This tutorial explains the objects that represent state preparation, measurement, gate, and layer operations in pyGSTi. These objects form the essential components of Model
objects in pyGSTi, and are therefore an important topic to understand if you're creating your own models or just need to know how to extract specific information from a Model
. We use the term operator generically all such objects, even when gate or layer operators act on vectorized density matrices and are therefore super-operators.
State preparations and POVM effects are represented as vectors in pyGSTi. For $n$ qubits, these can be either length-$2^n$ complex vectors representing pure states/projections or length-$4^n$ real vectors representing mixed states (in the Liouville picture, where we vectorize a $2^n\times 2^n$ density matrix into a column or row vector). Gate and layer operations are represented as linear maps on the space of state vectors. As such these can be viewed as $2^n\times 2^n$ complex matrices (in the pure-state case) or $4^n \times 4^n$ real matrices (in the mixed-state case).
State and effect vectors are subclasses of SPAMVec
in pyGSTi. In both cases the vector is stored as a column vector even though effect (co-)vectors are perhaps more properly row vectors (this improves code reuse). Gate and layer operator objects are subclasses of LinearOperator
. Together SPAMVec
and LinearOperator
, which are both derived from ModelMember
, form the base for all of pyGSTi's model components. All ModelMember
objects have a dimension given by their dim
attribute, which for $n$ qubits is $2^n$ or $4^n$ (depending on whether pure or mixed state evolution is being considered).
Let's begin with some familiar imports.
import pygsti
import pygsti.objects as po
import numpy as np
Before getting into the pyGSTi objects, let's generate some example SPAM vectors and gate matrix. These are just NumPy arrays, and we use the stdmx_to_ppvec
function to convert a standard $2^n \times 2^n$ complex Hermitian densiy matrix to a length $4^n$ "SPAM vector" of real numbers giving the decomposition of this density matrix in the Pauli basis. The gate_mx
describes how a 1-qubit $X(\pi/2)$ rotation transforms a state vector in the Pauli basis.
gate_mx = np.array([[1, 0, 0, 0],
[0, 1, 0, 0],
[0, 0, 0, -1],
[0, 0, 1, 0]],'d')
density_mx0 = np.array([[1, 0],
[0, 0]], complex)
density_mx1 = np.array([[0, 0],
[0, 1]], complex)
spam_vec0 = pygsti.tools.stdmx_to_ppvec(density_mx0)
spam_vec1 = pygsti.tools.stdmx_to_ppvec(density_mx1)
print(spam_vec0) # just a numpy column vector
print(spam_vec0.dtype) # of *real* numbers
[[0.70710678] [0. ] [0. ] [0.70710678]] float64
The simplest kind of operators look very similar to numpy arrays (like those we created above) in which some of the elements are read-only. These operators derive from DenseOperator
or DenseSPAMVec
and hold a dense representation, meaning the a dense vector or matrix is stored in memory. SPAM, gate, and layer operators have parameters which describe how they can be varied, essentially the "knobs" which you can turn. Model
objects also have parameters that are essentially inherited from their contained operators. How an operator is parameterized is particularly relevant for protocols which optimize a Model
over its parameter space (e.g. Gate Set Tomography). Three common parameterizations are:
Here's a 1-qubit example of creating dense-operator objects:
#Operations
staticOp = po.StaticDenseOp(gate_mx)
fullOp = po.FullDenseOp(gate_mx)
tpOp = po.TPDenseOp(gate_mx)
#SPAM vectors
staticSV = po.StaticSPAMVec(spam_vec0)
fullSV = po.FullSPAMVec(spam_vec0)
tpSV = po.TPSPAMVec(spam_vec0)
#POVMs
povm = po.UnconstrainedPOVM( {'outcomeA': staticSV, 'outcomeB':tpSV} )
tppovm = po.TPPOVM( {'0': spam_vec0, '1': spam_vec1} )
for op in (staticOp,fullOp,tpOp,staticSV,fullSV,tpSV,povm,tppovm):
