Merge branch 'nifty6_einsum_pf' into 'nifty6_einsum'

Nifty6 einsum suggestions pf

See merge request !462

nifty6/operators/einsum.py

@@ -17,6 +17,7 @@
 # NIFTy is being developed at the Max-Planck-Institut fuer Astrophysik.
 
 import numpy as np
+import string
 from ..domain_tuple import DomainTuple
 from ..linearization import Linearization
 from ..field import Field
@@ -45,19 +46,12 @@ class MultiLinearEinsum(Operator):
         `key_order` is not part of the `domain`. Fields in this object are
         supposed to be static as they will not appear as FieldAdapter in the
         Linearization.
-    optimize: bool, optional
-        Parameter passed on to einsum.
+    optimize: bool, String or List, optional
+        Parameter passed on to einsum_path.
     """
-    def __init__(
-        self,
-        domain,
-        subscripts,
-        key_order=None,
-        static_mf=None,
-        optimize=False
-    ):
+    def __init__(self, domain, subscripts,
+                 key_order=None, static_mf=None, optimize='optimal'):
         self._domain = MultiDomain.make(domain)
-        self._sscr = subscripts
         if key_order is None:
             self._key_order = tuple(self._domain.keys())
         else:
@@ -66,23 +60,31 @@ class MultiLinearEinsum(Operator):
             ve = "`key_order` mus be specified if additional fields are munged"
             raise ValueError(ve)
         self._stat_mf = static_mf
-        self._ein_kw = {"optimize": optimize}
-        iss, self._oss, *rest = subscripts.split("->")
+        iss, oss, *rest = subscripts.split("->")
         iss_spl = iss.split(",")
         len_consist = len(self._key_order) == len(iss_spl)
-        sscr_consist = all(o in iss for o in self._oss)
-        if rest or not sscr_consist or "," in self._oss or not len_consist:
+        sscr_consist = all(o in iss for o in oss)
+        if rest or not sscr_consist or "," in oss or not len_consist:
             raise ValueError(f"invalid subscripts specified; got {subscripts}")
+        ve = f"invalid order of keys {self._key_order} for subscripts {subscripts}"
+        shapes, numpy_subscripts,  subscriptmap = {},'',{}
+        alphabet = list(string.ascii_lowercase)[::-1]
         for k, ss in zip(self._key_order, iss_spl):
             dom = self._domain[k] if k in self._domain.keys(
             ) else self._stat_mf[k].domain
-            if len(dom.shape) != len(ss):
-                ve = f"invalid order of keys {key_order} for subscripts {subscripts}"
+            if len(dom) != len(ss):
                 raise ValueError(ve)
-
+            for i, a in enumerate(list(ss)):
+                if a not in subscriptmap.keys():
+                    subscriptmap[a] = [alphabet.pop() for _ in
+                                       range(len(dom[i].shape))]
+                numpy_subscripts += ''.join(subscriptmap[a])
+            numpy_subscripts += ','
+            shapes[k] = dom.shape
+        numpy_subscripts = numpy_subscripts[:-1] + '->'
         dom_sscr = dict(zip(self._key_order, iss_spl))
         tgt = []
-        for o in self._oss:
+        for o in oss:
             k_hit = tuple(k for k, sscr in dom_sscr.items() if o in sscr)[0]
             dom_k_idx = dom_sscr[k_hit].index(o)
             if k_hit in self._domain.keys():
@@ -92,14 +94,30 @@ class MultiLinearEinsum(Operator):
                     ve = f"{k_hit} is not in domain nor in static_mf"
                     raise ValueError(ve)
                 tgt += [self._stat_mf[k_hit].domain[dom_k_idx]]
+            numpy_subscripts += ''.join(subscriptmap[o])
         self._target = DomainTuple.make(tgt)
 
+        
+        numpy_iss, numpy_oss, *_ = numpy_subscripts.split("->")
+        numpy_iss_spl = numpy_iss.split(",")
+
         self._sscr_endswith = dict()
-        for k, (i, ss) in zip(self._key_order, enumerate(iss_spl)):
-            left_ss_spl = (*iss_spl[:i], *iss_spl[i + 1:], ss)
-            self._sscr_endswith[k] = "->".join(
-                (",".join(left_ss_spl), self._oss)
-            )
+        self._linpaths = dict()
+        for k, (i, ss) in zip(self._key_order, enumerate(numpy_iss_spl)):
+            left_ss_spl = (*numpy_iss_spl[:i], *numpy_iss_spl[i + 1:], ss)
+            linpath = '->'.join((','.join(left_ss_spl), numpy_oss))
+            
+            plc = tuple(np.broadcast_to(np.nan, shapes[q]) for q in shapes.keys() if q!=k)
+            plc += (np.broadcast_to(np.nan, shapes[k]),)
+            self._sscr_endswith[k] = linpath
+            self._linpaths[k] = np.einsum_path(linpath, *plc, optimize=optimize)[0]
+        if isinstance(optimize, list):
+            path = optimize
+        else:
+            plc = (np.broadcast_to(np.nan, shapes[k]) for k in shapes.keys())
+            path = np.einsum_path(numpy_subscripts, *plc, optimize=optimize)[0]
+        self._sscr = numpy_subscripts
+        self._ein_kw = {"optimize": path}
 
