Learning Complex Word Embeddings in Classical and Quantum Spaces

We present a variety of methods for training complex-valued word embeddings, based on the classical Skip-gram model, with a straightforward adaptation simply replacing the real-valued vectors with arbitrary vectors of complex numbers. In a more "physically-inspired" approach, the vectors are produced by parameterised quantum circuits (PQCs), which are unitary transformations resulting in normalised vectors which have a probabilistic interpretation. We develop a complex-valued version of the highly optimised C code version of Skip-gram, which allows us to easily produce complex embeddings trained on a 3.8B-word corpus for a vocabulary size of over 400k, for which we are then able to train a separate PQC for each word. We evaluate the complex embeddings on a set of standard similarity and relatedness datasets, for some models obtaining results competitive with the classical baseline. We find that, while training the PQCs directly tends to harm performance, the quantum word embeddings from the two-stage process perform as well as the classical Skip-gram embeddings with comparable numbers of parameters. This enables a highly scalable route to learning embeddings in complex spaces which scales with the size of the vocabulary rather than the size of the training corpus. In summary, we demonstrate how to produce a large set of high-quality word embeddings for use in complex-valued and quantum-inspired NLP models, and for exploring potential advantage in quantum NLP models.

Peptide Binding Classification on Quantum Computers

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.