False, True], view.shape, True, [0.05, 0.95]) view[mask] = 0 ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) # test non-conversion mode sparse_views = [sparse.COO.from_numpy(x) for x in views] sparse_opt = expr(*sparse_views) # check type is maintained when not using numpy arrays assert isinstance(sparse_opt, sparse.COO) assert np.allclose(ein, sparse_opt.todense()) # try raw contract sparse_opt = contract(string, *sparse_views) assert isinstance(sparse_opt, sparse.COO) assert np.allclose(ein, sparse_opt.todense()) @pytest.mark.skipif(not found_torch, reason="Torch not installed.") @pytest.mark.parametrize("string", tests) def test_torch(string): views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) opt = expr(*views, backend='torch') assert np.allclose(ein, opt) # test non-conversion mode torch_views = [backends.to_torch(view) for view in views] torch_opt = expr(*torch_views) assert isinstance(torch_opt, torch.Tensor) assert np.allclose(ein, torch_opt.cpu().numpy()) @pytest.mark.skipif(not found_torch, reason="Torch not installed.") @pytest.mark.parametrize("constants", [{0, 1}, {0, 2}, {1, 2}]) def test_torch_with_constants(constants): eq = 'ij,jk,kl->li' shapes = (2, 3), (3, 4), (4, 5) non_const, = {0, 1, 2} - constants ops = [np.random.rand(*shp) if i in constants else shp for i, shp in enumerate(shapes)] var = np.random.rand(*shapes[non_const]) res_exp = contract(eq, *(ops[i] if i in constants else var for i in range(3))) expr = contract_expression(eq, *ops, constants=constants) # check torch res_got = expr(var, backend='torch') assert all(array is None or infer_backend(array) == 'torch' for array in expr._evaluated_constants['torch']) assert np.allclose(res_exp, res_got) # check can call with numpy still res_got2 = expr(var, backend='numpy') assert np.allclose(res_exp, res_got2) # check torch call returns torch still res_got3 = expr(backends.to_torch(var)) assert isinstance(res_got3, torch.Tensor) res_got3 = res_got3.numpy() if res_got3.device.type == 'cpu' else res_got3.cpu().numpy() assert np.allclose(res_exp, res_got3) def test_auto_backend_custom_array_no_tensordot(): x = Shaped((1, 2, 3)) # Shaped is an array-like object defined by opt_einsum - which has no TDOT assert infer_backend(x) == 'opt_einsum' assert parse_backend([x], 'auto') == 'numpy' @pytest.mark.parametrize("string", tests) def test_object_arrays_backend(string): views = helpers.build_views(string) ein = contract(string, *views, optimize=False, use_blas=False) assert ein.dtype != object shps = [v.shape for v in views] expr = contract_expression(string, *shps, optimize=True) obj_views = [view.astype(object) for view in views] # try raw contract obj_opt = contract(string, *obj_views, backend='object') assert obj_opt.dtype == object assert np.allclose(ein, obj_opt.astype(float)) # test expression obj_opt = expr(*obj_views, backend='object') assert obj_opt.dtype == object assert np.allclose(ein, obj_opt.astype(float))