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arXiv:2407.21775 · Nature Communications

Shadow hamiltonian simulation

Rolando D. Somma, Robbie King, Robin Kothari, Thomas E. O’Brien, Ryan Babbush

Published Mar 19, 2025• 9 citations
arXivHTMLPDF

Abstract

Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity. Here, we present a different and novel approach to quantum simulation that uses a compressed quantum state that we call the “shadow state”. The amplitudes of this shadow state are proportional to the time-dependent expectations of a specific set of operators of interest, and it evolves according to its own Schrödinger equation. This evolution can be simulated on a quantum computer efficiently under broad conditions. Applications of this approach to quantum simulation problems include simulating the dynamics of exponentially large systems of free fermions or free bosons, the latter example recovering a recent algorithm for simulating exponentially many classical harmonic oscillators. These simulations are hard for classical methods and also for traditional quantum approaches, as preparing the full states would require exponential resources. Shadow Hamiltonian simulation can also be extended to simulate expectations of more complex operators such as two-time correlators or Green’s functions, and to study the evolution of operators themselves in the Heisenberg picture. When performing quantum simulation, oftentimes the properties of interest are only a subset of the information contained in the entire state. Here, the authors devise a different type of quantum simulation, where they work with a compressed quantum state whose amplitudes are proportional to expected values of some specific observables of interest.

