Hamiltonian representations based on the sum-of-squares (SOS) hierarchy provide rigorous lower bounds on ground-state energies and facilitate the design of efficient classical and quantum simulation algorithms. This work presents a unified framework connecting SOS decompositions with variational two-particle reduced density matrix (v2RDM) theory. We demonstrate that the ``weighted'' SOS ansatz naturally recovers the dual of the v2RDM program, enabling the strict enforcement of symmetry constraints such as particle number and spin. We provide explicit SOS constructions for the Hubbard model and electronic structure Hamiltonians, ranging from spin-free approximations to full rank-2 expansions. We also highlight theoretical connections to block-invariant symmetry shifts. Numerical benchmarks on molecular systems and Iron-Sulfur clusters validate these near frustration-free representations, demonstrating their utility in improving spectral gap amplification and reducing block encoding costs in quantum algorithms.
A Hierarchy of Spectral Gap Certificates for Frustration-Free Spin Systems
Universiteit Leiden（莱顿大学）；Instituut-Lorentz, Universiteit Leiden（莱顿大学洛伦兹研究所）；University of Vienna（维也纳大学）；Ulm University（乌尔姆大学）；Center for Integrated Quantum Science and Technology (IQST)（集成量子科学与技术中心）；Università di Padova（帕多瓦大学）；Padua Quantum Technologies Research Center, Università degli Studi di Padova（帕多瓦大学帕多瓦量子技术中心）
We study the ground-state space properties for frustration-free Hamiltonians. We introduce a concept of `reduced spaces' to characterize local structures of ground-state spaces. For a many-body system, we characterize mathematical structures for the set $Θ_k$ of all the $k$-particle reduced spaces, which with a binary operation called join forms a semilattice that can be interpreted as an abstract convex structure. The smallest nonzero elements in $Θ_k$, called atoms, are analogs of extreme points. We study the properties of atoms in $Θ_k$ and discuss its relationship with ground states of $k$…
The problem of finding the ground state of a frustration-free Hamiltonian carrying only two-body interactions between qubits is known to be solvable in polynomial time. It is also shown recently that, for any such Hamiltonian, there is always a ground state that is a product of single- or two-qubit states. However, it remains unclear whether the whole ground space is of any succinct structure. Here, we give a complete characterization of the ground space of any two-body frustration-free Hamiltonian of qubits. Namely, it is a span of tree tensor network states of the same tree structure. This c…
The adiabatic quantum algorithm has drawn intense interest as a potential approach to accelerating optimization tasks using quantum computation. The algorithm is most naturally realised in systems which support Hamiltonian evolution, rather than discrete gates. We explore an alternative approach in which slowly varying measurements are used to mimic adiabatic evolution. We show that for certain Hamiltonians, which remain frustration-free all along the adiabatic path, the necessary measurements can be implemented through the measurement of random terms from the Hamiltonian. This offers a new, a…
A one-dimensional fermionic system, such as a superconducting wire, may host Majorana zero-energy edge modes (MZMs) at its edges when it is in the topological phase. MZMs provide a path to realising fault-tolerant quantum computation, and so are the focus of intense experimental and theoretical studies. However, given a Hamiltonian, determining whether MZMs exist is a daunting task as it relies on knowing the spectral properties of the Hamiltonian in the thermodynamic limit. The Kitaev chain is a paradigmatic non-interacting model that supports MZMs and the Hamiltonian can be fully diagonalise…
For every Matrix Product State (MPS) one can always construct a so-called parent Hamiltonian. This is a local, frustration free, Hamiltonian which has the MPS as ground state and is gapped. Whenever that parent Hamiltonian has a degenerate ground state (the so-called non-injective case), we construct another 'uncle' Hamiltonian which is local and frustration free but gapless, and its spectrum is $\R^+$. The construction is obtained by linearly perturbing the matrices building up the state in a random direction, and then taking the limit where the perturbation goes to zero. For MPS where the pa…
We prove stability of the spectral gap for gapped, frustration-free Hamiltonians under general, quasi-local perturbations. We present a necessary and sufficient condition for stability, which we call "Local Topological Quantum Order" and show that this condition implies an area law for the entanglement entropy of the groundstate subspace. This result extends previous work by Bravyi et al., on the stability of topological quantum order for Hamiltonians composed of commuting projections with a common zero-energy subspace. We conclude with a list of open problems relevant to spectral gaps and top…
Quantitative semidefinite certificates for ground-state energies of Pauli Hamiltonians
University of Ljubljana, Faculty of Mathematics and Physics（卢布尔雅那大学数学与物理学院）；University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies（沿海大学数学、自然科学和信息技术学院）；Université de Toulouse（图卢兹大学；法国国家科学研究中心劳动力自动化研究与应用实验室）；LAAS-CNRS
