This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit generation technique. It leads to a gate decomposition and a scaling different from the usual strategy based on a Linear Combination of Unitaries (LCU) reformulation of the problem. It can significantly reduce the quantum circuit number of rotational gates, multi-qubit gates, and the circuit depth. This method leads to one exact Hamiltonian simulation for each summed term and Trotter step. Each of these Hamiltonian simulation unitary matrices also allows the construction of the non-exponential terms with a maximum of six unitary matrices to be Block-encoded.The formalism is easy to apply to the widely studied High-order Unconstrained Binary Optimization (HUBO) problems, fermionic transition Hamiltonian, and basic finite difference method instances. For the HUBO problems, our implementation exponentially reduces the number of gates for high-order cost functions with respect to the HUBO problem order. The individual electronic transitions are implemented without error for the second-quantization Fermionic Hamiltonian. Finite difference proposed matrix decompositions are straightforward, very versatile, and scale as the state-of-the-art proposals.
This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit generation technique. It leads to a gate decomposition and a scaling different from the usual strategy based on a Linear Combination of Unitaries (LCU) reformulation of the problem. It can significantly reduce the quantum circuit number of rotational gates, multi-qubit gates, and the circuit depth. This method leads to one exact Hamiltonian simulation for each summed term and Trotter step. Each of these Hamiltonian simulation unitary matrices also allows the construction of the non-exponential terms with a maximum of six unitary matrices to be Block-encoded.The formalism is easy to apply to the widely studied High-order Unconstrained Binary Optimization (HUBO) problems, fermionic transition Hamiltonian, and basic finite difference method instances. For the HUBO problems, our implementation exponentially reduces the number of gates for high-order cost functions with respect to the HUBO problem order. The individual electronic transitions are implemented without error for the second-quantization Fermionic Hamiltonian. Finite difference proposed matrix decompositions are straightforward, very versatile, and scale as the state-of-the-art proposals.
To process a problem with a Quantum Processing Unit (QPU), it must be transformed into a sequence of quantum operators, or gates. These operators are either packed into a query (i.e. quantum algorithm primitive) that encodes the problem, or used to construct the cost function for Variationnal Quantum Algorithm (VQA). Typical queries are the problem Hamiltonian Simulation (HS) and the problem Block-Encoding (BEing). To construct the circuits associated with the quantum description, the problem must be mapped as a Linear Combination of Hamiltonian (LCH) or a Linear Combination of nitaries (LCU) matrices. All the summed Hamiltonian matrices or unitary matrices must have a known decomposition in basic gates. The complexity of this query should be incorporated into the quantum algorithm's query complexity, thereby limiting the processing possibilities of QPU for many problems. In this work, we propose Hamiltonian matrices used to map the problem of interest, and that behave like a single qubit when expressed in the appropriate basis. It leads to a framework, the Special Tripotent Hamiltonian (STH) Framework, able to implement most of the typical problems considered for quantum computing. These methods address many problems implemented on QPUs, ranging from second-quantization chemistry operators to graphs associated with Partial Differential Equations (PDE), sparse matrices, and higher-order optimization problems. This work underlines interesting properties associated with the STH basic gate decomposition. These include the ability to switch between LCH and LCU, map non-Hermitian problems, and construct the quantum circuit queries required for quantum computing. We also provide a list of STH that are used for the matrix decomposition of many structured matrices. These structured matrices are associated with graph adjacency matrices that can be combined to implement structured matrices.
Simulation of molecular vibrations is emerging as a promising application of quantum computing in quantum chemistry. In this work, we develop new strategies for block-encoding the second-quantized n-mode representation of the vibrational Hamiltonian, whose algebraic structure closely parallels that of the second-quantized electronic Hamiltonian. We derive linear-combination-of-unitaries (LCU) representations of this Hamiltonian based on Pauli decomposition and tensor hypercontraction (THC) and construct efficient circuits for the corresponding block encodings. We also extend the Block-Invariant Symmetry Shift (BLISS) technique to vibrational Hamiltonians, yielding a lower LCU 1-norm and, consequently, a lower overall circuit cost. For the molecules considered here, BLISS-THC reduces the Toffoli cost of quantum phase estimation by more than two orders of magnitude relative to existing block-encoding approaches. In comparison with recent Trotter-based methods, it shows up to a ninefold reduction in the T-gate count, with the relative savings tending to increase with system size. Asymptotically, and up to polylogarithmic factors, both the Pauli and THC LCUs trade additional ancillas for a quadratic improvement in scaling with the number of modes, while THC provides an additional quadratic improvement in scaling with the number of modals. These results highlight the importance of Hamiltonian factorizations and Toffoli-qubit tradeoffs for reducing the computational cost of quantum simulations of molecular vibrations.
