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Samuel Yen-Chi Chen

Publications and source records attributed to Samuel Yen-Chi Chen.

At least 19 recordsLinked to original sources

Variational Quantum Attention for Molecular Graph Learning

Molecular property prediction is central to computational drug discovery, where graph neural networks learn to weight neighboring atomic environments during message passing. Yet it remains unclear how variational quantum circuits alter learned attention behavior in molecular graphs. We introduce an edge-aware variational quantum attention mechanism for molecular graph learning, in which the receiving atom, neighboring atom, and connecting bond jointly determine the quantum attention state. Across five molecular property and bioactivity prediction tasks, QGAT achieves competitive performance relative to GATv2, with a consistent improvement on BBBP across all six evaluated circuit ansatzes. We further compare how the quantum and classical attention scores weight molecular structure beyond accuracy. In the Verubecestat BACE1 inhibitor series, QGAT achieves a higher Spearman correlation than GATv2 and assigns positive attributions to several structural changes consistent with reported structure-activity relationships (SARs). This case study shows that the two attention mechanisms can exhibit different prediction and attribution behavior across structurally related BACE1 analogues, while broader validation is required to determine how consistently these differences generalize across chemical series and targets. Circuit ablations further show that performance depends on the circuit design. Together, these results show that variational quantum attention can serve as a viable alternative molecular attention parameterization while inducing circuit- and chemistry-dependent behavior distinct from a matched classical scorer.

quant-ph↗

vFedProtoQNAS: Prototype-Guided Personalized Quantum Neural Architecture Search for Virtual Federated Learning

Quantum federated learning (QFL) has emerged as a promising approach for collaboratively training compact quantum neural networks (QNNs) over distributed private data on resource-constrained devices. However, differences in device capabilities make a single shared QNN architecture unsuitable for all clients. While personalized quantum neural architecture search (QNAS) allows each client to select a device-specific QNN, averaging parameters across structurally different QNN architectures mixes semantically inconsistent circuit operations. To address this, prototype-guided personalized QNAS for virtual FL (vFedProtoQNAS) is proposed, where model parameters are never aggregated across clients and federated collaboration is achieved through class-wise prototype sharing. Each client independently searches and trains a client-specific QNN, computes class-wise local prototypes from latent representations, and refines them using global prototypes from the server as federated semantic anchors. Experiments demonstrate that vFedProtoQNAS improves accuracy by 3.70\% over FedAvg and enhances class-consistent representation alignment.

cs.AI↗

Scalable Quantum Machine Learning via Multi-layer Fully-Connected Variational Quantum Circuits

Variational quantum circuits (VQCs) face an expressivity-trainability dilemma and scalability challenges. We propose Multi-Layer Fully-Connected Variational Quantum Circuits (FC-VQC), a general-purpose quantum machine learning framework that connects local VQC blocks through measurement, deterministic parameter-free routing, and re-encoding. All trainable model parameters reside within the quantum blocks, without trainable classical neural components. We study fully connected, sliding-window, and parallel block mixing and analyze computational costs, conditional error propagation, and block information exchange. Using classical simulation, we evaluate tabular regression and classification, with our main comparison addressing spatio-temporal function approximation for the Black--Scholes, Burgers, and time-dependent oscillatory PDEs with up to $144$ spatial dimensions. Comparisons include neural-network, explicit angle-feature, tensor-network, and gradient-boosted-tree baselines. The results show that FC-VQC achieves the lowest trajectory relative MAE for all PDEs at the higher dimensions $d\in\{81,144\}$. Gradient-dynamics and depolarizing-noise experiments provide complementary empirical diagnostics of trainability and preliminary noise sensitivity.

quant-ph↗

Quantum Hierarchical Reinforcement Learning via Variational Quantum Circuits

While parameterized quantum computations have shown success in standard reinforcement learning (RL), whether these advantages adapt to hierarchical RL (HRL) remains a critical open question. This work demonstrates that variational quantum circuits (VQCs) can effectively enhance HRL agents based on the option-critic architecture. Evaluated in standard environments, a hybrid HRL agent with a quantum feature extractor outperforms classical baselines while using fewer parameters. We also identify an architectural bottleneck: using VQCs for option-value estimation severely degrades learning. Further ablations reveal how quantum circuit design affects performance. Our work establishes design principles for parameter-efficient hybrid HRL agents.

cs.LG↗

Recursive Quantum Long Short-Term Memory for Stable Short-Horizon Temperature Forecasting