A broad range of quantum optimisation problems can be phrased as the question whether a specific system has a ground state at zero energy, i.e.\ whether its Hamiltonian is frustration free. Frustration-free Hamiltonians, in turn, play a central role for constructing and understanding new phases of matter in quantum many-body physics. Unfortunately, determining whether this is the case is known to be a complexity-theoretically intractable problem. This makes it highly desirable to search for efficient heuristics and algorithms in order to, at least, partially answer this question. Here we prove…
The framework of measurement-based quantum computation (MBQC) allows us to view the ground states of local Hamiltonians as potential resources for universal quantum computation. A central goal in this field is to find models with ground states that are universal for MBQC and that are also natural in the sense that they involve only two-body interactions and have a small local Hilbert space dimension. Graph states are the original resource states for MBQC, and while it is not possible to obtain graph states as exact ground states of two-body Hamiltonians here we construct two-body frustration-f…
Topological Orders from Reflection Positive Frustration-free Hamiltonians
Yau Mathematical Sciences Center, Tsinghua University（丘成桐数学科学中心）；Department of Mathematics, Tsinghua University（清华大学数学系）；Yanqi Lake Beijing Institute of Mathematical Sciences and Applications（北京雁栖湖应用数学研究院）
It is commonly believed that models defined on a closed one-dimensional manifold cannot give rise to topological order. Here we construct frustration-free Hamiltonians which possess both symmetry protected topological order (SPT) on the open chain {\it and} multiple ground state degeneracy (GSD) that is unrelated to global symmetry breaking on the closed chain. Instead of global symmetry breaking, there exists a {\it local} symmetry operator that commutes with the Hamiltonian and connects the multiple ground states, reminiscent of how the topologically distinct ground states of the toric code …
Providing system-size independent lower bounds on the spectral gap of local Hamiltonian is in general a hard problem. For the case of finite-range, frustration free Hamiltonians on a spin lattice of arbitrary dimension, we show that a property of the ground state space is sufficient to obtain such a bound. We furthermore show that such a condition is necessary and equivalent to a constant spectral gap. Thanks to this equivalence, we can prove that for gapless models in any dimension, the spectral gap on regions of diameter $n$ is at most $o\left(\frac{\log(n)^{2+ε}}{n}\right)$ for any positive…
We consider the computational complexity of Hamiltonians which are sums of commuting terms acting on plaquettes in a square lattice of qubits, and we show that deciding whether the ground state minimizes the energy of each local term individually is in the complexity class NP. That is, if the ground states has this property, this can be proven using a classical certificate which can be efficiently verified on a classical computer. Different to previous results on commuting Hamiltonians, our certificate proves the existence of such a state without giving instructions on how to prepare it.
A frustration-free local Hamiltonian has the property that its ground state minimises the energy of all local terms simultaneously. In general, even deciding whether a Hamiltonian is frustration-free is a hard task, as it is closely related to the QMA1-complete quantum satisfiability problem (QSAT) -- the quantum analogue of SAT, which is the archetypal NP-complete problem in classical computer science. This connection shows that the frustration-free property is not only relevant to physics but also to computer science. The Quantum Lovász Local Lemma (QLLL) provides a sufficient condition for …
Atypical eigenstates in the form of quantum scars and fragmentation of Hilbert space due to conservation laws provide obstructions to thermalization in the absence of disorder. In certain models with dipole and $U(1)$ conservation, the fragmentation results in subdiffusive transport. In this paper we study the interplay between scarring and weak fragmentation giving rise to anomalous hydrodynamics in a class of one-dimensional spin-$1$ frustration-free projector Hamiltonians, known as deformed Motzkin chain. The ground states and low-lying excitations of these chains exhibit large entanglement…
A Hamiltonian-Level Certificate for Network-Free Distributed Quantum Simulation:Exact Tensor-Separability Criterion and Approximate Residual Bounds
College of Mathematics, Taiyuan University of Technology（太原理工大学数学学院）；Pawsey Supercomputing Research Centre（Pawsey超级计算研究中心）；School of Physics, Mathematics and Computing, The University of Western Australia（西澳大学物理、数学与计算学院）
Recent results have shown the stability of frustration-free Hamiltonians to weak local perturbations, assuming several conditions. In this paper, we prove the stability of free fermion Hamiltonians which are gapped and local. These free fermion Hamiltonians are not necessarily frustration-free, but we are able to adapt previous work to prove stability. The key idea is to add an additional copy of the system to cancel topological obstructions. We comment on applications to quantization of Hall conductance in such systems.