print("%s object has %d parameters" % (str(type(op)), op.num_params()))
<class 'pygsti.objects.operation.StaticDenseOp'> object has 0 parameters <class 'pygsti.objects.operation.FullDenseOp'> object has 16 parameters <class 'pygsti.objects.operation.TPDenseOp'> object has 12 parameters <class 'pygsti.objects.spamvec.StaticSPAMVec'> object has 0 parameters <class 'pygsti.objects.spamvec.FullSPAMVec'> object has 4 parameters <class 'pygsti.objects.spamvec.TPSPAMVec'> object has 3 parameters <class 'pygsti.objects.povm.UnconstrainedPOVM'> object has 3 parameters <class 'pygsti.objects.povm.TPPOVM'> object has 4 parameters
Although there are certain exceptions, the usual way you set the value of a SPAMVec
or LinearOperator
object is by setting the values of its parameters. Parameters must be real-valued and are typically allowed to range over all real numbers, so updating an operator's parameter-values is accomplished by passing a real-valued NumPy array of parameter values - a parameter vector - to the operators from_vector
method. Note that the length of the parameter vector must match the operator's number of parameters (returned by num_params
as demonstrated above).
We'll now set new parameter values for several of the operators we created above. Since for dense operators there's a direct correspondence between parameters and matrix or vector elements, the parameter vector may be a flattened version of a 2d array of the parameterized element values.
new_mx = np.array([[1, 0, 0, 0],
[0, 1, 0, 0],
[0, 0, 0,-0.9],
[0, 0, 0.9, 0]],'d')
fullOp.from_vector(new_mx.flatten())
print("params = ",fullOp.to_vector())
print(fullOp)
new_mx = np.array([[0, 1, 0, 0],
[0, 0, 0,-0.9],
[0, 0, 0.9, 0]],'d')
tpOp.from_vector(new_mx.flatten())
print("params = ",tpOp.to_vector())
print(tpOp)
new_vec = np.array([1/np.sqrt(2),1/np.sqrt(2),0,0],'d')
fullSV.from_vector(new_vec)
print("params = ",fullSV.to_vector())
print(fullSV)
new_vec = np.array([1/np.sqrt(2),0,0],'d')
tpSV.from_vector(new_vec)
print("params = ",tpSV.to_vector())
print(tpSV)
new_effect = np.array([1/np.sqrt(2),0.9*1/np.sqrt(2),0,0],'d')
tppovm.from_vector(new_effect)
print("params = ",tppovm.to_vector())
print(tppovm)
params = [ 1. 0. 0. 0. 0. 1. 0. 0. 0. 0. 0. -0.9 0. 0. 0.9 0. ] FullDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 params = [ 0. 1. 0. 0. 0. 0. 0. -0.9 0. 0. 0.9 0. ] TPDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 params = [0.70710678 0.70710678 0. 0. ] FullSPAMVec with dimension 4 0.71 0.71 0 0 params = [0.70710678 0. 0. ] TPSPAMVec with dimension 4 0.71 0.71 0 0 params = [0.70710678 0.6363961 0. 0. ] TPPOVM with effect vectors: 0: FullSPAMVec with dimension 4 0.71 0.64 0 0 1: ComplementSPAMVec with dimension 4 0.71-0.64 0 0
That a gate or layer operation is completely-positive and trace-preserving (CPTP) can be guaranteed if the operation is given by $\hat{O} = \exp{\mathcal{L}}$ where $\mathcal{L}$ takes the Lindblad form: $$\mathcal{L}: \rho \rightarrow \sum_i -i\lambda_i[\rho,B_i] + \sum_{ij} \eta_{ij} \left( B_i \rho B_j^\dagger - \frac{1}{2}\left\{ B_i^\dagger B_j, \rho \right\} \right) $$ where $B_i$ range over the non-identity elements of the ($n$-qubit) Pauli basis, $\lambda_i$ is real, and $\eta \ge 0$ (i.e. the matrix $\eta_{ij}$ is Hermitian and positive definite). We call the $\lambda_i$ terms Hamiltonian error terms, and the (real) $\lambda_i$s the error rates or error coefficients. Likewise, the $\eta_{ij}$ terms are referred to generically as non-Hamiltonian error terms. In the special case where the $\eta$ matrix is diagonal, the terms are called Pauli stochastic error terms and the (real) $\eta_ii > 0$ are error rates. Technical note: While all maps of the above form ($\hat{O}$) are CPTP, not all CPTP maps are of this form. $\hat{O}$ is the form of all infinitesimally-generated CPTP maps.