     def apply(self, x):
         self._check_input(x)
@@ -129,7 +147,9 @@ class MultiLinearEinsum(Operator):
                     mf_wo_k,
                     ss,
                     key_order=tuple(plc.keys()),
-                    **self._ein_kw
+                    optimize=self._linpaths[wrt],
+                    _target = self._target,
+                    _calling_as_lin = True
                 ).ducktape(wrt)
                 jac = jac + jac_k if jac is not None else jac_k
             return x.new(Field.from_raw(self.target, res), jac)
@@ -155,43 +175,82 @@ class LinearEinsum(LinearOperator):
     key_order: tuple of str, optional
         The order of the keys in the multi-field. If not specified, defaults to
         the order of the keys in the multi-field.
-    optimize: bool, optional
-        Parameter passed on to einsum.
+    optimize: bool, String or List, optional
+        Parameter passed on to einsum_path.
     """
-    def __init__(self, domain, mf, subscripts, key_order=None, optimize=False):
+    def __init__(self, domain, mf, subscripts, key_order=None, optimize='optimal',
+                 _target=None, _calling_as_lin=False):
         self._domain = DomainTuple.make(domain)
-        self._mf = mf
-        self._sscr = subscripts
-        if key_order is None:
-            self._key_order = tuple(self._mf.domain.keys())
+        if _calling_as_lin:
+            self._init2(mf, subscripts, key_order, optimize, _target)
         else:
-            self._key_order = key_order
-        self._ein_kw = {"optimize": optimize}
-        iss, oss, *rest = subscripts.split("->")
-        iss_spl = iss.split(",")
-        sscr_consist = all(o in iss for o in oss)
-        len_consist = len(self._key_order) == len(iss_spl[:-1])
-        if rest or not sscr_consist or "," in oss or not len_consist:
-            raise ValueError(f"invalid subscripts specified; got {subscripts}")
-        ve = f"invalid order of keys {key_order} for subscripts {subscripts}"
-        for k, ss in zip(self._key_order, iss_spl[:-1]):
-            if len(self._mf[k].shape) != len(ss):
+            self._mf = mf
+            if key_order is None:
+                _key_order = tuple(self._mf.domain.keys())
+            else:
+                _key_order = key_order
+            self._ein_kw = {"optimize": optimize}
+            iss, oss, *rest = subscripts.split("->")
+            iss_spl = iss.split(",")
+            sscr_consist = all(o in iss for o in oss)
+            len_consist = len(_key_order) == len(iss_spl[:-1])
+            if rest or not sscr_consist or "," in oss or not len_consist:
+                raise ValueError(f"invalid subscripts specified; got {subscripts}")
+            ve = f"invalid order of keys {_key_order} for subscripts {subscripts}"
+            shapes, numpy_subscripts,  subscriptmap = (),'',{}
+            alphabet = list(string.ascii_lowercase)
+            for k, ss in zip(_key_order, iss_spl[:-1]):
+                dom = self._mf[k].domain
+                if len(dom) != len(ss):
+                    raise ValueError(ve)
+                for i, a in enumerate(list(ss)):
+                    if a not in subscriptmap.keys():
+                        subscriptmap[a] = [alphabet.pop() for _ in
+                                           range(len(dom[i].shape))]
+                    numpy_subscripts += ''.join(subscriptmap[a])
+                numpy_subscripts += ','
+                shapes +=(dom.shape,)
+            if len(self._domain) != len(iss_spl[-1]):
                 raise ValueError(ve)
-        if len(self._domain.shape) != len(iss_spl[-1]):
-            raise ValueError(ve)
-
-        dom_sscr = dict(zip(self._key_order, iss_spl[:-1]))
-        dom_sscr[id(self)] = iss_spl[-1]
-        tgt = []
-        for o in oss:
-            k_hit = tuple(k for k, sscr in dom_sscr.items() if o in sscr)[0]
-            dom_k_idx = dom_sscr[k_hit].index(o)
-            if k_hit in self._key_order:
-                tgt += [self._mf.domain[k_hit][dom_k_idx]]
+            for i, a in enumerate(list(iss_spl[-1])):
+                if a not in subscriptmap.keys():
+                    subscriptmap[a] = [alphabet.pop() for _ in
+                                       range(len(self._domain[i].shape))]
+                numpy_subscripts += ''.join(subscriptmap[a])
+            shapes += (self._domain.shape,)
+            numpy_subscripts += '->'
+    
+            dom_sscr = dict(zip(_key_order, iss_spl[:-1]))
+            dom_sscr[id(self)] = iss_spl[-1]
+            tgt = []
+            for o in oss:
+                k_hit = tuple(k for k, sscr in dom_sscr.items() if o in sscr)[0]
+                dom_k_idx = dom_sscr[k_hit].index(o)
+                if k_hit in _key_order:
+                    tgt += [self._mf.domain[k_hit][dom_k_idx]]
+                else:
+                    assert k_hit == id(self)
+                    tgt += [self._domain[dom_k_idx]]
+                numpy_subscripts += "".join(subscriptmap[o])
+            _target = DomainTuple.make(tgt)
+            self._sscr = numpy_subscripts
+            
+            if isinstance(optimize, list):
+                path = optimize
             else:
-                assert k_hit == id(self)
-                tgt += [self._domain[dom_k_idx]]
-        self._target = DomainTuple.make(tgt)
+                plc = (np.broadcast_to(np.nan, shp) for shp in shapes)
+                path = np.einsum_path(numpy_subscripts, *plc, optimize=optimize)[0]
+            self._init2(mf, numpy_subscripts, _key_order, path, _target)
+        
+
+    def _init2(self, mf, subscripts, keyorder, optimize, target):
+        self._ein_kw = {"optimize": optimize}
+        self._mf = mf
+        self._sscr = subscripts
+        self._key_order = keyorder
+        self._target = target
+        iss, oss, *_ = subscripts.split("->")
+        iss_spl = iss.split(",")
 