Quantum long short-term memory (QLSTM) models extend recurrent sequence learning with variational quantum circuits, but their optimization behavior can vary substantially across random initializations and temporal contexts. This paper evaluates a recursive QLSTM architecture against a standard QLSTM for one-step-ahead prediction of daily minimum and maximum temperature. Using daily weather observations from Toronto and identical training settings, we compare convergence, predictive accuracy, and generalization across input windows of 8, 16, and 32 days over 20 random seeds. The recursive model consistently reaches a near-optimal test loss earlier, reduces mean absolute error and root mean squared error, and exhibits a smaller generalization gap. These results indicate that recursive quantum feature transformations can improve stability and out-of-sample performance for compact hybrid quantum--classical temporal models.

cs.LG↗

Learning to Program Adaptive Non-Local Observables for Machine Learning

Quantum neural networks (QNNs) are typically built from variational quantum circuits (VQCs), which are limited by local measurements. Adaptive non-local observables (ANO) address this by jointly optimizing circuit parameters and multi-qubit measurements. However, existing ANO-based VQCs learn only a single static observable that remains invariant across all inputs. We propose QFWP-ANO, a novel architecture which employs a classical hypernetwork to dynamically program VQC parameters and/or non-local observables conditioned on each input. On multivariate time-series forecasting across four ETT datasets, QFWP-ANO achieves the lowest MSE in 16 of 20 settings and second-lowest in the remaining four, surpassing ANO-based and other strong baselines. On reinforcement learning tasks, QFWP-ANO consistently surpasses ANO-VQCs. Our results establish input-conditioned ANO as an effective approach for enhancing QNNs.

cs.LG↗

Conditional Quantum Flow Matching for Data-Scarce Physiological Signal Augmentation

Generative augmentation is a standard remedy for label scarcity in physiological signal classification, but existing quantum generative models start from uninformative noise, ignoring class structure that is already available. We propose Conditional Quantum Flow Matching (CQFM): a single 306-parameter circuit, conditioned on both flow time and class label, transports a compact class-conditional prior toward the target distribution. Quantum flow matching as published is unconditional, so this is to our knowledge the first conditional one, and the first EEG augmentation on a parameterized quantum circuit. A nonnegative spectral embedding removes the need for tomography at readout. On BCI Competition IV-2a, starting from a prior rather than noise is worth $+5.1$ accuracy points over QuDDPM (9/9 subjects), though at that operating point a class-conditional Gaussian matches CQFM. Where the prior fails the transport earns its keep: given one transferred from other subjects it regains $+7.2$ TSTR points (9/9).

quant-ph↗

Titans-QFWP: A Regime-Aware Hybrid Quantum Fast Weight Programmer for Portfolio Optimization

We propose Titans-QFWP, a hybrid reinforcement learning architecture integrating a Quantum Fast Weight Programmer with Titans-style memory (Persistence, Surprise, and Forgetting) for adaptive portfolio optimization. To address high-dimensional market features, we introduce an enhanced A3C^2 framework with Hungarian-aligned K-means clustering and scaled log-return rewards. Evaluated on 468 S&P 500 stocks under an Equal-Parameter-Count (EPC) benchmark with approximately 3,000 trainable parameters, Titans-QFWP achieves strong performance (median ARR 0.4260, Calmar 8.5504, IR 0.8427). Ablation results reveal that quantum gating fundamentally reshapes memory component roles, with Persistence supporting drawdown control, Surprise contributing to return generation, and Forgetting providing additional stabilization. By stabilizing these quantum representations, the model enables defensive allocation during market drawdowns while preserving upside potential.

cs.LG↗

Hybrid Quantum-inspired Kolmogorov-Arnold Networks for Privacy-Aware Federated Biosignal Learning

Electrocardiogram (ECG) recordings are sensitive biomedical data, limiting the ability of hospitals and wearable devices to share raw signals for centralized model training. Federated learning addresses this practical privacy constraint by enabling collaborative model training while keeping raw biosignal data at their respective sources. However, federated ECG classification remains challenging due to limited client-side samples, imbalanced arrhythmia labels, and non-independent and identically distributed (non-IID) data across clients. These constraints require classifiers that are both communication-efficient and robust to cross-client distribution shifts. In this work, we evaluate a hybrid quantum-inspired Kolmogorov-Arnold network (HQKAN) against a multilayer perceptron (MLP) for five-class arrhythmia classification on the MIT-BIH dataset and three-class classification on the INCART dataset under federated averaging (FedAvg). Across multiple client configurations, HQKAN improves most aggregate and minority-class metrics while using 37.35% fewer trainable parameters and reducing communication cost by 24.89% on MIT-BIH; on INCART, it achieves corresponding reductions of 44.81% and 36.41%. These results indicate that HQKAN offers a compact, communication-efficient and robust alternative to the MLP baseline for privacy-aware federated learning on biosignal data.

