einsum support and minor SDFG API updates

.travis.yml

@@ -14,7 +14,7 @@ before_install:
   - sudo apt-get install libpapi-dev papi-tools
 
 install:
-  - pip install ".[test]" .
+  - pip install ".[testing]" .
   - pip install coverage codecov
   - if [ $DACE_optimizer_automatic_strict_transformations -eq 1 ]; then pip install tensorflow==1.15.0; fi
 

Jenkinsfile

@@ -11,7 +11,7 @@ pipeline {
                     echo "Installing additional dependencies"
                     pip3 install --upgrade --user tensorflow-gpu==1.14.0
                     echo "Installing DaCe"
-                    pip3 install --ignore-installed --upgrade --user ".[test]" .
+                    pip3 install --ignore-installed --upgrade --user ".[testing]" .
                     pip3 install --user cmake
                     pip3 install --user coverage
                 '''

dace/codegen/compiler.py

@@ -293,7 +293,7 @@ def _initialize_return_values(self, kwargs):
                 self._return_arrays.append(
                     np.ndarray([symbolic.evaluate(s, syms) for s in arr.shape],
                                arr.dtype.type,
-                               buffer=np.ndarray(
+                               buffer=np.zeros(
                                    [symbolic.evaluate(arr.total_size, syms)],
                                    arr.dtype.type),
                                strides=[

dace/frontend/common/__init__.py

@@ -3,3 +3,4 @@
 from .op_impl import constant_array_multiplication
 from .op_impl import matrix_transpose, matrix_transpose_s
 from .op_impl import matrix_pointwise_op
+from .einsum import create_einsum_sdfg

