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Researcher profile

Hsi-Sheng Goan

Hsi-Sheng Goan contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
quant-phArtificial IntelligenceMachine Learningcond-mat.mes-hallcond-mat.mtrl-scicond-mat.stat-mechEmerging TechnologiesNeural and Evolutionary Computingphysics.atom-phphysics.chem-ph

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Published work

8 published item(s)

preprint2026arXiv

Gated QKAN-FWP: Scalable Quantum-inspired Sequence Learning

Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Accurate and Efficient Quantum Computations of Molecular Properties Using Daubechies Wavelet Molecular Orbitals: A Benchmark Study against Experimental Data

Although quantum computation (QC) is regarded as a promising numerical method for computational quantum chemistry, current applications of quantum-chemistry calculations on quantum computers are limited to small molecules. This limitation can be ascribed to technical problems in building and manipulating more qubits and the associated complicated operations of quantum gates in a quantum circuit when the size of the molecular system becomes large. As a result, reducing the number of required qubits is necessary to make QC practical. Currently, the minimal STO-3G basis set is commonly used in benchmark studies because it requires the minimum number of spin orbitals. Nonetheless, the accuracy of using STO-3G is generally low and thus cannot provide useful predictions. We propose to adopt Daubechies wavelet functions as an accurate and efficient method for QCs of molecular electronic properties. We demonstrate that a minimal basis set constructed from Daubechies wavelet basis can yield accurate results through a better description of the molecular Hamiltonian, while keeping the number of spin orbitals minimal. With the improved Hamiltonian through Daubechies wavelets, we calculate vibrational frequencies for H$_2$ and LiH using quantum-computing algorithm to show that the results are in excellent agreement with experimental data. As a result, we achieve quantum calculations in which accuracy is comparable with that of the full configuration interaction calculation using the cc-pVDZ basis set, whereas the computational cost is the same as that of a STO-3G calculation. Thus, our work provides a more efficient and accurate representation of the molecular Hamiltonian for efficient QCs of molecular systems, and for the first time demonstrates that predictions in agreement with experimental measurements are possible to be achieved with quantum resources available in near-term quantum computers.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Hybrid Gate-Based and Annealing Quantum Computing for Large-Size Ising Problems

One of the major problems of most quantum computing applications is that the required number of qubits to solve a practical problem is much larger than that of today's quantum hardware. We propose an algorithm, called large-system sampling approximation (LSSA), to solve Ising problems with sizes up to $N_{\rm{gb}}2^{N_{\rm{gb}}}$ by an $N_{\rm{gb}}$-qubit gate-based quantum computer, and with sizes up to $N_{\rm{an}}2^{N_{\rm{gb}}}$ by a hybrid computational architecture of an $N_{\rm{an}}$-qubit quantum annealer and an $N_{\rm{gb}}$-qubit gate-based quantum computer. By dividing the full-system problem into smaller subsystem problems, the LSSA algorithm then solves the subsystem problems by either gate-based quantum computers or quantum annealers, optimizes the amplitude contributions of the solutions of the different subsystems with the full-problem Hamiltonian by the variational quantum eigensolver (VQE) on a gate-based quantum computer, and determines the approximated ground-state configuration. We apply the level-1 approximation of LSSA to solving fully-connected random Ising problems up to 160 variables using a 5-qubit gate-based quantum computer, and solving portfolio optimization problems up to 4096 variables using a 100-qubit quantum annealer and a 7-qubit gate-based quantum computer. We demonstrate the use of the level-2 approximation of LSSA to solve the portfolio optimization problems up to 5120 ($N_{\rm{gb}}2^{2N_{\rm{gb}}}$) variables with pretty good performance by using just a 5-qubit ($N_{\rm{gb}}$-qubit) gate-based quantum computer. The completely new computational concept of the hybrid gate-based and annealing quantum computing architecture opens a promising possibility to investigate large-size Ising problems and combinatorial optimization problems, making practical applications by quantum computing possible in the near future.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Qubit-efficient encoding scheme for quantum simulations of electronic structure

Simulating electronic structure on a quantum computer requires encoding of fermionic systems onto qubits. Common encoding methods transform a fermionic system of $N$ spin-orbitals into an $N$-qubit system, but many of the fermionic configurations do not respect the required conditions and symmetries of the system so the qubit Hilbert space in this case may have unphysical states and thus can not be fully utilized. We propose a generalized qubit-efficient encoding (QEE) scheme that requires the qubit number to be only logarithmic in the number of configurations that satisfy the required conditions and symmetries. For the case of considering only the particle-conserving and singlet configurations, we reduce the qubit count to an upper bound of $\mathcal O(m\log_2N)$, where $m$ is the number of particles. This QEE scheme is demonstrated on an H$_2$ molecule in the 6-31G basis set and a LiH molecule in the STO-3G basis set using fewer qubits than the common encoding methods. We calculate the ground-state energy surfaces using a variational quantum eigensolver algorithm with a hardware-efficient ansatz circuit. We choose to use a hardware-efficient ansatz since most of the Hilbert space in our scheme is spanned by desired configurations so a heuristic search for an eigenstate is sensible. The simulations are performed on IBM Quantum machines and the Qiskit simulator with a noise model implemented from a IBM Quantum machine. Using the methods of measurement error mitigation and error-free linear extrapolation, we demonstrate that most of the distributions of the extrapolated energies using our QEE scheme agree with the exact results obtained by Hamiltonian diagonalization in the given basis sets within chemical accuracy. Our proposed scheme and results show the feasibility of quantum simulations for larger molecular systems in the noisy intermediate-scale quantum (NISQ) era.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Unentangled quantum reinforcement learning agents in the OpenAI Gym