The LindbladOp
class represents an operation $e^{\mathcal{L}} U_0$, where $U_0$ is a unitary (super-)operator and $\mathcal{L}$ takes the Lindblad form given above. LindbladOp
objects contains a LindbladErrorgen
object that encapsulates the Lindbladian exponent $\mathcal{L}$. Lindblad operators are among the most complicated of all the operators in pyGSTi, so bear with us as we try to present things in an organized and comprehensible way.
Let's start by making a LindbladOp
from a dense gate matrix:
cptpOp = po.LindbladOp.from_operation_matrix(gate_mx)
A LindbladOp
does not hold a dense representation of its process matrix (it's not a DenseOperator
), and so you cannot access it like a Numpy array. If you want a dense representation, you can either use a LindbladDenseOp
, which is essentially a dense version of a LindbladOp
, or you can call the todense()
method (which works on dense operators too!):
print(cptpOp)
print("dense representation = ")
pygsti.tools.print_mx(cptpOp.todense()) # see this equals `gate_mx`
Lindblad Parameterized gate map with dim = 4, num params = 12 dense representation = 1.0000 0 0 0 0 1.0000 0 0 0 0 0 -1.0000 0 0 1.0000 0
Now let's look at the parameters of cptpOp
. By default, the $\mathcal{L}$ of a LindbladErrorgen
is parameterized such that $\eta \ge 0$ and the LindbladOp
map is CPTP. There are several other ways a $\mathcal{L}$ can be parameterized, and these are specified by the values of the nonham_mode
and param_mode
arguments of construction functions like from_operation_matrix
we used above. Here's a quick rundown on these options:
The value of nonham_mode
dictates what elements of $\eta$ are allowed to be nonzero. Allowed values are:
"all"
: all $\eta_{ij}$ elements can vary, possibly with constraints (see value of param_mode
)."diagonal"
: $\eta$ is diagonal; $\eta_{ij} = 0$ when $i \ne j$."diag_affine"
: a special mode where we keep track of the diagonal elements of $\eta$ and a set of affine-error coefficients.The value of param_mode
determines how the non-zero parts of $\eta$ relate to the parameters of the LindbladErrorgen
object. Allowed values are:
"cptp"
: the default, which constrains $\mathcal{L}$ so that $e^{\mathcal{L}}$ is guaranteed to be CPTP. When nonham_mode
is set to "all"
the parameters consist of 1) the $\lambda_i$ and 2) the real and imaginary parts of $M$, the Cholesky decomposition of $\eta$ ($\eta = M M^\dagger$). The reason we can't just use the real and imaginary parts of $\eta_{ij}$ as parameters is that varying (without bounds, as many optimizers require) the real and imaginary parts of $\eta_{ij}$ would not constrain $\eta \ge 0$. If "nonham_mode"
is "diagonal"
or "diag_affine"
then the mapping is simpler and the parameters are just the squares of the the $\eta_{ii}$ (and affine coefficients, in the "diag_affine"
case, are unconstrained)."depol
: works only when "nonham_mode"
is "diagonal"
or "diag_affine"
, and associates all the $\eta_{ii}^2$ values to the same parameter, which is the square of the depolarization rate."unconstrained"
: parameters are exactly the $\lambda_i$ and $\eta_{ij}$ (separated into real and imaginary parts for off-diagonal $\eta_{ij}$). This places no constrains on the positivity of $\eta$.If that didn't all make sense, don't worry. We'll be working with just the default case where nonham_mode = "all"
and param_mode = "cptp"
. This gave our single-qubit cptpOp
operator $12$ parameters: $3$ "Hamiltonian" (X,Y, and Z) + $9$ "non-Hamiltonian" (real and imaginary parts of the lower-triangular $3 \times 3$ matrix $M$).
