William R. Clements

Omar Bacarreza, Thorin Farnsworth, Alexander Makarovskiy et al.

Many successful families of generative models leverage a low-dimensional latent distribution that is mapped to a data distribution. Though simple latent distributions are commonly used, it has been shown that more sophisticated distributions can improve performance. For instance, recent work has explored using the distributions produced by quantum processors and found empirical improvements. However, when latent space distributions produced by quantum processors can be expected to improve performance, and whether these improvements are reproducible, are open questions that we investigate in this work. We prove that, under certain conditions, these "quantum latent distributions" enable generative models to produce data distributions that classical latent distributions cannot efficiently produce. We also provide actionable intuitions to identify when such quantum advantages may arise in real-world settings. We perform benchmarking experiments on both a synthetic quantum dataset and the QM9 molecular dataset, using both simulated and real photonic quantum processors. Our results demonstrate that quantum latent distributions can lead to improved generative performance in GANs compared to a range of classical baselines. We also explore diffusion and flow matching models, identifying architectures compatible with quantum latent distributions. This work confirms that near-term quantum processors can expand the capabilities of deep generative models.

Rajiv Kailasanathan, William R. Clements, Mohammad Reza Boskabadi et al.

The development of continuous biomanufacturing processes requires robust and early anomaly detection, since even minor deviations can compromise yield and stability, leading to disruptions in scheduling, reduced weekly production, and diminished economic performance. These processes are inherently complex and exhibit non-linear dynamics with intricate relationships between process variables, thus making advanced methods for anomaly detection essential for efficient operation. In this work, we present a novel framework for unsupervised anomaly detection in continuous biomanufacturing based on an ensemble of generative adversarial networks (GANs). We first establish a benchmark dataset simulating both normal and anomalous operation regimes in a continuous process for the production of a small molecule. We then demonstrate the effectiveness of our GAN-based framework in detecting anomalies caused by sudden feedstock variability. Finally, we evaluate the impact of using a hybrid quantum/classical GAN approach with both a simulated quantum circuit and a real photonic quantum processor on anomaly detection performance. We find that the hybrid approach yields improved anomaly detection rates. Our work shows the potential of hybrid quantum/classical approaches for solving real-world problems in complex continuous biomanufacturing processes.

Robin Quessard, Thomas D. Barrett, William R. Clements

Learning disentangled representations is a key step towards effectively discovering and modelling the underlying structure of environments. In the natural sciences, physics has found great success by describing the universe in terms of symmetry preserving transformations. Inspired by this formalism, we propose a framework, built upon the theory of group representation, for learning representations of a dynamical environment structured around the transformations that generate its evolution. Experimentally, we learn the structure of explicitly symmetric environments without supervision from observational data generated by sequential interactions. We further introduce an intuitive disentanglement regularisation to ensure the interpretability of the learnt representations. We show that our method enables accurate long-horizon predictions, and demonstrate a correlation between the quality of predictions and disentanglement in the latent space.

Reda Bahi Slaoui, William R. Clements, Jakob N. Foerster et al.

Producing agents that can generalize to a wide range of visually different environments is a significant challenge in reinforcement learning. One method for overcoming this issue is visual domain randomization, whereby at the start of each training episode some visual aspects of the environment are randomized so that the agent is exposed to many possible variations. However, domain randomization is highly inefficient and may lead to policies with high variance across domains. Instead, we propose a regularization method whereby the agent is only trained on one variation of the environment, and its learned state representations are regularized during training to be invariant across domains. We conduct experiments that demonstrate that our technique leads to more efficient and robust learning than standard domain randomization, while achieving equal generalization scores.

Thomas D. Barrett, William R. Clements, Jakob N. Foerster et al.

Many real-world problems can be reduced to combinatorial optimization on a graph, where the subset or ordering of vertices that maximize some objective function must be found. With such tasks often NP-hard and analytically intractable, reinforcement learning (RL) has shown promise as a framework with which efficient heuristic methods to tackle these problems can be learned. Previous works construct the solution subset incrementally, adding one element at a time, however, the irreversible nature of this approach prevents the agent from revising its earlier decisions, which may be necessary given the complexity of the optimization task. We instead propose that the agent should seek to continuously improve the solution by learning to explore at test time. Our approach of exploratory combinatorial optimization (ECO-DQN) is, in principle, applicable to any combinatorial problem that can be defined on a graph. Experimentally, we show our method to produce state-of-the-art RL performance on the Maximum Cut problem. Moreover, because ECO-DQN can start from any arbitrary configuration, it can be combined with other search methods to further improve performance, which we demonstrate using a simple random search.

William R. Clements, Bastien Van Delft, Benoît-Marie Robaglia et al.

Reinforcement learning agents are faced with two types of uncertainty. Epistemic uncertainty stems from limited data and is useful for exploration, whereas aleatoric uncertainty arises from stochastic environments and must be accounted for in risk-sensitive applications. We highlight the challenges involved in simultaneously estimating both of them, and propose a framework for disentangling and estimating these uncertainties on learned Q-values. We derive unbiased estimators of these uncertainties and introduce an uncertainty-aware DQN algorithm, which we show exhibits safe learning behavior and outperforms other DQN variants on the MinAtar testbed.