Gabriella Pizzuto

Gabriella Pizzuto, Hetong Wang, Hatem Fakhruldeen et al.

The use of laboratory robotics for autonomous experiments offers an attractive route to alleviate scientists from tedious tasks while accelerating material discovery for topical issues such as climate change and pharmaceuticals. While some experimental workflows can already benefit from automation, sample preparation is still carried out manually due to the high level of motor function and dexterity required when dealing with different tools, chemicals, and glassware. A fundamental workflow in chemical fields is crystallisation, where one application is polymorph screening, i.e., obtaining a three dimensional molecular structure from a crystal. For this process, it is of utmost importance to recover as much of the sample as possible since synthesising molecules is both costly in time and money. To this aim, chemists scrape vials to retrieve sample contents prior to imaging plate transfer. Automating this process is challenging as it goes beyond robotic insertion tasks due to a fundamental requirement of having to execute fine-granular movements within a constrained environment (sample vial). Motivated by how human chemists carry out this process of scraping powder from vials, our work proposes a model-free reinforcement learning method for learning a scraping policy, leading to a fully autonomous sample scraping procedure. We first create a scenario-specific simulation environment with a Panda Franka Emika robot using a laboratory scraper that is inserted into a simulated vial, to demonstrate how a scraping policy can be learned successfully in simulation. We then train and evaluate our method on a real robotic manipulator in laboratory settings, and show that our method can autonomously scrape powder across various setups.

Gabriella Pizzuto, Jacopo de Berardinis, Louis Longley et al.

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.

Cenk Cetin, Shreyas Pouli, Gabriella Pizzuto

The increasing demand for accelerated scientific discovery, driven by global challenges, highlights the need for advanced AI-driven robotics. Deploying robotic chemists in human-centric labs is key for the next horizon of autonomous discovery, as complex tasks still demand the dexterity of human scientists. Robotic manipulation in this context is uniquely challenged by handling diverse chemicals (granular, powdery, or viscous liquids), under varying lab conditions. For example, humans use spatulas for scraping materials from vial walls. Automating this process is challenging because it goes beyond simple robotic insertion tasks and traditional lab automation, requiring the execution of fine-granular movements within a constrained environment (the sample vial). Our work proposes an adaptive control framework to address this, relying on a low-level Cartesian impedance controller for stable and compliant physical interaction and a high-level reinforcement learning agent that learns to dynamically adjust interaction forces at the end-effector. The agent is guided by perception feedback, which provides the material's location. We first created a task-representative simulation environment with a Franka Research 3 robot, a scraping tool, and a sample vial containing heterogeneous materials. To facilitate the learning of an adaptive policy and model diverse characteristics, the sample is modelled as a collection of spheres, where each sphere is assigned a unique dislodgement force threshold, which is procedurally generated using Perlin noise. We train an agent to autonomously learn and adapt the optimal contact wrench for a sample scraping task in simulation and then successfully transfer this policy to a real robotic setup. Our method was evaluated across five different material setups, outperforming a fixed-wrench baseline by an average of 10.9%.

Satheeshkumar Veeramani, Anna Kisil, Abigail Bentley et al.

Self-driving laboratories (SDLs) are rapidly transforming research in chemistry and materials science to accelerate new discoveries. Mobile robot chemists (MRCs) play a pivotal role by autonomously navigating the lab to transport samples, effectively connecting synthesis, analysis, and characterisation equipment. The instruments within an SDL are typically designed or retrofitted to be accessed by both human and robotic chemists, ensuring operational flexibility and integration between manual and automated workflows. In many scenarios, human and robotic chemists may need to use the same equipment simultaneously. Currently, MRCs rely on simple LiDAR-based obstruction detection, which forces the robot to passively wait if a human is present. This lack of situational awareness leads to unnecessary delays and inefficient coordination in time-critical automated workflows in human-robot shared labs. To address this, we present an initial study of an embodied, AI-driven perception method that facilitates proactive human-robot interaction in shared-access scenarios. Our method features a hierarchical human intention prediction model that allows the robot to distinguish between preparatory actions (waiting) and transient interactions (accessing the instrument). Our results demonstrate that the proposed approach enhances efficiency by enabling proactive human-robot interaction, streamlining coordination, and potentially increasing the efficiency of autonomous scientific labs.

Jacopo de Berardinis, Gabriella Pizzuto, Francesco Lanza et al.

With advances in the field of machine learning, precisely algorithms for recommendation systems, robot assistants are envisioned to become more present in the hospitality industry. Additionally, the COVID-19 pandemic has also highlighted the need to have more service robots in our everyday lives, to minimise the risk of human to-human transmission. One such example would be coffee shops, which have become intrinsic to our everyday lives. However, serving an excellent cup of coffee is not a trivial feat as a coffee blend typically comprises rich aromas, indulgent and unique flavours and a lingering aftertaste. Our work addresses this by proposing a computational model which recommends optimal coffee beans resulting from the user's preferences. Specifically, given a set of coffee bean 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 beans prediction. From this, we propose how this computational model can be deployed on a service robot to reliably predict customers' coffee bean preferences, starting from the user inputting their coffee preferences to the robot recommending the coffee beans that best meet the user's likings.