Quantum Machine Learning models typically require expensive on-chip training procedures and often lack efficient gradient estimation methods. By employing Pauli propagation, it is possible to derive a symbolic representation of observables as analytic functions of a circuit's parameters. Although the number of terms in such functional representations grows rapidly with circuit depth, suitable choices of ansatz and controlled truncations on Pauli weights and trigonometric degree components yield accurate yet tractable estimators of the target observables. With the right ansatz design, this approach can be extended to system sizes beyond the reach of classical statevector simulation, enabling scalable training for larger quantum systems. This also enables a form of classical pre-training through gradient-based optimization prior to deployment on quantum hardware. The proposed approach is demonstrated on the Variational Quantum Eigensolver for obtaining the ground state of the ANNNI spin model on 32 qubits, showing that accurate results can be achieved with a scalable and computationally efficient procedure.
Quantum Machine Learning models typically require expensive on-chip training procedures and often lack efficient gradient estimation methods. By employing Pauli propagation, it is possible to derive a symbolic representation of observables as analytic functions of a circuit's parameters. Although the number of terms in such functional representations grows rapidly with circuit depth, suitable choices of ansatz and controlled truncations on Pauli weights and trigonometric degree components yield accurate yet tractable estimators of the target observables. With the right ansatz design, this approach can be extended to system sizes beyond the reach of classical statevector simulation, enabling scalable training for larger quantum systems. This also enables a form of classical pre-training through gradient-based optimization prior to deployment on quantum hardware. The proposed approach is demonstrated on the Variational Quantum Eigensolver for obtaining the ground state of the ANNNI spin model on 32 qubits, showing that accurate results can be achieved with a scalable and computationally efficient procedure.
Scaling parametrized quantum circuits to a larger number of qubits is a central challenge in Quantum Machine Learning: gradient estimation via the parameter-shift rule quickly becomes prohibitively expensive, while gradient-free optimizers offer limited convergence guarantees. We apply the Pauli propagation framework to a broad class of Quantum Machine Learning problems in which the loss is expressed as a function of expectation values of the circuit's observables, while keeping the relevant quantity of interest, such as the quantum state or its samples, classically intractable to compute. By propagating the observables backward through the circuit, we obtain an explicit parametric expression for the loss that can be minimized entirely on classical hardware. We also present complementary strategies to make propagation tractable at large scale, including weight-based and degree-based truncations and pruning heuristics. We demonstrate the approach on two benchmarks run on 64-qubit circuits: Variational Quantum Eigensolver on a two-dimensional Ising model, and training of a discrete-type generative model for binary images. In both cases, the classically pre-trained parameters are deployed on the IBM quantum processor ibm_berlin. For generative learning, we additionally show that the circuits considered here require substantially fewer parametrized gates than IQP-style ansätze, reducing transpilation overhead and making deployment on current quantum hardware feasible.
Variational quantum algorithms utilize parameterized circuits many times during training, at new parameter values, over batches of data, and with gradients. Pauli propagation approximates the expectation values of such circuits classically by evolving the observable in the Heisenberg picture as a truncated sum of Pauli strings. We present PADO-Pauli, a GPU engine for Pauli propagation that compiles a circuit and its observables once into sparse matrices in which each rotation angle contributes only a cosine and a sine factor, so every later evaluation reuses the compiled program. It evaluates batches of parameters and data inputs embedded as rotation angles. By default its gradients come from a vector-Jacobian product registered with PyTorch's automatic differentiation, so they flow through the angles to any classical layer that produces them. PADO-Pauli also provides truncation by Pauli weight and coefficient size, and noise channels. Zero-filtering removes terms that do not contribute to an expectation value in the all-zero reference state and makes the batched forward pass about 1.5 times faster. Compared to cuPauliProp on an NVIDIA A100, PADO-Pauli evaluates up to 10 times faster on 4 to 12 qubits and uses up to 3.1 times less memory on 16 qubits. We check its accuracy against exact statevector simulation up to 28 qubits. These features make PADO-Pauli a practical toolkit for training variational quantum algorithms, including quantum machine learning models.