Let's get these parameters using cptpOp.to_vector()
and print them:
print("params (%d) = " % cptpOp.num_params(),cptpOp.to_vector(),'\n')
params (12) = [ 1.11072073e+00 0.00000000e+00 0.00000000e+00 1.49011612e-08 0.00000000e+00 0.00000000e+00 0.00000000e+00 1.31504790e-08 -2.32597260e-40 0.00000000e+00 5.54619323e-09 1.19237091e-08]
All 12 parameters are essentially 0 because gate_mx
represents a (unitary) $X(\pi/2)$ rotation and $U_0$ is automatically set to this unitary so that $\exp\mathcal{L} = \mathbb{1}$. This means that all the error coefficients are zero, and this translates into all the parameters being zero. Note, however, that error coefficients are not always the same as parameters. The get_errgen_coeffs
retrieves the error coefficients, which is often more useful than the raw parameter values:
import pprint
coeff_dict, basis_dict = cptpOp.get_errgen_coeffs()
print("Coefficients in (<type>,<basis_labels>) : value form:"); pprint.pprint(coeff_dict)
print("\nBasis labels -> matrices mapping:"); pprint.pprint(basis_dict)
Coefficients in (<type>,<basis_labels>) : value form: OrderedDict([(('H', 0), 1.1107207345395913), (('H', 1), 0.0), (('H', 2), 0.0), (('S', 0, 0), (2.2204460492503126e-16+0j)), (('S', 0, 1), 0j), (('S', 0, 2), 0j), (('S', 1, 0), 0j), (('S', 1, 1), (1.7293509746866568e-16+0j)), (('S', 1, 2), (7.29350974686657e-17+3.0587653832879784e-48j)), (('S', 2, 0), 0j), (('S', 2, 1), (7.29350974686657e-17-3.0587653832879784e-48j)), (('S', 2, 2), (1.7293509746866563e-16+0j))]) Basis labels -> matrices mapping: OrderedDict([(0, array([[0. +0.j, 0.70710678+0.j], [0.70710678+0.j, 0. +0.j]])), (1, array([[0.+0.j , 0.-0.70710678j], [0.+0.70710678j, 0.+0.j ]])), (2, array([[ 0.70710678+0.j, 0. +0.j], [ 0. +0.j, -0.70710678+0.j]]))])
get_errgen_coeffs
returns two dictionaries: the first maps a shorthand description of the error term to value of the term's coefficient (rate). This shorthand description is a tuple starting with "H"
, "S"
, or "A"
to indicate the type of error term: Hamiltonian, non-Hamiltonian/stochastic, or affine. Additional elements in the tuple are basis-element labels (often integers), which reference basis matrices in the second second dictionary. Hamiltonian errors are described by a single basis element (the single index of $\lambda_i$) whereas non-Hamiltonian errors are described by two basis elements (the two indices of $\eta_{ij}$). (By placing the basis matrices in a separate dictionary we can avoid repeating the same matrices many times and avoid having to hash NumPy arrays.)