dace/frontend/common/einsum.py

@@ -0,0 +1,351 @@
+""" Classes to handle Einstein-notation sums (einsum) as a library node. """
+from functools import reduce
+from itertools import chain
+from string import ascii_letters
+from typing import Dict, Optional
+
+from dace import dtypes, symbolic
+from dace.graph.nodes import AccessNode
+from dace.graph.edges import InterstateEdge
+from dace.sdfg import SDFG, SDFGState
+from dace.memlet import Memlet
+from dace.frontend.common import op_repository as oprepo
+
+
+def _is_sequential(index_list):
+    if not index_list:
+        return True
+    index_list = sorted(index_list)
+    smallest_elem = index_list[0]
+    return index_list == list(
+        range(smallest_elem, smallest_elem + len(index_list)))
+
+
+class EinsumParser(object):
+    """ String parser for einsum. """
+    def __init__(self, string):
+        inout = string.split('->')
+        if len(inout) == 1:
+            inputs, output = string, ''
+        else:
+            inputs, output = inout
+
+        for char in chain(inputs, output):
+            if char not in ascii_letters + ',':
+                raise ValueError(
+                    'Invalid einsum string, subscript must contain'
+                    ' letters, commas, and "->".')
+
+        inputs = inputs.split(',')
+
+        # No output given, assumed all "free" subscripts in inputs
+        if len(inout) == 1:
+            # Find intersection and union of all inputs for the non-outputs
+            # and free inputs
+            nonfree = set()
+            free = set()
+            for i, inp in enumerate(inputs):
+                for var in set(inp):
+                    if (all(var not in set(s) for s in inputs[i + 1:])
+                            and var not in nonfree):
+                        free.add(var)
+                    else:
+                        nonfree.add(var)
+            output = ''.join(sorted(free))
+
+        self.inputs = inputs
+        self.output = output
+        if len(inputs) != 2:
+            return
+
+        # Special case: contracting two tensors
+        a, b = inputs
+        c = output
+        a_vars = set(a)
+        b_vars = set(b)
+        ab_vars = a_vars.union(b_vars)
+        c_vars = set(c)
+        if not ab_vars.issuperset(c_vars):
+            raise ValueError('Einsum subscript string includes outputs that do'
+                             ' not appear as an input')
+
+        batch_vars = a_vars.intersection(b_vars).intersection(c_vars)
+        sum_vars = a_vars.intersection(b_vars) - c_vars
+        a_only_vars = a_vars - sum_vars - batch_vars
+        b_only_vars = b_vars - sum_vars - batch_vars
+
+        self.a_batch = [i for i, d in enumerate(a) if d in batch_vars]
+        self.a_sum = [i for i, d in enumerate(a) if d in sum_vars]
+        self.a_only = [i for i, d in enumerate(a) if d in a_only_vars]
+
+        self.b_batch = [i for i, d in enumerate(b) if d in batch_vars]
+        self.b_sum = [i for i, d in enumerate(b) if d in sum_vars]
+        self.b_only = [i for i, d in enumerate(b) if d in b_only_vars]
+
+        self.c_a_only = [i for i, d in enumerate(c) if d in a_only_vars]
+        self.c_b_only = [i for i, d in enumerate(c) if d in b_only_vars]
+        self.c_batch = [i for i, d in enumerate(c) if d in batch_vars]
+
+    def is_bmm(self):
+        if len(self.inputs) != 2:
+            return False
+        for key, val in self.fields().items():
+            if not _is_sequential(val):
+                return False
+        return True
+
+    def fields(self):
+        return {
+            fname: fval
+            for fname, fval in self.__dict__.items()
+            if fname not in ('inputs', 'output')
+        }
+
+    def __str__(self):
+        return str(self.__dict__)
+
+    def __repr__(self):
+        return str(self)
+
+
+def create_batch_gemm_sdfg(dtype, strides):
+    #########################
+    sdfg = SDFG('einsum')
+    state = sdfg.add_state()
+    M, K, N = (symbolic.symbol(s) for s in ['M', 'K', 'N'])
+    BATCH, sAM, sAK, sAB, sBK, sBN, sBB, sCM, sCN, sCB = (
+        symbolic.symbol(s) if symbolic.issymbolic(strides[s]) else strides[s]
+        for s in [
+            'BATCH', 'sAM', 'sAK', 'sAB', 'sBK', 'sBN', 'sBB', 'sCM', 'sCN',
+            'sCB'
+        ])
+
+    batched = strides['BATCH'] != 1
+
+    _, xarr = sdfg.add_array(
+        'X',
+        dtype=dtype,
+        shape=[BATCH, M, K] if batched else [M, K],
+        strides=[sAB, sAM, sAK] if batched else [sAM, sAK])
+    _, yarr = sdfg.add_array(
+        'Y',
+        dtype=dtype,
+        shape=[BATCH, K, N] if batched else [K, N],
+        strides=[sBB, sBK, sBN] if batched else [sBK, sBN])
+    _, zarr = sdfg.add_array(
+        'Z',
+        dtype=dtype,