Classical reinforcement learning (RL) has generated excellent results in different regions; however, its sample inefficiency remains a critical issue. In this paper, we provide concrete numerical evidence that the sample efficiency (the speed of convergence) of quantum RL could be better than that of classical RL, and for achieving comparable learning performance, quantum RL could use much (at least one order of magnitude) fewer trainable parameters than classical RL. Specifically, we employ the popular benchmarking environments of RL in the OpenAI Gym, and show that our quantum RL agent converges faster than classical fully-connected neural networks (FCNs) in the tasks of CartPole and Acrobot under the same optimization process. We also successfully train the first quantum RL agent that can complete the task of LunarLander in the OpenAI Gym. Our quantum RL agent only requires a single-qubit-based variational quantum circuit without entangling gates, followed by a classical neural network (NN) to post-process the measurement output. Finally, we could accomplish the aforementioned tasks on the real IBM quantum machines. To the best of our knowledge, none of the earlier quantum RL agents could do that.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Variational Quantum Reinforcement Learning via Evolutionary Optimization

Recent advance in classical reinforcement learning (RL) and quantum computation (QC) points to a promising direction of performing RL on a quantum computer. However, potential applications in quantum RL are limited by the number of qubits available in the modern quantum devices. Here we present two frameworks of deep quantum RL tasks using a gradient-free evolution optimization: First, we apply the amplitude encoding scheme to the Cart-Pole problem; Second, we propose a hybrid framework where the quantum RL agents are equipped with hybrid tensor network-variational quantum circuit (TN-VQC) architecture to handle inputs with dimensions exceeding the number of qubits. This allows us to perform quantum RL on the MiniGrid environment with 147-dimensional inputs. We demonstrate the quantum advantage of parameter saving using the amplitude encoding. The hybrid TN-VQC architecture provides a natural way to perform efficient compression of the input dimension, enabling further quantum RL applications on noisy intermediate-scale quantum devices.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Full-polaron master equation approach to dynamical steady states of a driven two-level system beyond the weak system-environment coupling

We apply a full-polaron master equation and a weak-coupling non-Markovian master equation to describe the steady-state time-averaged properties of a driven two-level system, an electron coherently tunneling between double quantum dots (DQDs), interacting with a bosonic phonon bath. Comparing the results obtained using these two master equations with those from a recent DQD experiment and its corresponding weak-coupling theoretical method, we find that the original parameter set used in the experiment and theoretical method is not in the weak-coupling parameter regime. By using the full-polaron master equation with a slight adjustment on only the value of the interdot separation in the original experimental parameter set, we find that a reasonable fit to the experimentally measured time-averaged steady-state population data can be achieved. The adjusted interdot separation is within the possible values allowed by the geometry of the surface gates that define the DQD in the experiment. Our full-polaron equation approach does not require the special renormalization scheme employed in their weak-coupling theoretical method, and can still describe the experimental results of driving-induced phonon-enhanced steplike shoulder behaviors in the experiment. This demonstrates that the full-polaron master equation approach is a correct and efficient tool to describe the steady-state properties of a driven spin-boson model in the case of strong system-environment coupling.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Variational Quantum Circuits for Deep Reinforcement Learning

The state-of-the-art machine learning approaches are based on classical von Neumann computing architectures and have been widely used in many industrial and academic domains. With the recent development of quantum computing, researchers and tech-giants have attempted new quantum circuits for machine learning tasks. However, the existing quantum computing platforms are hard to simulate classical deep learning models or problems because of the intractability of deep quantum circuits. Thus, it is necessary to design feasible quantum algorithms for quantum machine learning for noisy intermediate scale quantum (NISQ) devices. This work explores variational quantum circuits for deep reinforcement learning. Specifically, we reshape classical deep reinforcement learning algorithms like experience replay and target network into a representation of variational quantum circuits. Moreover, we use a quantum information encoding scheme to reduce the number of model parameters compared to classical neural networks. To the best of our knowledge, this work is the first proof-of-principle demonstration of variational quantum circuits to approximate the deep $Q$-value function for decision-making and policy-selection reinforcement learning with experience replay and target network. Besides, our variational quantum circuits can be deployed in many near-term NISQ machines.

0 citations0 reviewsNo code linkedOpen access