Exploiting near-term quantum computers and achieving practical value is a considerable and exciting challenge.Most prominent candidates as variational algorithms typically aim to find the ground state of a Hamiltonian by minimizing a single classical (energy) surface which is sampled from by a quantum computer.Here, we introduce a method we call CoVaR, an alternative means to exploit the power of variational circuits: We find eigenstates by finding joint roots of a polynomially growing number of properties of the quantum state as covariance functions between the Hamiltonian and an operator pool of our choice.The most remarkable feature of our CoVaR approach is that it allows us to fully exploit the extremely powerful classical shadow techniques; i.e., we simultaneously estimate a very large number > 10 4 -10 7 of covariances.We randomly select covariances and estimate analytical derivatives at each iteration applying a stochastic Levenberg-Marquardt step via a large but tractable linear system of equations that we solve with a classical computer.We prove that the cost in quantum resources per iteration is comparable to a standard gradient estimation; however, we observe in numerical simulations a very significant improvement by many orders of magnitude in convergence speed.CoVaR is directly analogous to stochastic gradient-based optimizations of paramount importance to classical machine learning while we also offload significant but tractable work onto the classical processor.As we demonstrate numerically, the approach shares features with phase-estimation protocols that prepare eigenstates with a dominant initial fidelity contribution.
Machine learning provides a scalable solution for quantum error mitigation. However, the selection of appropriate Pauli strings for inclusion in training data remains a challenge. Current methods rely on heuristic or uniform random sampling, requiring data for every Pauli string in the Hamiltonian, a process that scales linearly with measurements and grows with system size. To address this, we introduce quantum error mitigation with prior knowledge of Pauli weights (Pauli weight quantum error mitigation (Pi-QEM)), a systematic framework that selects training observables based on Pauli weight. By leveraging the relationship between variance and locality in parameterized quantum circuits, Pi-QEM trains on a small subset of dominant, low-weight Pauli strings. In numerical simulations of molecular systems on a noisy IBM quantum backend, Pi-QEM reduces ground-state energy estimation error by up to 34.01% using just a single dominant local observable, offering an efficient, scalable pathway for high-precision error mitigation on NISQ devices.
The training of a parameterized model largely depends on the landscape of the underlying loss function. In particular, vanishing gradients are a central bottleneck in the scalability of variational quantum algorithms (VQAs), and are known to arise in various ways. However, a caveat of most existing gradient bound results is the requirement of t-design circuit assumptions that are typically not satisfied in practice. In this work, we loosen these assumptions altogether and derive tight upper and lower bounds on loss and gradient concentration for a large class of parameterized quantum circuits and arbitrary observables, which are significantly stronger than prior work. Moreover, we show that these bounds, as well as the variance of the loss itself, can be estimated efficiently and classically-providing practical tools to study the loss landscapes of VQA models, including verifying whether or not a circuit/observable induces barren plateaus. In particular, our results can readily be leveraged to rule out barren plateaus for a realistic class of ansätze and mixed observables, namely, observables containing a non-vanishing local term. This insight has direct implications for hybrid Quantum Generative Adversarial Networks (qGANs). We prove that designing the discriminator appropriately leads to 1-local weights that stay constant in the number of qubits, regardless of discriminator depth. This implies that qGANs with appropriately chosen generators do not suffer from barren plateaus even at scale-making them a promising candidate for applications in generative quantum machine learning. We demonstrate this result by training a qGAN to learn a 2D mixture of Gaussian distributions with up to 16 qubits, and provide numerical evidence that global contributions to the gradient, while initially exponentially small, may kick in substantially over the course of training.
Accurately estimating observables on noisy quantum devices remains a central challenge for near-term quantum algorithms. While quantum error mitigation techniques can reduce noise-induced bias, they often rely on unverifiable assumptions about the circuit noise, and cannot guarantee the magnitude of residual bias error. Here, rather than using classical resources to mitigate a noisy quantum circuit execution, we propose a hybrid algorithm that uses quantum resources to improve the accuracy of approximate classical Pauli-path simulation. Our protocol, Quantum Enhanced Pauli Propagation (QuEPP), uses Clifford perturbation theory (CPT) to construct a classically simulable ensemble of Clifford circuits from the low-order terms in CPT, which directly provide the approximate classical Pauli-path simulation of the target circuit. Noisy quantum expectation values of this ensemble are then used to infer a global rescaling factor that corrects quantum execution of the target circuit, providing higher-order contributions absent from the truncated low-order classical simulation. This approach requires no noise characterization, applies to arbitrary circuits, and provides a provable route to asymptotically unbiased estimates. Using IBM Heron hardware, we demonstrate QuEPP on 2D random mirror circuits of up to 49 qubits and circuit depth 80, as well as Trotterized Hamiltonian evolution, showing consistent improvements beyond classical CPT and unmitigated quantum results. QuEPP offers a simple, scalable, and model-free framework for enabling accurate quantum computation in the pre-fault-tolerant era.