One of the most promising applications of quantum computers is solving partial differential equations (PDEs). By using the Schrödingerization technique—which converts nonconservative PDEs into Schrödinger equations—the problem can be reduced to Hamiltonian simulations. The particular class of Hamiltonians we consider is shown to be sufficient for simulating almost any linear PDE. In particular, these Hamiltonians consist of discretizations of polynomial products and sums of position and momentum operators. This paper addresses an important gap by efficiently loading these Hamiltonians into the quantum computer through block-encoding. The construction is explicit and efficient in terms of one- and two-qubit operations, forming a fundamental building block for constructing the unitary evolution operator for that class of Hamiltonians. The proposed algorithm demonstrates a squared logarithmic scaling with respect to the spatial partitioning size, offering a polynomial speedup over classical finite-difference methods in the context of spatial partitioning for solving PDEs. Furthermore, the algorithm is extended to the multidimensional case, achieving an exponential acceleration with respect to the number of dimensions, alleviating the curse of dimensionality problem. This work provides an essential foundation for developing explicit and efficient quantum circuits for PDEs, Hamiltonian simulations, and ground state and thermal state preparation.
Quantum approaches to combinatorial optimization problems (COPs) are often limited by the resource demands of Quadratic Unconstrained Binary Optimization (QUBO) encodings, which enlarge circuits through penalty terms and increase qubit and gate counts. We show that Higher-Order Unconstrained Binary Optimization (HUBO) enables a more resource-efficient formulation. Our method systematically constructs HUBO Hamiltonians and, compared to a QUBO formulation in benchmarks on Gate Assignment (GAP), Maximum k-Colorable Subgraph (MkCS), and Integer Programming (IP) problems, significantly reduces qubit requirements and decreases total CNOT gate counts by at least 89.6% for all tested instances. These results highlight HUBO as a practical alternative for quantum optimization on near-term devices. To promote adoption, we release an open-source Python library that automates HUBO model construction, extends beyond the examples presented in this work, and broadens access to resource-efficient quantum optimization.
In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive application of well-known Trotter formulas, for systems where the evolution is determined by a Hamiltonian with different energy scales (i.e., one part is "large" and another part is "small"). Our algorithms generate a decomposition of the evolution operator into a product of simple unitaries that are directly implementable on a quantum computer. Although the theoretical scaling is suboptimal compared with state-of-the-art algorithms (e.g., quantum signal processing), the performance of the algorithms we propose is highly competitive in practice. We illustrate this via extensive numerical simulations for several models. For instance, in the strong-field regime of the 1D transverse-field Ising model, our algorithms achieve an improvement of one order of magnitude in both the system size and evolution time that can be simulated with a fixed budget of 1000 arbitrary 2-qubit gates, compared with standard Trotter formulas.
Trotter and linear combination of unitary (LCU) operations are two popular Hamiltonian simulation methods. The Trotter method is easy to implement and enjoys good system-size dependence endowed by commutator scaling, while the LCU method admits high-accuracy simulation with a smaller gate cost. We propose Hamiltonian simulation algorithms using LCU to compensate Trotter error, which enjoy both of their advantages. By adding few gates after the K th -order Trotter formula, we realize a better time scaling than 2 K th -order Trotter. Our first algorithm exponentially improves the accuracy scaling of the K th -order Trotter formula. For a generic Hamiltonian, the estimated gate counts of the first algorithm can be 2 orders of magnitude smaller than the best analytical bound of fourth-order Trotter formula. In the second algorithm, we consider the detailed structure of Hamiltonians and construct LCU for Trotter errors with commutator scaling. Consequently, for lattice Hamiltonians, the algorithm enjoys almost linear system-size dependence and quadratically improves the accuracy of the K th -order Trotter. For the lattice system, the second algorithm can achieve 3 to 4 orders of magnitude higher accuracy with the same gate costs as the optimal Trotter algorithm. These algorithms provide an easy-to-implement approach to achieve a low-cost and high-precision Hamiltonian simulation.