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ARChemist: Autonomous Robotic Chemistry System Architecture

arXiv.org Artificial Intelligence

-- 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. I. INTRODUCTION Accelerating the discovery of new materials is important for industrial applications such as healthcare and energy production. This can be achieved through running long-term experiments autonomously, for example by increasing the use of robotic platforms in laboratories. In practice, this would accumulate more experiments in less time, and potentially minimise the scientists' exposure to harmful chemicals, reducing their repetitive tasks.


Multimodal Behaviour Trees for Robotic Laboratory Task Automation

arXiv.org Artificial Intelligence

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.


Signatures of planets and Galactic subpopulations in solar analogs. Precise chemical abundances with neural networks

arXiv.org Artificial Intelligence

The aim of this work is to obtain precise atmospheric parameters and chemical abundances automatically for solar twins and analogs to find signatures of exoplanets, as well as to assess how peculiar the Sun is compared to these stars and to analyze any possible fine structures in the Galactic thin disk. We developed a neural network (NN) algorithm using Python to obtain these parameters for a sample of 99 solar twins and solar analogs previously studied in the literature from normalized high-quality spectra from HARPS, with a resolving power of R $\sim$ 115000 and a signal-to-noise ratio S/N > 400. We obtained precise atmospheric parameters and abundance ratios [X/Fe] of 20 chemical elements (Li, C, O, Na, Mg, Al, Si, S, Ca, Sc, Ti, V, Cr, Mn, Co, Ni, Cu, Zn, Y, and Ba). The results are in line with the literature, with average differences and standard deviations of $(2 \pm 27)$ K for T$_{\rm eff}$, $(0.00 \pm 0.06)$ dex for log g, $(0.00 \pm 0.02)$ dex for [Fe/H], $(-0.01 \pm 0.05)$ km s$^{-1}$ for microturbulence velocity, $(0.02 \pm 0.08)$ km s$^{-1}$ for the macro turbulence velocity, and $(-0.12 \pm 0.26)$ km s$^{-1}$ for the projected rotational velocity (vsin$i$). Regarding the chemical abundances, most of the elements agree with the literature within 0.01 - 0.02 dex. The abundances were corrected from the effects of the Galactic chemical evolution and analyzed with the condensation temperature (T$_{\rm cond}$) to verify whether the stars presented depletion of refractories compared to volatiles. We found that the Sun is more depleted in refractory elements compared to volatiles than 89% of the studied solar analogs, with a significance of 9.5$σ$ when compared to the stars without detected exoplanets. We also found the possible presence of three subpopulations in the solar analogs: one Cu-rich, one Cu-poor, and the last one slightly older and poor in Na.


Republicans move to revive Trump's 'beautiful clean coal industry' after Biden shut it down

FOX News

But can the struggling industry make a comeback? EXCLUSIVE: The House Energy and Commerce Committee is set to revive the National Coal Council and "reinvigorate America's beautiful clean coal industry," as President Donald Trump put it. Committee Chairman Brett Guthrie, R-Ky., told Fox News Digital the National Coal Council legislation will successfully pass out of his committee Wednesday and have a good chance of passing the full House. Michael Rulli, R-Ohio, and Riley Moore, R-W.V., are leading the legislation to reestablish the council, effectively canceled by former President Joe Biden, and support the clean coal industry for a multitude of reasons, including energy security at a time of Middle East uncertainty. Rulli told Fox News Digital the Biden administration's endeavors against the council and the coal industry writ-large were a "deliberate" effort to "wipe out coal, kill jobs, and make America dependent on foreign energy."


