Automated laboratory experiments have the potential to propel new discoveries, while increasing reproducibility and improving scientists' safety when handling dangerous materials. However, many automated laboratory workflows have not fully leveraged the remarkable advancements in robotics and digital lab equipment. As a result, most robotic systems used in the labs are programmed specifically for a single experiment, often relying on proprietary architectures or using unconventional hardware. In this work, we tackle this problem by proposing a novel robotic system architecture specifically designed with and for chemists, which allows the scientist to easily reconfigure their setup for new experiments. Specifically, the system's strength is its ability to combine together heterogeneous robotic platforms with standard laboratory equipment to create different experimental setups. Finally, we show how the architecture can be used for specific laboratory experiments through case studies such as solubility screening and crystallisation.

Accelerating material discovery has tremendous societal and industrial impact, particularly for pharmaceuticals and clean energy production. Many experimental instruments have some degree of automation, facilitating continuous running and higher throughput. However, it is common that sample preparation is still carried out manually. This can result in researchers spending a significant amount of their time on repetitive tasks, which introduces errors and can prohibit production of statistically relevant data. Crystallisation experiments are common in many chemical fields, both for purification and in polymorph screening experiments. The initial step often involves a solubility screen of the molecule; that is, understanding whether molecular compounds have dissolved in a particular solvent. This usually can be time consuming and work intensive. Moreover, accurate knowledge of the precise solubility limit of the molecule is often not required, and simply measuring a threshold of solubility in each solvent would be sufficient. To address this, we propose a novel cascaded deep model that is inspired by how a human chemist would visually assess a sample to determine whether the solid has completely dissolved in the solution. In this paper, we design, develop, and evaluate the first fully autonomous solubility screening framework, which leverages state-of-the-art methods for image segmentation and convolutional neural networks for image classification. To realise that, we first create a dataset comprising different molecules and solvents, which is collected in a real-world chemistry laboratory. We then evaluated our method on the data recorded through an eye-in-hand camera mounted on a seven degree-of-freedom robotic manipulator, and show that our model can achieve 99.13% test accuracy across various setups, while being simple and fast to train and, as a result, easily transferable to a robotic platform.

Modelling robot dynamics accurately is essential for control, motion optimisation and safe human-robot collaboration. Given the complexity of modern robotic systems, dynamics modelling remains non-trivial, mostly in the presence of compliant actuators, mechanical inaccuracies, friction and sensor noise. Recent efforts have focused on utilising datadriven methods such as Gaussian processes and neural networks to overcome these challenges, as they are capable of capturing these dynamics without requiring extensive knowledge beforehand. While Gaussian processes have shown to be an effective method for learning robotic dynamics with the ability to also represent the uncertainty in the learned model through its variance, they come at a cost of cubic time complexity rather than linear, as is the case for deep neural networks. In this work, we leverage the use of deep kernel models, which combine the computational efficiency of deep learning with the nonparametric flexibility of kernel methods (Gaussian processes), with the overarching goal of realising an accurate probabilistic framework for uncertainty quantification. Through using the predicted variance, we adapt the feedback gains as more accurate models are learned, leading to low-gain control without compromising tracking accuracy. Using simulated and real data recorded from a seven degree-of-freedom robotic manipulator, we illustrate how using stochastic variational inference with deep kernel models increases compliance in the computed torque controller, and retains tracking accuracy. We empirically show how our model outperforms current state-of-the-art methods with prediction uncertainty for online inverse dynamics model learning, and solidify its adaptation and generalisation capabilities across different setups.

With advances in the field of machine learning, service robots are envisioned to become more present. The COVID-19 pandemic has accelerated this need. One such example would be coffee shops, which have become intrinsic to our everyday lives. Yet, serving an excellent cup of coffee is not trivial as a coffee blend typically comprises rich aromas, indulgent and unique flavours. Our work addresses this by proposing a computational model which recommends optimal coffee beans resulting from users' preferences. Given coffee properties (objective features), we apply different supervised learning techniques to predict coffee qualities (subjective features). We then consider an unsupervised learning method to analyse the relationship between coffee beans in the subjective feature space. Evaluated on a real coffee beans dataset based on digitised reviews, our results illustrate that the proposed computational model gives up to 92.7 percent recommendation accuracy for coffee prediction. From this, we propose how it can be deployed on a robot.

In the early stages of infant development, gestures and speech are integrated during language acquisition. Such a natural combination is therefore a desirable, yet challenging, goal for fluid human-robot interaction. To achieve this, we propose a multimodal deep learning architecture, for comprehension of complementary gesture-word combinations, implemented on an iCub humanoid robot. This enables human-assisted language learning, with interactions like pointing at a cup and labelling it with a vocal utterance. We evaluate various depths of the Mask Regional Convolutional Neural Network (for object and wrist detection) and the Residual Network (for gesture classification). Validation is carried out with two deictic gestures across ten real-world objects on frames recorded directly from the iCub's cameras. Results further strengthen the potential of gesture-word combinations for robot language acquisition.