Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this Letter, we give quantum algorithms which, given any k-body Hamiltonian H, compute an estimate for the ground state energy and prepare a quantum state achieving said energy, respectively. Specifically, for any ϵ>0, our algorithms return, with high probability, an estimate of the ground state energy of H within additive error ϵM, or a quantum state with the corresponding energy. Here, M is the total strength of all interaction terms, which in general is extensive in the system size. Our approach makes no assumptions about the geometry or spatial locality of interaction terms of the input Hamiltonian and thus handles even long-range or all-to-all interactions, such as in quantum chemistry, where lattice-based techniques break down. In this fully general setting, the run-time of our algorithms scales as 2^{cn/2} for c<1, yielding the first quantum algorithms for low-energy estimation breaking a standard square root Grover speedup for unstructured search. The core of our approach is remarkably simple, and relies on showing that an extensive fraction of the interactions can be neglected with a controlled error. What this ultimately implies is that even arbitrary k-local Hamiltonians have structure in their low energy space, in the form of an exponential-dimensional low energy subspace.
Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this Letter, we give quantum algorithms which, given any k-body Hamiltonian H, compute an estimate for the ground state energy and prepare a quantum state achieving said energy, respectively. Specifically, for any ϵ>0, our algorithms return, with high probability, an estimate of the ground state energy of H within additive error ϵM, or a quantum state with the corresponding energy. Here, M is the total strength of all interaction terms, which in general is extensive in the system size. Our approach makes no assumptions about the geometry or spatial locality of interaction terms of the input Hamiltonian and thus handles even long-range or all-to-all interactions, such as in quantum chemistry, where lattice-based techniques break down. In this fully general setting, the run-time of our algorithms scales as 2^{cn/2} for c<1, yielding the first quantum algorithms for low-energy estimation breaking a standard square root Grover speedup for unstructured search. The core of our approach is remarkably simple, and relies on showing that an extensive fraction of the interactions can be neglected with a controlled error. What this ultimately implies is that even arbitrary k-local Hamiltonians have structure in their low energy space, in the form of an exponential-dimensional low energy subspace.
Near-Optimal Bounds on the Density of Low-Energy States of k-Local Hamiltonians and Faster Quantum Algorithms
Low-energy estimation and state preparation for general k-local Hamiltonians are fundamental challenges in quantum complexity theory. Buhrman et al.~ [BGLGST, PRL 2025] recently broke the natural Grover bound O∗(2n/2) for both problems, with the improvement depending on the relative accuracy ε and the locality k. In this work, we present faster exponential quantum algorithms for these problems, where the binary entropy function governs the runtime exponent. For sufficiently small ε/k, our algorithms improve the exponent by a factor of log(k/ε) over [BGLGST, PRL 2025]. Our main technical result is an entropy-governed lower bound on the dimension of the Hamiltonian's low-energy subspace, obtained by depolarizing its ground state. For fixed k, this bound is optimal up to constant factors in the exponent. The same framework yields tighter bounds for Heisenberg, XY, and Ising models on arbitrary interaction graphs.
Low-energy estimation and state preparation for general k-local Hamiltonians are fundamental challenges in quantum complexity theory. For constant relative accuracy, Buhrman et al. (PRL 2025) recently broke the natural Grover bound O(2n/2), where n denotes the number of qubits, for both problems. In this paper, for any sufficiently small parameter d≥0, we present an even faster quantum algorithm that outputs a quantum state with energy bounded by the minimum energy over all depth-d states (i.e., states obtained by applying a depth-d circuit to the all-zero state), together with an estimate of this energy. For the class of Hamiltonians with depth-d ground states, our algorithm furthermore achieves exactly the same energy guarantees as Buhrman et al. Our results also provide insight into the distinction between strongly entangled states and those admitting efficient classical descriptions.