Automated Plan Refinement for Improving Efficiency of Robotic Layup of Composite Sheets

arXiv.org Artificial Intelligence

The automation of composite sheet layup is essential to meet the increasing demand for composite materials in various industries. However, draping plans for the robotic layup of composite sheets are not robust. A plan that works well under a certain condition does not work well in a different condition. Changes in operating conditions due to either changes in material properties or working environment may lead a draping plan to exhibit suboptimal performance. In this paper, we present a comprehensive framework aimed at refining plans based on the observed execution performance. Our framework prioritizes the minimization of uncompacted regions while simultaneously improving time efficiency. To achieve this, we integrate human expertise with data-driven decision-making to refine expert-crafted plans for diverse production environments. We conduct experiments to validate the effectiveness of our approach, revealing significant reductions in the number of corrective paths required compared to initial expert-crafted plans. Through a combination of empirical data analysis, action-effectiveness modeling, and search-based refinement, our system achieves superior time efficiency in robotic layup. Experimental results demonstrate the efficacy of our approach in optimizing the layup process, thereby advancing the state-of-the-art in composite manufacturing automation.


Predicting Stock Market Crash with Bayesian Generalised Pareto Regression

arXiv.org Machine Learning

This paper develops a Bayesian Generalised Pareto Regression (GPR) model to forecast extreme losses in Indian equity markets, with a focus on the Nifty 50 index. Extreme negative returns, though rare, can cause significant financial disruption, and accurate modelling of such events is essential for effective risk management. Traditional Generalised Pareto Distribution (GPD) models often ignore market conditions; in contrast, our framework links the scale parameter to covariates using a log-linear function, allowing tail risk to respond dynamically to market volatility. We examine four prior choices for Bayesian regularisation of regression coefficients: Cauchy, Lasso (Laplace), Ridge (Gaussian), and Zellner's g-prior. Simulation results suggest that the Cauchy prior delivers the best trade-off between predictive accuracy and model simplicity, achieving the lowest RMSE, AIC, and BIC values. Empirically, we apply the model to large negative returns (exceeding 5%) in the Nifty 50 index. Volatility measures from the Nifty 50, S&P 500, and gold are used as covariates to capture both domestic and global risk drivers. Our findings show that tail risk increases significantly with higher market volatility. In particular, both S&P 500 and gold volatilities contribute meaningfully to crash prediction, highlighting global spillover and flight-to-safety effects. The proposed GPR model offers a robust and interpretable approach for tail risk forecasting in emerging markets. It improves upon traditional EVT-based models by incorporating real-time financial indicators, making it useful for practitioners, policymakers, and financial regulators concerned with systemic risk and stress testing.


Autonomous Navigation of Quadrupeds Using Coverage Path Planning with Morphological Skeleton Map

arXiv.org Artificial Intelligence

--This paper proposes a novel method of coverage path planning for the purpose of scanning an unstructured environment autonomously. The method uses the morphological skeleton of the prior 2D navigation map via SLAM to generate a sequence of points of interest (POIs). This sequence is then ordered to create an optimal path given the robot's current position. T o control the high-level operation, a finite state machine is used to switch between two modes: navigating towards a POI using Nav2, and scanning the local surroundings. We validate the method in a leveled indoor obstacle-free non-convex environment on time efficiency and reachability over five trials. The map reader and the path planner can quickly process maps of width and height ranging between [196,225] pixels and [185,231] pixels in 2. 52 ms and 1 . The robot managed to reach 86. 5 % of all waypoints over all five runs. The proposed method suffers from drift occurring in the 2D navigation map. Due to advancements in technology and miniaturization, in the past decade surface (or ground) robots, such as wheeled and legged robots, have been increasingly adopted for diverse operations in harsh and unstructured environments. One of the key challenges in such environments is that the infrastructure to support diverse operations does not readily exist. These environments include, for example, disaster response [1], [2], [3], mining operations [4], [5], space exploration [6], [7], [8], [9], surveillance in remote locations [10], [11], or hazardous industries like nuclear power plant maintenance [12], [13]. In such complex environments, legged robots are more versatile and robust compared to wheeled robots than other surface robots such as wheeled rovers, and can adaptively navigate uneven, rugged, or soft terrain. Legged robots can cover relatively larger spatial areas by choosing safe footholds within their range of motion and rapidly responding to adjust their kinematic configuration [14] to achieve their objectives. The number of legs in a legged robot determines its movement efficiency and ability to maintain stability [15]. The source code is open source and is available at: https://github.com/ On the other hand, quadrupeds possess simpler structures and control mechanisms than hexapodal and octopodal robots [16], [17]. For this reason, quadruped robots are ideal for tasks involving safe navigation of complex 3D environments for (sub-)surface exploration.