         adj_iss = ",".join((",".join(iss_spl[:-1]), oss))
         self._adj_sscr = "->".join((adj_iss, iss_spl[-1]))

test/test_operators/test_einsum.py

@@ -21,31 +21,35 @@ from numpy.testing import assert_allclose
 from nifty6.extra import check_jacobian_consistency, consistency_check
 
 import nifty6 as ift
-from ..common import setup_function, teardown_function
+from ..common import list2fixture, setup_function, teardown_function
 
 pmp = pytest.mark.parametrize
+spaces = (ift.UnstructuredDomain(4),
+          ift.RGSpace((3,2)),
+          ift.LMSpace(5),
+          ift.HPSpace(4),
+          ift.GLSpace(4))
 
+space1 = list2fixture(spaces)
+space2 = list2fixture(spaces)
 
-@pmp("n_unstructured", (3, 9))
-@pmp("nside", (4, 8))
-def test_linear_einsum_outer(n_unstructured, nside, n_invocations=10):
+
+def test_linear_einsum_outer(space1, space2, n_invocations=10):
     setup_function()
 
-    pos_space = ift.HPSpace(nside)
     mf_dom = ift.MultiDomain.make(
         {
-            "dom01":
-                ift.UnstructuredDomain(n_unstructured),
+            "dom01": space1,
             "dom02":
                 ift.DomainTuple.make(
-                    (ift.UnstructuredDomain(n_unstructured), pos_space)
+                    (space1, space2)
                 )
         }
     )
     mf = ift.from_random("normal", mf_dom)
     ss = "i,ij,j->ij"
     key_order = ("dom01", "dom02")
-    le = ift.LinearEinsum(pos_space, mf, ss, key_order=key_order)
+    le = ift.LinearEinsum(space2, mf, ss, key_order=key_order)
     assert consistency_check(le) is None
 
     le_ift = ift.DiagonalOperator(
@@ -63,26 +67,22 @@ def test_linear_einsum_outer(n_unstructured, nside, n_invocations=10):
     teardown_function()
 
 
-@pmp("n_unstructured", (3, 9))
-@pmp("nside", (4, 8))
-def test_linear_einsum_contraction(n_unstructured, nside, n_invocations=10):
+def test_linear_einsum_contraction(space1, space2, n_invocations=10):
     setup_function()
 
-    pos_space = ift.HPSpace(nside)
     mf_dom = ift.MultiDomain.make(
         {
-            "dom01":
-                ift.UnstructuredDomain(n_unstructured),
+            "dom01": space1,
             "dom02":
                 ift.DomainTuple.make(
-                    (ift.UnstructuredDomain(n_unstructured), pos_space)
+                    (space1, space2)
                 )
         }
     )
     mf = ift.from_random("normal", mf_dom)
     ss = "i,ij,j->i"
     key_order = ("dom01", "dom02")
-    le = ift.LinearEinsum(pos_space, mf, ss, key_order=key_order)
+    le = ift.LinearEinsum(space2, mf, ss, key_order=key_order)
     assert consistency_check(le) is None
 
     le_ift = ift.ContractionOperator(mf_dom["dom02"], 1) @ ift.DiagonalOperator(
@@ -100,24 +100,16 @@ def test_linear_einsum_contraction(n_unstructured, nside, n_invocations=10):
     teardown_function()
 
 
-@pmp("n_unstructured", (3, 9))
-@pmp("nside", (4, 8))
 def test_multi_linear_einsum_outer(
-    n_unstructured, nside, n_invocations=10, ntries=100
+    space1, space2, n_invocations=10, ntries=100
 ):
     setup_function()
 
-    pos_space = ift.HPSpace(nside)
     mf_dom = ift.MultiDomain.make(
         {
-            "dom01":
-                ift.UnstructuredDomain(n_unstructured),
-            "dom02":
-                ift.DomainTuple.make(
-                    (ift.UnstructuredDomain(n_unstructured), pos_space)
-                ),
-            "dom03":
-                pos_space
+            "dom01": space1,
+            "dom02":ift.DomainTuple.make((space1, space2)),
+            "dom03": space2
         }
     )
     ss = "i,ij,j->ij"