Ground-state preparation, energy estimation, and property estimation are fundamental tasks in quantum simulation. Existing ground-state preparation algorithms achieve near-optimal complexity using block encodings or controlled Hamiltonian evolution, raising a natural question: is controlled Hamiltonian evolution necessary, or can the same scaling be attained in the weaker access model that provides access to only uncontrolled Hamiltonian evolution? We resolve this question by giving two algorithms that access the input Hamiltonian H only through queries to UH and its inverse UH†, where ∥H∥≤αH and τ=Θ(1/αH). Given an input state with ground-state weight at least η and a spectral gap of H of at least γ, our first algorithm uses fresh copies of the input state and requires O(αH/(γη)) queries to UH and UH†, while our second algorithm uses coherent access to the input-state preparation unitary and its inverse to improve this complexity to O(αH/(γη)). The latter bound matches the known lower bound up to logarithmic factors, showing that algorithms with additional access to controlled Hamiltonian evolution cannot improve the query complexity for ground-state preparation beyond logarithmic factors. Both algorithms are based on a simple mechanism that we call the spectral descent principle, in which the algorithm starts from the input state ∣ψ⟩ and progressively descends through the energy spectrum, moving closer to the ground state until the desired fidelity is reached. We also extend this framework to ground-state property and energy estimation and give explicit complexity guarantees for both tasks.
In ab-initio quantum chemistry, solving the electronic structure problem of a molecular system of interest to obtain an approximation of the ground and, in some cases, the excited state energies is a core and central task in various quantum chemistry processes. These include, but certainly not limited to, the calculation of the activation energy–that is the minimal energy required to launch a given chemical reaction–, the dipole and multipole moments which describe the polarity of the molecule, performing the optimization of the geometry of the molecule and searching for transition states. Furthermore, many quantum chemistry applications are predicated, not merely on the approximation of the ground state energy, but also on the corresponding first order derivatives. The body of literature of classical algorithms approximating the ground state energy and its first order derivative is extensively rich with a plethora of methods such as self-consistent mean-field methods, coupled-cluster methods, density matrix renormalization group and many more, each of which has intrinsic set of properties and characteristics that makes it suitable for specific tasks and cases. However, classical methods face a practically insurmountable challenge: the efficient computation of high accuracy approximation of ground state energies of large system sizes. This is fundamentally because the electronic structure problem provably belongs to the complexity class of QMA-hard problems. Which also means that it is out of reach for quantum algorithms as well in general. However, with certain assumptions that are expected to hold molecules of interest–that so far proved to be classically challenging because the required accuracy set by the standard of chemical accuracy threshold (generally held in quantum chemistry)– quantum algorithms can efficiently treat such cases. While originally theorized by Richard Feynmann as a potentially efficient way of simulating some classically intractable many-body systems, quantum computing has since proven to have a stronger and richer potential paving the way for the inception of new algorithms such as Shor’s algorithm for integer factorization, HHL for solving linear system of equation and Grover’s algorithm for constrained binary search, just to name a few. These algorithms provably exhibit an improvement rate that goes respectively exponentially and quadratically in the time complexity. Quantum chemistry is considered a prominent candidate to benefit from quantum computing given the variety of quantum algorithms put forth to solve the electronic structure problem of particular systems of interest. These quantum algorithm proposals can be broadly categorized in three main categories that span the spectrum: from noisy intermediate scale quantum (NISQ) computers to early and full scale fault tolerant quantum ((E)FTQC) computers. Firstly, the variational quantum eigensolver (VQE) family of quantum algorithms which variationally search for the ground state energy through the optimization of the energy of a parametrized state prepared in a quantum computer using an ansatz. Secondly, the quantum Krylov subspace diagonalization (QKSD) methods, which generate a subspace of the original Hilbert space and efficiently produce the lowest energy in said subspace as its output. Lastly, we have the quantum phase estimation (QPE) algorithms, which provably produce the ground state energy in Heisenberg scaling