DOI
10.1038/s41467-025-57451-z

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Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity. Here, we present a different and novel approach to quantum simulation that uses a compressed quantum state that we call the “shadow state”. The amplitudes of this shadow state are proportional to the time-dependent expectations of a specific set of operators of interest, and it evolves according to its own Schrödinger equation. This evolution can be simulated on a quantum computer efficiently under broad conditions. Applications of this approach to quantum simulation problems include simulating the dynamics of exponentially large systems of free fermions or free bosons, the latter example recovering a recent algorithm for simulating exponentially many classical harmonic oscillators. These simulations are hard for classical methods and also for traditional quantum approaches, as preparing the full states would require exponential resources. Shadow Hamiltonian simulation can also be extended to simulate expectations of more complex operators such as two-time correlators or Green’s functions, and to study the evolution of operators themselves in the Heisenberg picture. When performing quantum simulation, oftentimes the properties of interest are only a subset of the information contained in the entire state. Here, the authors devise a different type of quantum simulation, where they work with a compressed quantum state whose amplitudes are proportional to expected values of some specific observables of interest.
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The simulation of quantum physical systems is expected to be an important application for quantum computers. The work presented in this dissertation aims to improve the resource requirements of quantum computers for solving simulation problems, by providing both novel quantum algorithms and improved implementations of existing ones. I present three main results that cover diverse aspects of simulation including equilibrium physics, the preparation of useful quantum states, and simulations based on classical stochastic processes. The results rely on established quantum algorithms and other recent techniques which I review. My first original contribution is a new quantum algorithm to sample from the thermal Gibbs state of quantum Hamiltonians. The complexity of this algorithm has an exponentially improved dependence on precision compared to an earlier quantum algorithm, and also provides polynomial improvements in other parameters. My second contribution is an improved algorithm to implement reflections about the eigenstates of unitary operators and Hamiltonians, an operation that can be used to prepare ground states of many-body Hamiltonians by quantum amplitude amplification. The improved algorithm for implementing reflections significantly reduces the number of ancilla qubits required over earlier implementations. The improvement relies in part on a novel quantum algorithm for efficiently preparing states with Gaussian-like amplitudes, which may have broad applications. I also prove a lower bound for implementing reflections, which shows that our algorithm is almost optimal. My third and final contribution regards quantum algorithms for classical stochastic processes, which are of importance in statistical physics. I present a quantum algorithm that estimates the average running time of a stochastic process, and provides a quadratic speed-up over a comparable classical algorithm.
Measuring properties of quantum systems is a fundamental problem in quantum mechanics. We provide a simple method for estimating the expectation value of observables with an unknown quantum state. The idea is to use a data structure to sample the terms of observables based on the Pauli decomposition proportionally to their importance. We call this technique operator shadow as a shorthand for the procedure of preparing a sketch of an operator to estimate properties. Only when the numbers of observables are small for multiple local observables, the sample complexity of this method is better than the classical shadow technique. However, if we want to estimate the expectation value of a linear combination of local observables, for example the energy of a local Hamiltonian, the sample complexity is better on all parameters. The time complexity to construct the data structure is 2O(k)2^{O(k)}2O(k) for kkk-local observables, similar to the post-processing time of classical shadows.
We introduce a hybrid classical-quantum algorithm for simulating a Hamiltonian of the form H=∑i=1KHi=∑i=1KHi1⊗Hi2⊗⋯⊗HiMH= \sum_{i=1}^K H_i = \sum_{i=1}^K H_{i_1} \otimes H_{i_2} \otimes \cdots \otimes H_{i_M}H=∑i=1K​Hi​=∑i=1K​Hi1​​⊗Hi2​​⊗⋯⊗HiM​​. Given that the entries of all {Hi1,Hi2,⋯ ,HiM}\{ H_{i_1}, H_{i_2} , \cdots , H_{i_M}\}{Hi1​​,Hi2​​,⋯,HiM​​} (for all iii) are classically known, we present a procedure (with three variants) in which these operators are classically diagonalized, and then this information is fed into three possible quantum procedures to obtain the block-encoding of HHH. The evolution operator exp⁡(−iHt)\exp(-iHt)exp(−iHt) is then obtained using the standard block-encoding/quantum singular value transformation framework. In the case where {Hi}i=1K\{H_i\}_{i=1}^K{Hi​}i=1K​ commute pairwise, our method can be trivially extended to the case with time-dependent coefficients. We provide a detailed discussion of the efficient regime of our hybrid framework and compare it with existing quantum simulation algorithms. Our algorithm can serve as a useful complement to existing quantum simulation algorithms, thereby expanding the reach of quantum computers for practically simulating physical systems. As a side contribution, we will show how the recent technique called \textit{randomized truncation to a quantum state} developed by Harrow, Lowe, and Witteveen [arXiv preprint arXiv:2510.08518, 2025] can be applied to the context of quantum simulation and particularly quantum state preparation, for which the latter can be of independent interest.
Quantum simulation involves using a quantum system to study another quantum system. The proposal to simulate quantum physics using quantum mechanical devices, as outlined by Richard Feynman in 1982, stems from classical computers' challenges in simulating quantum systems. The pursuit of simulating complex quantum systems has led to the intersection of quantum mechanics and quantum computing. This offers new opportunities to understand and manipulate the quantum world. Central to describing quantum dynamics is the Hamiltonian operator H^\hat{H}H^, which governs the time evolution of physical systems and serves as the mathematical foundation for quantum simulations. This thesis explores the methodologies and advancements in simulating Hamiltonian operators on quantum computers, focusing on decomposing these operators into quantum gates and the efficiency gains over classical computational approaches. Initially, the thesis explains the fundamental theory and basics of quantum computing. Further it dives into the foundations of the Hamiltonian operator within quantum mechanics, highlighting its role in describing the dynamics of quantum systems. The complexity and high-dimensional nature of Hamiltonian matrices necessitate using quantum computers to simulate quantum phenomena accurately and efficiently. The process of simulating the Hamiltonian operator on a quantum computer involves a detailed examination of the strategies for decomposing the operator into a sequence of quantum gates. This decomposition is crucial for translating the abstract mathematical description of quantum systems into the physical operations of a quantum computer. By utilizing the principles of quantum mechanics, such as superposition and entanglement, quantum gates manipulate qubits to mimic the evolution of quantum states as the Hamiltonian operator dictates. Latter portions of the thesis are dedicated to comparing the efficiency of quantum simulations against traditional classical simulations and inspecting efficient quantum simulations. Quantum computers offer a polynomial or an exponential speedup for certain classes of problems, such as those involving highly entangled quantum states or requiring the simulation of complex quantum dynamics. This advantage is due to the quantum computer's ability to naturally represent and process quantum information - a task for which classical computers require exponential resources as the system size increases. The efficiency of simulating the Hamiltonian operator on a quantum computer is further enhanced through optimization techniques and algorithmic improvements. These include error mitigation strategies and the development of quantum algorithms tailored to specific types of Hamiltonian operators. The thesis presents a comprehensive analysis of these methods, demonstrating how they make quantum simulations more practical and accessible for scientific research and technological development. In conclusion this thesis is a literature review that examines the transformative potential of quantum simulations. By efficiently simulating the Hamiltonian operator on quantum computers researchers can explore quantum phenomena with precision, paving the way for breakthroughs in quantum physics, materials science, and beyond. The advancements in quantum computing technology and algorithmic approaches discussed here highlight the current capabilities and future explorations in the quantum realm.
We present shadow spectroscopy as a simulator-agnostic quantum algorithm for estimating energy gaps using very few circuit repetitions (shots) and no extra resources (ancilla qubits) beyond performing time evolution and measurements. The approach builds on the fundamental feature that every observable property of a quantum system must evolve according to the same harmonic components: we can reveal them by postprocessing classical shadows of time-evolved quantum states to extract a large number of time-periodic signals N o ∝ 10 8 , whose frequencies correspond to Hamiltonian energy differences with precision limited as ϵ ∝ 1 / T for simulation time T . We provide strong analytical guarantees that (a) quantum resources scale as O ( log  N o ) , while the classical computational complexity is linear O ( N o ) , (b) the signal-to-noise ratio increases with the number of processed signals as ∝ N o , and (c) spectral peak positions are immune to reasonable levels of noise. We demonstrate our approach on model spin systems and the excited-state conical intersection of molecular CH 2 and verify that our method is indeed intuitively easy to use in practice, robust against gate noise, amiable to a new type of algorithmic-error mitigation technique, and uses relatively few shots given a reasonable initial state is supplied—we demonstrate that even 10 shots per time step can be sufficient. Finally, we measured a high-quality, experimental shadow spectrum of a spin chain on readily available IBM quantum computers, achieving the same precision as in noise-free simulations without using any advanced error mitigation, and verified scalability in tensor-network simulations of up to 100-qubit systems.