We can also initialize a LindbladErrorgen
using a pair of dictionaries in this format. Below we construct a LindbladErrorgen
with
$$\mathcal{L} = 0.1 H_X + 0.1 S_X$$
where $H_X: \rho \rightarrow -i[\rho,X]$ and $S_X: \rho \rightarrow X\rho X - \rho$ are Hamiltonian and Pauli-stochastic errors, respectively. We then use this error generator to initialize a LindbladOp
corresponding to $e^{\mathcal{L}}U_0$, where $U_0$ is a $X(\pi/2)$ rotation.
sigmax = 1/np.sqrt(2) * np.array( [[0,1],
[1,0]], 'd')
errorgen = po.LindbladErrorgen(dim=4, Ltermdict={('H','X'): 0.1, ('S','X','X'): 0.1}, basisdict={'X': sigmax})
cptpOp2 = po.LindbladOp(staticOp, errorgen)
print(cptpOp2)
pygsti.tools.print_mx(cptpOp2.todense())
Lindblad Parameterized gate map with dim = 4, num params = 2 1.0000 0 0 0 0 1.0000 0 0 0 0 -0.1275 -0.8958 0 0 0.8958 -0.1275
We can check that this LindbladOp
has the right error generator coefficients. This time we do things slightly differently by accessing the errorgen
member of the operator of the LindbladOp
:
cptpOp2.errorgen.get_coeffs() # same as cptpOp2.get_errgen_coeffs()
(OrderedDict([(('H', 0), 0.1), (('S', 0, 0), (0.1+0j))]), OrderedDict([(0, array([[0. +0.j, 0.70710678+0.j], [0.70710678+0.j, 0. +0.j]]))]))
It is possible to create "Lindblad" state preparations and POVMs using the LindbladSPAMVec
and LindbladPOVM
classes. These simply compose a $\exp\mathcal{L}$ factor (from a LindbladErrorgen
or LindbladOp
) with an existing "base" state preparation or POVM. That is, state preparations are $e^{\mathcal{L}} |\rho_0\rangle\rangle$, where $|\rho_0\rangle\rangle$ represents a "base" pure state, and effect vectors are $\langle\langle E_i | e^{\mathcal{L}}$ where $\langle\langle E_i|$ are the effects of a "base" POVM.
#Spam vectors and POVM
cptpSpamVec = po.LindbladSPAMVec(staticSV, errorgen, 'prep') # staticSV is the "base" state preparation
cptpPOVM = po.LindbladPOVM(po.LindbladOp(None, errorgen)) # by default uses the computational-basis POVM
PyGSTi makes it possible to build up "large" (e.g. complex or many-qubit) operators from other "smaller" ones. We have already seen a modest example of this above when a LindbladOp
was constructed from a LindbladErrorgen
object. Two common and useful actions for building large operators are:
Composition: A ComposedOp
composes zero or more other operators, and therefore it's action is the sequential application of each of its factors. The dense representation of a ComposedOp
is equal to the product (in reversed order!) of the dense representations of its factors. Note that a ComposedOp
does not, however, require that its factors have dense representations - they can be any LinearOperator
objects. Note, finally, that there exists a dense version of ComposedOp
called ComposedDenseOp
. The dense versions of operators can sometimes result in faster calculations when the system size (qubit number) is small.
Embedding: An EmbeddedOp
maps an operator on a subsystem of a state space to the full state space. For example, it could take a 1-qubit $X(\pi/2)$ rotation and make a 3-qubit operation in which this operation is applied to the 2nd qubit. Embedded operators are very useful for constructing layer operations in multi-qubit models, where we naturally prefer to work with the lower-dimensional (typically 1- and 2-qubit) operations and need to build up $n$-qubit layer operations.
We'll being by creating an operation that composes several of the dense operations we made earlier:
composedOp = po.ComposedOp((staticOp,tpOp,fullOp))
print(composedOp)
print("Before interacting w/Model:",composedOp.num_params(),"params")
Composed gate of 3 factors: Factor 0: StaticDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-1.00 0 0 1.00 0 Factor 1: TPDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 Factor 2: FullDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 Before interacting w/Model: 0 params
This all looks good except we may have expected that composedOp.num_params()
would be $0+12+16=28$ (the sum of the parameter-counts of the factors). What's going on? To get the ComposedOp
to "realize" how many parameters it has we'll need to add it to a Model
and call the model's .num_params()
to refresh the model's number of parameters.
