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.

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning methods face limitations that curb their expressive power. To address this, we explore the integration of vast molecular domain knowledge from Large Language Models (LLMs) with the complementary strengths of Graph Neural Networks (GNNs) to enhance performance in property prediction tasks. We introduce a Multi-Modal Fusion (MMF) framework that synergistically harnesses the analytical prowess of GNNs and the linguistic generative and predictive abilities of LLMs, thereby improving accuracy and robustness in predicting molecular properties. Our framework combines the effectiveness of GNNs in modeling graph-structured data with the zero-shot and few-shot learning capabilities of LLMs, enabling improved predictions while reducing the risk of overfitting. Furthermore, our approach effectively addresses distributional shifts, a common challenge in real-world applications, and showcases the efficacy of learning cross-modal representations, surpassing state-of-the-art baselines on benchmark datasets for property prediction tasks.

Large language models (LLMs) often encounter knowledge conflicts, scenarios where discrepancy arises between the internal parametric knowledge of LLMs and non-parametric information provided in the prompt context. In this work we ask what are the desiderata for LLMs when a knowledge conflict arises and whether existing LLMs fulfill them. We posit that LLMs should 1) identify knowledge conflicts, 2) pinpoint conflicting information segments, and 3) provide distinct answers or viewpoints in conflicting scenarios. To this end, we introduce KNOWLEDGE CONFLICT, an evaluation framework for simulating contextual knowledge conflicts and quantitatively evaluating to what extent LLMs achieve these goals. KNOWLEDGE CONFLICT includes diverse and complex situations of knowledge conflict, knowledge from diverse entities and domains, two synthetic conflict creation methods, and settings with progressively increasing difficulty to reflect realistic knowledge conflicts. Extensive experiments with the KNOWLEDGE CONFLICT framework reveal that while LLMs perform well in identifying the existence of knowledge conflicts, they struggle to determine the specific conflicting knowledge and produce a response with distinct answers amidst conflicting information. To address these challenges, we propose new instruction-based approaches that augment LLMs to better achieve the three goals. Further analysis shows that abilities to tackle knowledge conflicts are greatly impacted by factors such as knowledge domain and prompt text, while generating robust responses to knowledge conflict scenarios remains an open research question.

Detection of Volatile Organic Compounds (VOCs) from the breath is becoming a viable route for the early detection of diseases non-invasively. This paper presents a sensor array with three metal oxide electrodes that can use machine learning methods to identify four distinct VOCs in a mixture. The metal oxide sensor array was subjected to various VOC concentrations, including ethanol, acetone, toluene and chloroform. The dataset obtained from individual gases and their mixtures were analyzed using multiple machine learning algorithms, such as Random Forest (RF), K-Nearest Neighbor (KNN), Decision Tree, Linear Regression, Logistic Regression, Naive Bayes, Linear Discriminant Analysis, Artificial Neural Network, and Support Vector Machine. KNN and RF have shown more than 99% accuracy in classifying different varying chemicals in the gas mixtures. In regression analysis, KNN has delivered the best results with R2 value of more than 0.99 and LOD of 0.012, 0.015, 0.014 and 0.025 PPM for predicting the concentrations of varying chemicals Acetone, Toluene, Ethanol, and Chloroform, respectively in complex mixtures. Therefore, it is demonstrated that the array utilizing the provided algorithms can classify and predict the concentrations of the four gases simultaneously for disease diagnosis and treatment monitoring.

When it comes to identifying scents, a "neuromorphic" artificial intelligence beats other AI by more than a nose. The new AI learns to recognize smells more efficiently and reliably than other algorithms. And unlike other AI, this system can keep learning new aromas without forgetting others, researchers report online March 16 in Nature Machine Intelligence. The key to the program's success is its neuromorphic structure, which resembles the neural circuitry in mammalian brains more than other AI designs. This kind of algorithm, which excels at detecting faint signals amidst background noise and continually learning on the job, could someday be used for air quality monitoring, toxic waste detection or medical diagnoses.