arXiv subjects

Hatem Fakhruldeen

Publications and source records attributed to Hatem Fakhruldeen.

11 recordsLinked to original sources

arXiv2026

Human-Aware Robot Behaviour in Self-Driving Labs

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.

cs.RO↗

arXiv2026

MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation

Accelerated materials discovery is critical for addressing global challenges. However, developing new laboratory workflows relies heavily on real-world experimental trials, and this can hinder scalability because of the need for numerous physical make-and-test iterations. Here we present MATTERIX, a multiscale, graphics processing unit-accelerated robotic simulation framework designed to create high-fidelity digital twins of chemistry laboratories, thus accelerating workflow development. This multiscale digital twin simulates robotic physical manipulation, powder and liquid dynamics, device functionalities, heat transfer and basic chemical reaction kinetics. This is enabled by integrating realistic physics simulation and photorealistic rendering with a modular graphics processing unit-accelerated semantics engine, which models logical states and continuous behaviors to simulate chemistry workflows across different levels of abstraction. MATTERIX streamlines the creation of digital twin environments through open-source asset libraries and interfaces, while enabling flexible workflow design via hierarchical plan definition and a modular skill library that incorporates learning-based methods. Our approach demonstrates sim-to-real transfer in robotic chemistry setups, reducing reliance on costly real-world experiments and enabling the testing of hypothetical automated workflows in silico. The project website is available at https://accelerationconsortium.github.io/Matterix/ .

cs.RO↗

arXiv2025

PREVENT: Proactive Risk Evaluation and Vigilant Execution of Tasks for Mobile Robotic Chemists using Multi-Modal Behavior Trees

Mobile robotic chemists are a fast growing trend in the field of chemistry and materials research. However, so far these mobile robots lack workflow awareness skills. This poses the risk that even a small anomaly, such as an improperly capped sample vial could disrupt the entire workflow. This wastes time, and resources, and could pose risks to human researchers, such as exposure to toxic materials. Existing perception mechanisms can be used to predict anomalies but they often generate excessive false positives. This may halt workflow execution unnecessarily, requiring researchers to intervene and to resume the workflow when no problem actually exists, negating the benefits of autonomous operation. To address this problem, we propose PREVENT a system comprising navigation and manipulation skills based on a multimodal Behavior Tree (BT) approach that can be integrated into existing software architectures with minimal modifications. Our approach involves a hierarchical perception mechanism that exploits AI techniques and sensory feedback through Dexterous Vision and Navigational Vision cameras and an IoT gas sensor module for execution-related decision-making. Experimental evaluations show that the proposed approach is comparatively efficient and completely avoids both false negatives and false positives when tested in simulated risk scenarios within our robotic chemistry workflow. The results also show that the proposed multi-modal perception skills achieved deployment accuracies that were higher than the average of the corresponding uni-modal skills, both for navigation and for manipulation.

cs.RO↗

arXiv2025

Chemist Eye: A Visual Language Model-Powered System for Safety Monitoring and Robot Decision-Making in Self-Driving Laboratories

The integration of robotics and automation into self-driving laboratories (SDLs) can introduce additional safety complexities, in addition to those that already apply to conventional research laboratories. Personal protective equipment (PPE) is an essential requirement for ensuring the safety and well-being of workers in laboratories, self-driving or otherwise. Fires are another important risk factor in chemical laboratories. In SDLs, fires that occur close to mobile robots, which use flammable lithium batteries, could have increased severity. Here, we present Chemist Eye, a distributed safety monitoring system designed to enhance situational awareness in SDLs. The system integrates multiple stations equipped with RGB, depth, and infrared cameras, designed to monitor incidents in SDLs. Chemist Eye is also designed to spot workers who have suffered a potential accident or medical emergency, PPE compliance and fire hazards. To do this, Chemist Eye uses decision-making driven by a vision-language model (VLM). Chemist Eye is designed for seamless integration, enabling real-time communication with robots. Based on the VLM recommendations, the system attempts to drive mobile robots away from potential fire locations, exits, or individuals not wearing PPE, and issues audible warnings where necessary. It also integrates with third-party messaging platforms to provide instant notifications to lab personnel. We tested Chemist Eye with real-world data from an SDL equipped with three mobile robots and found that the spotting of possible safety hazards and decision-making performances reached 97 % and 95 %, respectively.