Technical note: Model
objects are actually seen as owning the parameters, and more advanced operators like ComposedOp
and EmbeddedOp
must interact with a model before their parameters are allocated.
We'll create a dummy Model
object named mdl
, and after we add composedOp
to mdl
and call mdl.num_params()
things work like we expect them to:
mdl = po.ExplicitOpModel(['Q0']) # create a single-qubit model
mdl.operations['Gcomposed'] = composedOp
mdl.num_params()
print("After: interacting w/Model:",composedOp.num_params(),"params")
for i,op in enumerate(composedOp.factorops):
print("Factor %d (%s) has %d params" % (i,op.__class__.__name__,op.num_params()))
After: interacting w/Model: 28 params Factor 0 (StaticDenseOp) has 0 params Factor 1 (TPDenseOp) has 12 params Factor 2 (FullDenseOp) has 16 params
Here's how to embed a single-qubit operator (fullOp
, created above) into a 3-qubit state space, and have fullOp
act on the second qubit (labelled "Q1"
). Note that the parameters of an EmbeddedOp
are just those of the underlying operator (the one that has been embedded).
embeddedOp = po.EmbeddedOp(['Q0','Q1','Q2'],['Q1'],fullOp)
print(embeddedOp)
print("Dimension =",embeddedOp.dim, "(%d qubits!)" % (np.log2(embeddedOp.dim)/2))
print("Number of parameters =",embeddedOp.num_params())
Embedded gate with full dimension 64 and state space Q0(2)*Q1(2)*Q2(2) that embeds the following 4-dimensional gate into acting on the ['Q1'] space FullDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 Dimension = 64 (3 qubits!) Number of parameters = 16
We can design even more complex operations using combinations of composed and embedded objects. For example, here's a 3-qubit operation that performs three separate 1-qubit operations (staticOp
, fullOp
, and tpOp
) on each of the three qubits. (These three operations happen to all be $X(\pi/2)$ gates because we're lazy and didn't bother to use gate_mx
values in our examples above, but they could be entirely different.) The resulting combinedOp
might represent a layer in which all three gates occur simultaneously.
# use together
mdl_3Q = po.ExplicitOpModel(['Q0','Q1','Q2'])
combinedOp = po.ComposedOp( (po.EmbeddedOp(['Q0','Q1','Q2'],['Q0'],staticOp),
po.EmbeddedOp(['Q0','Q1','Q2'],['Q1'],fullOp),
po.EmbeddedOp(['Q0','Q1','Q2'],['Q2'],tpOp))
)
mdl_3Q.operations[(('Gstatic','Q0'),('Gfull','Q1'),('Gtp','Q2'))] = combinedOp
mdl_3Q.num_params() # to recompute & allocate the model's parametes
print(combinedOp)
print("Number of parameters =",combinedOp.num_params())
Composed gate of 3 factors: Factor 0: Embedded gate with full dimension 64 and state space Q0(2)*Q1(2)*Q2(2) that embeds the following 4-dimensional gate into acting on the ['Q0'] space StaticDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-1.00 0 0 1.00 0 Factor 1: Embedded gate with full dimension 64 and state space Q0(2)*Q1(2)*Q2(2) that embeds the following 4-dimensional gate into acting on the ['Q1'] space FullDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 Factor 2: Embedded gate with full dimension 64 and state space Q0(2)*Q1(2)*Q2(2) that embeds the following 4-dimensional gate into acting on the ['Q2'] space TPDenseOp with shape (4, 4) 1.00 0 0 0 0 1.00 0 0 0 0 0-0.90 0 0 0.90 0 Number of parameters = 28
While this tutorial covers the main ones, there're even more model-building-related objects that we haven't had time to cover here. We plan to update this tutorial, making it more comprehensive, in future versions of pyGSTi.