QUANT-PHNov 27, 2023
Peptide Binding Classification on Quantum ComputersCharles London, Douglas Brown, Wenduan Xu et al.
We conduct an extensive study on using near-term quantum computers for a task in the domain of computational biology. By constructing quantum models based on parameterised quantum circuits we perform sequence classification on a task relevant to the design of therapeutic proteins, and find competitive performance with classical baselines of similar scale. To study the effect of noise, we run some of the best-performing quantum models with favourable resource requirements on emulators of state-of-the-art noisy quantum processors. We then apply error mitigation methods to improve the signal. We further execute these quantum models on the Quantinuum H1-1 trapped-ion quantum processor and observe very close agreement with noiseless exact simulation. Finally, we perform feature attribution methods and find that the quantum models indeed identify sensible relationships, at least as well as the classical baselines. This work constitutes the first proof-of-concept application of near-term quantum computing to a task critical to the design of therapeutic proteins, opening the route toward larger-scale applications in this and related fields, in line with the hardware development roadmaps of near-term quantum technologies.
LGOct 29, 2025
Hybrid Quantum-Classical Recurrent Neural NetworksWenduan Xu
We present a hybrid quantum-classical recurrent neural network (QRNN) architecture in which the recurrent core is realized as a parametrized quantum circuit (PQC) controlled by a classical feedforward network. The hidden state is the quantum state of an $n$-qubit PQC in an exponentially large Hilbert space $\mathbb{C}^{2^n}$, which serves as a coherent recurrent quantum memory. The PQC is unitary by construction, making the hidden-state evolution norm-preserving without external constraints. At each timestep, mid-circuit Pauli expectation-value readouts are combined with the input embedding and processed by the feedforward network, which provides explicit classical nonlinearity. The outputs parametrize the PQC, which updates the hidden state via unitary dynamics. The QRNN is compact and physically consistent, and it unifies (i) unitary recurrence as a high-capacity memory, (ii) partial observation via mid-circuit readouts, and (iii) nonlinear classical control for input-conditioned parametrization. We evaluate the model in simulation with up to 14 qubits on sentiment analysis, MNIST, permuted MNIST, copying memory, and language modeling. For sequence-to-sequence learning, we further devise a soft attention mechanism over the mid-circuit readouts and show its effectiveness for machine translation. To our knowledge, this is the first model (RNN or otherwise) grounded in quantum operations to achieve competitive performance against strong classical baselines across a broad class of sequence-learning tasks.