+        shape=[BATCH, M, N] if batched else [M, N],
+        strides=[sCB, sCM, sCN] if batched else [sCM, sCN])
+
+    gX = state.add_read('X')
+    gY = state.add_read('Y')
+    gZ = state.add_write('Z')
+
+    import dace.libraries.blas as blas  # Avoid import loop
+
+    libnode = blas.MatMul('einsum_gemm', zarr.dtype)
+    state.add_node(libnode)
+    state.add_edge(gX, None, libnode, '_a', Memlet.from_array(gX.data, xarr))
+    state.add_edge(gY, None, libnode, '_b', Memlet.from_array(gY.data, yarr))
+    state.add_edge(libnode, '_c', gZ, None, Memlet.from_array(gZ.data, zarr))
+
+    return sdfg
+
+
+def prod(iterable):
+    return reduce(lambda x, y: x * y, iterable, 1)
+
+
+@oprepo.replaces('numpy.einsum')
+def create_einsum_sdfg(sdfg: SDFG,
+                       state: SDFGState,
+                       einsum_string: str,
+                       *arrays: str,
+                       dtype: Optional[dtypes.typeclass] = None,
+                       optimize: bool = False,
+                       output: Optional[str] = None):
+    return _create_einsum_internal(sdfg,
+                                   state,
+                                   einsum_string,
+                                   *arrays,
+                                   dtype=dtype,
+                                   optimize=optimize,
+                                   output=output)[0]
+
+
+def _create_einsum_internal(sdfg: SDFG,
+                            state: SDFGState,
+                            einsum_string: str,
+                            *arrays: str,
+                            dtype: Optional[dtypes.typeclass] = None,
+                            optimize: bool = False,
+                            output: Optional[str] = None,
+                            nodes: Optional[Dict[str, AccessNode]] = None):
+    # Infer shapes and strides of input/output arrays
+    einsum = EinsumParser(einsum_string)
+
+    if len(einsum.inputs) != len(arrays):
+        raise ValueError('Invalid number of arrays for einsum expression')
+
+    # Get shapes from arrays and verify dimensionality
+    chardict = {}
+    for inp, inpname in zip(einsum.inputs, arrays):
+        inparr = sdfg.arrays[inpname]
+        if len(inp) != len(inparr.shape):
+            raise ValueError('Dimensionality mismatch in input "%s"' % inpname)
+        for char, shp in zip(inp, inparr.shape):
+            if char in chardict and shp != chardict[char]:
+                raise ValueError('Dimension mismatch in einsum expression')
+            chardict[char] = shp
+
+    if optimize:
+        # Try to import opt_einsum
+        try:
+            import opt_einsum as oe
+        except (ModuleNotFoundError, NameError, ImportError):
+            raise ImportError('To optimize einsum expressions, please install '
+                              'the "opt_einsum" package.')
+
+        for char, shp in chardict.items():
+            if symbolic.issymbolic(shp):
+                raise ValueError('Einsum optimization cannot be performed '
+                                 'on symbolically-sized array dimension "%s" '
+                                 'for subscript character "%s"' % (shp, char))
+
+        # Create optimal contraction path
+        # noinspection PyTypeChecker
+        _, path_info = oe.contract_path(
+            einsum_string, *oe.helpers.build_views(einsum_string, chardict))
+
+        input_nodes = nodes or {arr: state.add_read(arr) for arr in arrays}
+        result_node = None
+
+        # Follow path and create a chain of operation SDFG states
+        for pair, nonfree, expr, after, blas in path_info.contraction_list:
+            result, result_node = _create_einsum_internal(sdfg,
+                                                          state,
+                                                          expr,
+                                                          arrays[pair[0]],
+                                                          arrays[pair[1]],
+                                                          dtype=dtype,
+                                                          optimize=False,
+                                                          output=None,
+                                                          nodes=input_nodes)
+            arrays = ([a for i, a in enumerate(arrays) if i not in pair] +
+                      [result])
+            input_nodes[result] = result_node
+
+        return arrays[0], result_node
+        # END of einsum optimization
+
+    input_nodes = nodes or {arr: state.add_read(arr) for arr in arrays}
+
+    # Get output shape from chardict, or [1] for a scalar output
+    output_shape = list(map(lambda k: chardict[k], einsum.output)) or [1]
+    output_index = ','.join(o for o in einsum.output) or '0'