We propose an efficient algorithm for the ground state of frustration-free one-dimensional gapped Hamiltonians. This algorithm is much simpler than the original one by Landau et al., and thus may be easily accessible to a general audience in the community. We present all the details in two pages.
Hastings established exponential decay of correlations for ground states of gapped quantum many-body systems. A ground state of a (geometrically) local Hamiltonian with spectral gap $ε$ has correlation length $ξ$ upper bounded as $ξ=O(1/ε)$. In general this bound cannot be improved. Here we study the scaling of the correlation length as a function of the spectral gap in frustration-free local Hamiltonians, and we prove a tight bound $ξ=O(1/\sqrtε)$ in this setting. This highlights a fundamental difference between frustration-free and frustrated systems near criticality. The result is obtained …
Searches for possible new quantum phases and classifications of quantum phases have been central problems in physics. Yet, they are indeed challenging problems due to the computational difficulties in analyzing quantum many-body systems and the lack of a general framework for classifications. While frustration-free Hamiltonians, which appear as fixed point Hamiltonians of renormalization group transformations, may serve as representatives of quantum phases, it is still difficult to analyze and classify quantum phases of arbitrary frustration-free Hamiltonians exhaustively. Here, we address the…
We consider random translation-invariant frustration-free quantum spin Hamiltonians on $\mathbb Z^D$ in which the nearest-neighbor interaction in every direction is randomly sampled and then distributed across the lattice. Our main result is that, under a small rank constraint, the Hamiltonians are automatically frustration-free and they are gapped with a positive probability. This extends previous results on 1D spin chains to all dimensions. The argument additionally controls the local gap. As an application, we obtain a 2D area law for a cut-dependent ground state via recent AGSP methods of …
We prove that the entanglement entropy of the ground state of a locally gapped frustration-free 2D lattice spin system satisfies an area law with respect to a vertical bipartition of the lattice into left and right regions. We first establish that the ground state projector of any locally gapped frustration-free 1D spin system can be approximated to within error $ε$ by a degree $O(\sqrt{n\log(ε^{-1})})$ multivariate polynomial in the interaction terms of the Hamiltonian. This generalizes the optimal bound on the approximate degree of the boolean AND function, which corresponds to the special c…
Frustration in quantum many body systems is quantified by the degree of incompatibility between the local and global orders associated, respectively, to the ground states of the local interaction terms and the global ground state of the total many-body Hamiltonian. This universal measure is bounded from below by the ground-state bipartite block entanglement. For many-body Hamiltonians that are sums of two-body interaction terms, a further inequality relates quantum frustration to the pairwise entanglement between the constituents of the local interaction terms. This additional bound is a conse…
We prove that uniformly small short-range perturbations do not close the bulk gap above the ground state of frustration-free quantum spin systems that satisfy a standard local topological quantum order condition. In contrast with earlier results, we do not require a positive lower bound for finite-system Hamiltonians uniform in the system size. To obtain this result, we adapt the Bravyi-Hastings-Michalakis strategy to the GNS representation of the infinite-system ground state.
We identify a large class of quantum many-body systems that can be solved exactly: natural frustration-free spin-1/2 nearest-neighbor Hamiltonians on arbitrary lattices. We show that the entire ground state manifold of such models can be found exactly by a tensor network of isometries acting on a space locally isomorphic to the symmetric subspace. Thus, for this wide class of models real-space renormalization can be made exact. Our findings also imply that every such frustration-free spin model satisfies an area law for the entanglement entropy of the ground state, establishing a novel large c…
We present a general scheme for the study of frustration in quantum systems. We introduce a universal measure of frustration for arbitrary quantum systems and we relate it to a class of entanglement monotones via an exact inequality. If all the (pure) ground states of a given Hamiltonian saturate the inequality, then the system is said to be inequality saturating. We introduce sufficient conditions for a quantum spin system to be inequality saturating and confirm them with extensive numerical tests. These conditions provide a generalization to the quantum domain of the Toulouse criteria for cl…