cs.LG↗

Architecture-Aware Reinforcement Learning for Communication-Efficient Distributed Quantum Circuit Compilation

Distributed quantum computing provides a scalable route for executing quantum circuits beyond the capacity limits of a single quantum processing unit (QPU), but it introduces a communication-aware compilation problem involving strict hardware constraints and circuit dependencies. This paper presents an architecture-aware reinforcement-learning framework that formulates distributed quantum compilation as a constrained Markov Decision Process (MDP). The compiler-level communication actions dynamically update logical-qubit placement and enable subsequent gate execution. A heterogeneous graph model represents interactions among hardware, logical qubits, and circuit operations, while a policy trained via Proximal Policy Optimization optimizes EPR-pair consumption and communication makespan. Evaluation across benchmark circuits shows that our policy matches state-of-the-art heuristics on structured workloads, with lookahead reward shaping yielding modest improvements on unstructured circuits. These results demonstrate that reinforcement learning is a flexible alternative to manual heuristics, though scalability remains a key bottleneck for practical use.

quant-ph↗

Complementary Matrix-Gated QKAN Fast-Weight Programmers for Quantum Dynamics Forecasting

Sequence models must decide what to write into memory and what to retain. In quantum and quantum-inspired sequence learning, nonlinear recurrent updates often require repeated circuit evaluations and sequential backpropagation through time, making long contexts costly. Gated fast-weight programmers (FWPs) based on quantum-inspired Kolmogorov-Arnold networks (QKANs) alleviate this bottleneck by storing context in time-varying fast parameters. However, their scalar gate applies one retention-write balance to every fast-state coordinate, forcing all parameters to share a memory timescale. We introduce Self-Modulating QKAN-based FWPs, which replace this broadcast gate with low-rank-generated element-wise modulation of the new-proposal branch, a bounded old-state branch, or both. We further propose Complementary Matrix Gating (CMG), which uses one sigmoid matrix gate to retain the old state and its complement to write the new proposal. CMG provides coordinate-wise memory control while preserving the bounded convex update and affine prefix-scan structure of scalar gating, at the modulation-head cost of a single-branch rule. We compare four self-modulating rules with scalar gating across four FWP architectures combining classical and QKAN-based slow and fast programmers. Across seven single-step forecasting benchmarks and five sequence lengths, CMG gives the most consistent improvements for architectures whose fast programmer incorporates a QKAN-based module. In direct multi-step forecasting of Jaynes-Cummings and transmon-resonator dynamics simulated with CUDA-Q Dynamics, CMG models maintain mean-squared errors on the order of 0.001 or lower across forecasting horizons of 4, 8, and 16 steps, while improving on their scalar-gated counterparts by at least 91.2%. These results establish coordinate-wise complementary modulation as a stable and effective update for QKAN-based FWPs.

quant-ph↗

Quasi-polar Decomposition of Quantum Neural Networks via Adaptive Non-local Observables

We use Diagonal Adaptive Non-local Observables (DANO) as a canonical decomposition for studying Variational Quantum Circuit model evolution. Separating each learned observable into a diagonal spectrum and a unitary basis gives a quasi-polar description: the spectral weights are viewed as radial coordinates, while the unitary circuit serves as angular coordinates through Lie group identifications. This turns the training process into a trajectory in spectral and Lie-algebra space. Experiments on two classification tasks show that DANO radial spectral expansion correlates with accuracy. DANO angle coordinates reveal a dominant accuracy-correlated component. The framework provides a different perspective to characterize quantum model behavior.

quant-ph↗

Multivariate Time Series Forecasting with Adaptive Non-Local Observables

Multivariate time series forecasting (MTSF) predicts future values of multiple variables from historical data. While quantum neural networks have been increasingly applied to this task, they typically rely on fixed local measurements, which restrict their expressivity. We propose MTSF-ANO, a simple hybrid model for MTSF that integrates variational quantum circuits with adaptive non-local observables (ANO). On the four ETT datasets, MTSF-ANO ranks first or second in MSE in 17 of 20 settings, improving over the strongest baseline by up to 20% on ETTh1, and outperforms or matches its fixed local observable counterpart across all settings. Our ablations show how the quantum circuit design and ANO non-locality affect performance. These results suggest that ANO is a promising direction for quantum time series forecasting.

quant-ph↗

Observable Geometry for Effective Quantum Circuits

We study redundancy and effectiveness of Variational Quantum Circuits via algebraic and geometric views of Lie groups. Considering unitary transformations acting on Hermitian observables, a stabilizer group decomposition is given. Subsequently, we identify the Hermitian orbit with a quotient space of a symmetric space. Through this connection, we characterize the effective circuit degrees of freedom. Our approach of spectral decompositions and homogeneous spaces yields tractable calculation criteria, which are verified by numerical experiments.