presenting hence a provable efficient solution. In this thesis, we firstly set to work on the problem of efficient Hamiltonian linear combination of unitaries (LCU) representation. This is mainly motivated by the wide-range impact an efficient compression of the Hamiltonian can potentially have on several quantum algorithms such as VQE, QPE...etc. We designed a method that efficiently compress the Hamiltonian representation in a way that is beneficially impactful across the set of the aforementioned quantum algorithms. Namely, we motivate and present in Sections 1.3 and 1.4 respectively, the regularized compressed double-factorization (RC-DF) and show how it reduces the energy measurement complexity both in terms of number of distinct observables and number of samples. Moreover, it also reduces the total depth of the quantum phase estimation circuit thanks to its low normalization factor. Secondly, given the importance of the energy derivatives, in Sections 2.1 and 2.2, we introduce and present an efficient quantum algorithm for the calculation of the analytic gradient of VQE energies of double-factorized Hamiltonians. Furthermore, in Section 2.1, we expand on the utility of RC-DF by presenting a quantum algorithm that determines the analytic gradient of energies measured with respect to RC-DF Hamiltonains. Third, in Section 3.1, we summarize the theoretical results of purification error-mitigation techniques, namely echo verification and virtual distillation. In Section 3.2, we report on the results of the experimental bench mark, of said techniques, performed on on Google’s Sycamore device to validate the theoretical scaling of error suppression and extrapolate the resources needed for classically intractable system sizes. Fourth, in Section 4 we establish the challenges of computing energy gradients in a quantum Krylov frame work. To overcome the problem, we provide, in Section 4.3, an efficient quantum algorithm for calculating energy derivative obtained through QKSD procedures. Our approach shows how the QKSD ground state can be prepared using quantum signal processing (QSP) and reduces the number of observables to O(1) per reduced density matrix (RDM). Lastly, in light of the importance of quantum RAMs due to their utility in a variety of quantum algorithms that require efficient initial state preparation, as explained in Section 5.5, we address the problematic exponential depth of the bucket-brigade QRAM (when decomposed). We present in Section 5.6 a very efficient Clifford+T decomposition of the bucket-brigade QRAM, which preserves the linear scaling of the depth of the circuit without introducing any additional ancilla.
Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We assume that an initial state with non-trivial overlap with the ground state can be efficiently prepared, and the spectral gap between the ground energy and the first excited energy is bounded from below. With these assumptions we design an algorithm that prepares the ground state when an upper bound of the ground energy is known, whose runtime has a logarithmic dependence on the inverse error. When such an upper bound is not known, we propose a hybrid quantum-classical algorithm to estimate the ground energy, where the dependence of the number of queries to the initial state on the desired precision is exponentially improved compared to the current state-of-the-art algorithm proposed in [Ge et al. 2019]. These two algorithms can then be combined to prepare a ground state without knowing an upper bound of the ground energy. We also prove that our algorithms reach the complexity lower bounds by applying it to the unstructured search problem and the quantum approximate counting problem.
Preparing low-energy states of many-body Hamiltonians is a central challenge in quantum computing, quantum complexity, and condensed matter physics. Existing approaches often get trapped in suboptimal states such as high-energy eigenstates or, more generally, low-variance states that resist further energy reduction. In this work, we explore a different perspective: instead of optimizing with respect to a single Hamiltonian, we leverage the fact that many systems admit families of Hamiltonians that share similar low-energy subspaces but differ at higher energies. We show that this redundancy can be turned into an algorithmic resource by establishing an energy-based uncertainty principle, which implies that these Hamiltonians cannot simultaneously admit low-variance states at higher energies. This suggests a simple strategy of alternating energy-lowering steps across such Hamiltonians, which we investigate numerically on several models. We also introduce a sparse variant where the uncertainty principle yields quadratically larger variance at higher energies, leading to more pronounced energy change. Overall, this work suggests a range of open questions at the interface of random matrix theory, local Hamiltonians and low-energy state preparation, aimed at understanding when such approaches are practical and how they can be analyzed rigorously.