A large number of problems in science can be solved by preparing a specific eigenstate of some Hamiltonian H. The generic cost of quantum algorithms for these problems is determined by the inverse spectral gap of H for that eigenstate and the cost of evolving with H for some fixed time. The goal of spectral gap amplification is to construct a Hamiltonian H' with the same eigenstate as H but a bigger spectral gap, requiring that constant-time evolutions with H' and H are implemented with nearly the same cost. We show that a quadratic spectral gap amplification is possible when H satisfies a fru…
Geometrical frustration, power law tunneling and non-local gauge fields from scattered light
ICFO - Institut de Ciències Fotòniques, The Barcelona Institute of Science and Technology（ICFO - 光子科学研究院，巴塞罗那科学技术研究所）；Institute for Condensed Matter Physics and Complex Systems, DISAT, Politecnico di Torino（都灵理工大学DISAT凝聚态物理与复杂系统研究所）；ICREA（加泰罗尼亚高级研究局）
Let $H$ be a frustration-free Hamiltonian describing a 2D grid of qudits with local interactions, a unique ground state, and local spectral gap lower bounded by a positive constant. For any bipartition defined by a vertical cut of length $L$ running from top to bottom of the grid, we prove that the corresponding entanglement entropy of the ground state of $H$ is upper bounded by $\tilde{O}(L^{5/3})$. For the special case of a 1D chain, our result provides a new area law which improves upon prior work, in terms of the scaling with qudit dimension and spectral gap. In addition, for any bipartiti…
Institute for Solid State Physics, University of Tokyo（东京大学固体物理研究所）；Department of Physics, Hong Kong University of Science and Technology（香港科技大学物理系）；RIKEN Center for Interdisciplinary Theoretical and Mathematical Sciences (iTHEMS), RIKEN（理化学研究所跨学科理论与数学科学中心（iTHEMS））；Department of Applied Physics, The University of Tokyo（东京大学应用物理系）；Center for Theoretical Condensed Matter Physics, Hong Kong University of Science and Technology（香港科技大学理论凝聚态物理中心）
We propose a photonic quantum simulator for anti-ferromagnetic spin systems based on reservoir engineering. We consider a scheme where quadratically driven dissipative Kerr cavities are indirectly coupled via lossy ancillary cavities. We show that the ancillary cavities can produce an effective dissipative and Hamiltonian anti-ferromagnetic-like coupling between the cavities. By solving the master equation for a triangular cavity configuration, we demonstrate that the non-equilibrium steady state of the system bears full analogy with the ground state of an antiferromagnetic Ising model, exhibi…
Bridging Frustration and Non-Hermiticity via COMPASS: An Adaptive Biorthogonal Neural Quantum State Framework
Max Planck Institute for the Science of Light（马克斯·普朗克光科学研究所）；Friedrich-Alexander-Universität Erlangen-Nürnberg（埃尔朗根-纽伦堡大学）；University of Waterloo（滑铁卢大学）；Vector Institute（向量研究所）
Graph Theoretic Approach to Quantum Nonstabilizerness
Instituut-Lorentz, Universiteit Leiden（莱顿大学洛伦兹研究所）；Applied Quantum Algorithms, Leiden University（莱顿大学应用量子算法）；Centre for Quantum Technologies, National University of Singapore（新加坡国立大学量子技术中心）；The Hong Kong University of Science and Technology（香港科技大学）；Dipartimento di Fisica e Astronomia “G. Galilei”, Università di Padova（帕多瓦大学伽利略物理与天文系）；Padua Quantum Technologies Research Center, Università degli Studi di Padova（帕多瓦大学帕多瓦量子技术研究中心）
We investigate under which conditions a mixed state on a finite-dimensional multipartite quantum system may be the unique, globally stable fixed point of frustration-free semigroup dynamics subject to specified quasi-locality constraints. Our central result is a linear-algebraic necessary and sufficient condition for a generic (full-rank) target state to be frustration-free quasi-locally stabilizable, along with an explicit procedure for constructing Markovian dynamics that achieve stabilization. If the target state is not full-rank, we establish sufficiency under an additional condition, whic…
Knabe's theorem lower bounds the spectral gap of a one dimensional frustration-free local hamiltonian in terms of the local spectral gaps of finite regions. It also provides a local spectral gap threshold for hamiltonians that are gapless in the thermodynamic limit, showing that the local spectral gap much scale inverse linearly with the length of the region for such systems. Recent works have further improved upon this threshold, tightening it in the one dimensional case and extending it to higher dimensions. Here, we show a local spectral gap threshold for frustration-free hamiltonians on a …
We study the structure of the ground states of local stoquastic Hamiltonians and show that under mild assumptions the following distributions can efficiently approximate one another: (a) distributions arising from ground states of stoquastic Hamiltonians, (b) distributions arising from ground states of stoquastic frustration-free Hamiltonians, (c) Gibbs distributions of local classical Hamiltonian, and (d) distributions represented by real-valued Deep Boltzmann machines. In addition, we highlight regimes where it is possible to efficiently classically sample from the above distributions.