quant-ph↗

Stable Self-Modulating Quantum Fast-Weight Programmers with Bounded Memory Gates

Quantum Fast-Weight Programmers (QFWPs) store temporal information in dynamically programmed variational-circuit parameters rather than in nonlinear recurrent hidden states, offering a practical route to quantum sequence modeling. Self-Modulating QFWP improves this framework by using input-dependent gates for both new fast-weight updates and the accumulated fast-weight state, but its unbounded old-state multiplier can diverge in long-sequence regimes. We propose a bounded old-state modulation rule that applies a sign-preserving tanh gate only to the recurrent memory branch while leaving the additive update and new-update modulation unchanged. We evaluate standard QFWP, full Self-Modulating QFWP, Only-New, and Only-Old variants on two CUDA-Q quantum-dynamics forecasting tasks and on Milan SMS telecommunication activity prediction. The quantum-dynamics results show that old-state modulation is the most consistent source of improvement over Standard QFWP, and that bounding the old-state gate removes long-sequence divergence while improving aggregate robustness. On Milan SMS forecasting, the original unbounded Self-Modulating QFWP converges across the tested grid and shows its clearest gains at longer input windows, with behavior close to the Only-Old ablation. These findings identify accumulated-memory modulation as the key mechanism of Self-Modulating QFWP and bounded old-state gating as a targeted stabilization strategy.

quant-ph↗

Parameter-Efficient Quantum-Inspired Fast Weight Programmers for Traffic-Matrix Forecasting

Traffic matrices (TMs) capture network-wide origin-destination demand and are central to traffic engineering, yet accurate whole-matrix forecasting remains challenging when prediction must be performed under the memory, update, and training-budget constraints of online network control. This paper investigates whether compact quantum-inspired recurrent models can provide effective TM forecasts without relying on dedicated graph, transformer, or diffusion modules. We adapt gated quantum-inspired Kolmogorov-Arnold network fast-weight programmers (QKAN-FWPs) to direct multi-step Abilene TM forecasting, where each model predicts the next 20 five-minute frames of a 144-channel origin-destination (OD) matrix from a two-hour history. We benchmark three QKAN placement variants against a matched-size long short-term memory (LSTM) network, a larger LSTM, and a classical gated fast-weight programmer under a shared fixed-budget training protocol. Among the evaluated recurrent models, G-QKANFWP achieves the best pooled root-mean-square error (RMSE), while using only 22.4% of the larger LSTM. It also outperforms both the matched-size LSTM and the classical G-FWP baseline, indicating that the gain is not due to gated fast-weight framework alone. Convergence and channel-wise analyses further show that the quantum-inspired variants obtain lower validation-loss area under the learning curve (AULC) than matched-size recurrent baselines, while G-QKANFWP and GQKAN-FWP achieve substantially more OD-channel wins. These results identify a classical slow programmer with a quantum-inspired fast programmer as a promising accuracy-efficiency design for resource-conscious network traffic-matrix forecasting.

quant-ph↗

Recursive QLSTM with Dynamic Variational Quantum Circuit Adaptation

Recent advances in quantum computing and machine learning have motivated the development of quantum models for sequential data processing. In this paper, we propose a Recursive Quantum Long Short-Term Memory model, or Recursive QLSTM, which extends QLSTM through metacore-based recursive constructions. We numerically test the model under different input sequence lengths, metacore designs, and recursive rules, and identify the best-performing architecture among these variants. For this selected model, we further provide theoretical arguments explaining why its recursive structure improves temporal information propagation and enhances learning performance. Our results suggest that Recursive QLSTM offers a flexible and effective framework for quantum recurrent learning over input time series of various lengths.

quant-ph↗

Self-Modulating Quantum Fast-Weight Programmers for Efficient Adaptive Sequential Learning

Recent advances in quantum machine learning have motivated efficient models for sequential data processing. In this paper, we propose Self-Modulating Quantum Fast Weight Programmers, or Self-Modulating QFWP, which extends Quantum Fast Weight Programmers by introducing adaptive modulation over both newly generated fast-weight updates and historical fast-weight memory. Numerical results show that the proposed mechanism improves convergence stability and prediction performance across varying model settings, including different numbers of qubits and input sequence lengths. We further provide theoretical arguments explaining how self-modulation balances new information injection with memory retention, thereby enhancing temporal information propagation. These results suggest that Self-Modulating QFWP is a compact and effective framework for quantum machine learning on time-series data.

quant-ph↗