Enhancing Stress-Strain Predictions with Seq2Seq and Cross-Attention based on Small Punch Test

arXiv.org Artificial Intelligence

This paper introduces a novel deep-learning approach to predict true stress-strain curves of high-strength steels from small punch test (SPT) load-displacement data. The proposed approach uses Gramian Angular Field (GAF) to transform load-displacement sequences into images, capturing spatial-temporal features and employs a Sequence-to-Sequence (Seq2Seq) model with an LSTM-based encoder-decoder architecture, enhanced by multi-head cross-attention to improved accuracy. Experimental results demonstrate that the proposed approach achieves superior prediction accuracy, with minimum and maximum mean absolute errors of 0.15 MPa and 5.58 MPa, respectively. The proposed method offers a promising alternative to traditional experimental techniques in materials science, enhancing the accuracy and efficiency of true stress-strain relationship predictions.


Advancing Digital Precision Medicine for Chronic Fatigue Syndrome through Longitudinal Large-Scale Multi-Modal Biological Omics Modeling with Machine Learning and Artificial Intelligence

arXiv.org Artificial Intelligence

We studied a generalized question: chronic diseases like ME/CFS and long COVID exhibit high heterogeneity with multifactorial etiology and progression, complicating diagnosis and treatment. To address this, we developed BioMapAI, an explainable Deep Learning framework using the richest longitudinal multi-omics dataset for ME/CFS to date. This dataset includes gut metagenomics, plasma metabolome, immune profiling, blood labs, and clinical symptoms. By connecting multi-omics to a symptom matrix, BioMapAI identified both disease- and symptom-specific biomarkers, reconstructed symptoms, and achieved state-of-the-art precision in disease classification. We also created the first connectivity map of these omics in both healthy and disease states and revealed how microbiome-immune-metabolome crosstalk shifted from healthy to ME/CFS.


Automated Skill Discovery for Language Agents through Exploration and Iterative Feedback

arXiv.org Artificial Intelligence

Training large language model (LLM) agents to acquire necessary skills and perform diverse tasks within an environment is gaining interest as a means to enable open-endedness. However, creating the training dataset for their skill acquisition faces several challenges. Manual trajectory collection requires significant human effort. Another approach, where LLMs directly propose tasks to learn, is often invalid, as the LLMs lack knowledge of which tasks are actually feasible. Moreover, the generated data may not provide a meaningful learning signal, as agents often already perform well on the proposed tasks. To address this, we propose a novel automatic skill discovery framework EXIF for LLM-powered agents, designed to improve the feasibility of generated target behaviors while accounting for the agents' capabilities. Our method adopts an exploration-first strategy by employing an exploration agent (Alice) to train the target agent (Bob) to learn essential skills in the environment. Specifically, Alice first interacts with the environment to retrospectively generate a feasible, environment-grounded skill dataset, which is then used to train Bob. Crucially, we incorporate an iterative feedback loop, where Alice evaluates Bob's performance to identify areas for improvement. This feedback then guides Alice's next round of exploration, forming a closed-loop data generation process. Experiments on Webshop and Crafter demonstrate EXIF's ability to effectively discover meaningful skills and iteratively expand the capabilities of the trained agent without any human intervention, achieving substantial performance improvements. Interestingly, we observe that setting Alice to the same model as Bob also notably improves performance, demonstrating EXIF's potential for building a self-evolving system.