cs.RO↗

arXiv2025

Multimodal Behaviour Trees for Robotic Laboratory Task Automation

Laboratory robotics offer the capability to conduct experiments with a high degree of precision and reproducibility, with the potential to transform scientific research. Trivial and repeatable tasks; e.g., sample transportation for analysis and vial capping are well-suited for robots; if done successfully and reliably, chemists could contribute their efforts towards more critical research activities. Currently, robots can perform these tasks faster than chemists, but how reliable are they? Improper capping could result in human exposure to toxic chemicals which could be fatal. To ensure that robots perform these tasks as accurately as humans, sensory feedback is required to assess the progress of task execution. To address this, we propose a novel methodology based on behaviour trees with multimodal perception. Along with automating robotic tasks, this methodology also verifies the successful execution of the task, a fundamental requirement in safety-critical environments. The experimental evaluation was conducted on two lab tasks: sample vial capping and laboratory rack insertion. The results show high success rate, i.e., 88% for capping and 92% for insertion, along with strong error detection capabilities. This ultimately proves the robustness and reliability of our approach and that using multimodal behaviour trees should pave the way towards the next generation of robotic chemists.

cs.RO↗

arXiv2025

An Open-source Capping Machine Suitable for Confined Spaces

In the context of self-driving laboratories (SDLs), ensuring automated and error-free capping is crucial, as it is a ubiquitous step in sample preparation. Automated capping in SDLs can occur in both large and small workspaces (e.g., inside a fume hood). However, most commercial capping machines are designed primarily for large spaces and are often too bulky for confined environments. Moreover, many commercial products are closed-source, which can make their integration into fully autonomous workflows difficult. This paper introduces an open-source capping machine suitable for compact spaces, which also integrates a vision system that recognises capping failure. The capping and uncapping processes are repeated 100 times each to validate the machine's design and performance. As a result, the capping machine reached a 100 % success rate for capping and uncapping. Furthermore, the machine sealing capacities are evaluated by capping 12 vials filled with solvents of different vapour pressures: water, ethanol and acetone. The vials are then weighed every 3 hours for three days. The machine's performance is benchmarked against an industrial capping machine (a Chemspeed station) and manual capping. The vials capped with the prototype lost 0.54 % of their content weight on average per day, while the ones capped with the Chemspeed and manually lost 0.0078 % and 0.013 %, respectively. The results show that the capping machine is a reasonable alternative to industrial and manual capping, especially when space and budget are limitations in SDLs.

cs.RO↗

arXiv2025

Accelerating Discovery in Natural Science Laboratories with AI and Robotics: Perspectives and Challenges from the 2024 IEEE ICRA Workshop, Yokohama, Japan

Science laboratory automation enables accelerated discovery in life sciences and materials. However, it requires interdisciplinary collaboration to address challenges such as robust and flexible autonomy, reproducibility, throughput, standardization, the role of human scientists, and ethics. This article highlights these issues, reflecting perspectives from leading experts in laboratory automation across different disciplines of the natural sciences.

cs.RO↗

arXiv2024

Accelerating Laboratory Automation Through Robot Skill Learning For Sample Scraping

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.

cs.RO↗

arXiv2023

Modular, Multi-Robot Integration of Laboratories: An Autonomous Solid-State Workflow for Powder X-Ray Diffraction

Automation can transform productivity in research activities that use liquid handling, such as organic synthesis, but it has made less impact in materials laboratories, which require sample preparation steps and a range of solid-state characterization techniques. For example, powder X-ray diffraction (PXRD) is a key method in materials and pharmaceutical chemistry, but its end-to-end automation is challenging because it involves solid powder handling and sample processing. Here we present a fully autonomous solid-state workflow for PXRD experiments that can match or even surpass manual data quality. The workflow involves 12 steps performed by a team of three multipurpose robots, illustrating the power of flexible, modular automation to integrate complex, multitask laboratories.

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arXiv2022

ARChemist: Autonomous Robotic Chemistry System Architecture

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.

cs.RO↗

arXiv2022

SOLIS: Autonomous Solubility Screening using Deep Neural Networks

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.

cs.CV↗