+
+    if output is None:
+        dtype = dtype or sdfg.arrays[arrays[0]].dtype
+        output, odesc = sdfg.add_temp_transient(output_shape, dtype)
+        to_init = True
+    else:
+        odesc = sdfg.arrays[output]
+        dtype = dtype or odesc.dtype
+        to_init = False
+
+    if not einsum.is_bmm():
+        # Fall back to "pure" SDFG einsum with conflict resolution
+        c = state.add_write(output)
+
+        # Add state before this one to initialize the output value
+        if to_init:
+            init_state = sdfg.add_state_before(state)
+            if len(einsum.output) > 0:
+                init_state.add_mapped_tasklet(
+                    'einsum_reset',
+                    {k: '0:%s' % chardict[k]
+                     for k in einsum.output}, {},
+                    'out_%s = 0' % output,
+                    {'out_%s' % output: Memlet.simple(output, output_index)},
+                    external_edges=True)
+            else:  # Scalar output
+                t = init_state.add_tasklet('einsum_reset', set(),
+                                           {'out_%s' % output},
+                                           'out_%s = 0' % output)
+                onode = init_state.add_write(output)
+                init_state.add_edge(t, 'out_%s' % output, onode, None,
+                                    Memlet.simple(output, '0'))
+
+        # Pure einsum map
+        state.add_mapped_tasklet(
+            'einsum', {k: '0:%s' % v
+                       for k, v in chardict.items()}, {
+                           'inp_%s' % arr: Memlet.simple(arr, ','.join(inp))
+                           for inp, arr in zip(einsum.inputs, arrays)
+                       },
+            'out_%s = %s' % (output, ' * '.join('inp_%s' % arr
+                                                for arr in arrays)),
+            {
+                'out_%s' % output:
+                Memlet.simple(output, output_index, wcr_str='lambda a,b: a+b')
+            },
+            input_nodes=input_nodes,
+            output_nodes={output: c},
+            external_edges=True)
+    else:
+        # Represent einsum as a GEMM or batched GEMM (using library nodes)
+        a_shape = sdfg.arrays[arrays[0]].shape
+        b_shape = sdfg.arrays[arrays[1]].shape
+        c_shape = output_shape
+
+        a = input_nodes[arrays[0]]
+        b = input_nodes[arrays[1]]
+        c = state.add_write(output)
+
+        # Compute GEMM dimensions and strides
+        strides = dict(
+            BATCH=prod([c_shape[dim] for dim in einsum.c_batch]),
+            M=prod([a_shape[dim] for dim in einsum.a_only]),
+            K=prod([a_shape[dim] for dim in einsum.a_sum]),
+            N=prod([b_shape[dim] for dim in einsum.b_only]),
+            sAM=prod(a_shape[einsum.a_only[-1] + 1:]) if einsum.a_only else 1,
+            sAK=prod(a_shape[einsum.a_sum[-1] + 1:]) if einsum.a_sum else 1,
+            sAB=prod(a_shape[einsum.a_batch[-1] +
+                             1:]) if einsum.a_batch else 1,
+            sBK=prod(b_shape[einsum.b_sum[-1] + 1:]) if einsum.b_sum else 1,
+            sBN=prod(b_shape[einsum.b_only[-1] + 1:]) if einsum.b_only else 1,
+            sBB=prod(b_shape[einsum.b_batch[-1] +
+                             1:]) if einsum.b_batch else 1,
+            sCM=prod(c_shape[einsum.c_a_only[-1] +
+                             1:]) if einsum.c_a_only else 1,
+            sCN=prod(c_shape[einsum.c_b_only[-1] +
+                             1:]) if einsum.c_b_only else 1,
+            sCB=prod(c_shape[einsum.c_batch[-1] +
+                             1:]) if einsum.c_batch else 1)
+
+        # Complement strides to make matrices as necessary
+        if len(a_shape) == 1 and len(einsum.a_sum) == 1:
+            strides['sAK'] = 1
+            strides['sAB'] = strides['sAM'] = strides['K']
+        if len(b_shape) == 1 and len(einsum.b_sum) == 1:
+            strides['sBN'] = 1
+            strides['sBK'] = 1
+            strides['sBB'] = strides['K']
+        if len(c_shape) == 1 and len(einsum.a_sum) == len(einsum.b_sum):
+            strides['sCN'] = 1
+            strides['sCB'] = strides['sCM'] = strides['N']
+
+        # Create nested SDFG for GEMM
+        nsdfg = create_batch_gemm_sdfg(dtype, strides)
+
+        nsdfg_node = state.add_nested_sdfg(nsdfg, None, {'X', 'Y'}, {'Z'},
+                                           strides)
+        state.add_edge(a, None, nsdfg_node, 'X',
+                       Memlet.from_array(a.data, a.desc(sdfg)))
+        state.add_edge(b, None, nsdfg_node, 'Y',
+                       Memlet.from_array(b.data, b.desc(sdfg)))
+        state.add_edge(nsdfg_node, 'Z', c, None,
+                       Memlet.from_array(c.data, c.desc(sdfg)))
+
+    return output, c