The present paper is concerned with deep learning techniques applied to detection and localization of damage in a thin aluminum plate. We used data generated on a tabletop apparatus by mounting to the plate four piezoelectric transducers, each of which took turn to generate a Lamb wave that then traversed the region of interest before being received by the remaining three sensors. On training a neural network to analyze time-series data of the material response, which displayed damage-reflective features whenever the plate guided waves interacted with a contact load, we achieved a model that detected with greater than 99% accuracy in addition to a model that localized with $3.14 \pm 0.21$ mm mean distance error and captured more than 60% of test examples within the diffraction limit. For each task, the best-performing model was designed according to the inductive bias that our transducers were both similar and arranged in a square pattern on a nearly uniform plate.

Tensegrity robots excel in tasks requiring extreme levels of deformability and robustness. However, there are challenges in state estimation and payload versatility due to their high number of degrees of freedom and unconventional shape. This paper introduces a modular three-bar tensegrity robot featuring a customizable payload design. Our tensegrity robot employs a novel Quasi-Direct Drive (QDD) cable actuator paired with low-stretch polymer cables to achieve accurate proprioception without the need for external force or torque sensors. The design allows for on-the-fly stiffness tuning for better environment and payload adaptability. In this paper, we present the design, fabrication, assembly, and experimental results of the robot. Experimental data demonstrates the high accuracy cable length estimation (<1% error relative to bar length) and variable stiffness control of the cable actuator up to 7 times the minimum stiffness for self support. The presented tensegrity robot serves as a platform for future advancements in autonomous operation and open-source module design.

Crystallisation is an important phenomenon which facilitates the purification as well as structural and bulk phase material characterisation using crystallographic methods. However, different conditions can lead to a vast set of different crystal structure polymorphs and these often exhibit different physical properties, allowing materials to be tailored to specific purposes. This means the high dimensionality that can result from variations in the conditions which affect crystallisation, and the interaction between them, means that exhaustive exploration is difficult, time-consuming, and costly to explore. Herein we present a robotic crystal search engine for the automated and efficient high-throughput approach to the exploration of crystallisation conditions. The system comprises a closed-loop computer crystal-vision system that uses machine learning to both identify crystals and classify their identity in a multiplexed robotic platform. By exploring the formation of a well-known polymorph, we were able to show how a robotic system could be used to efficiently search experimental space as a function of relative polymorph amount and efficiently create a high dimensionality phase diagram with minimal experimental budget and without expensive analytical techniques such as crystallography. In this way, we identify the set of polymorphs possible within a set of experimental conditions, as well as the optimal values of these conditions to grow each polymorph.

Information sharing is critical in time-sensitive and realistic multi-robot exploration, especially for smaller robotic teams in large-scale environments where connectivity may be sparse and intermittent. Existing methods often overlook such communication constraints by assuming unrealistic global connectivity. Other works account for communication constraints (by maintaining close proximity or line of sight during information exchange), but are often inefficient. For instance, preplanned rendezvous approaches typically involve unnecessary detours resulting from poorly timed rendezvous, while pursuit-based approaches often result in short-sighted decisions due to their greedy nature. We present IR2, a deep reinforcement learning approach to information sharing for multi-robot exploration. Leveraging attention-based neural networks trained via reinforcement and curriculum learning, IR2 allows robots to effectively reason about the longer-term trade-offs between disconnecting for solo exploration and reconnecting for information sharing. In addition, we propose a hierarchical graph formulation to maintain a sparse yet informative graph, enabling our approach to scale to large-scale environments. We present simulation results in three large-scale Gazebo environments, which show that our approach yields 6.6-34.1% shorter exploration paths and significantly improved mapped area consistency among robots when compared to state-of-the-art baselines. Our simulation training and testing code is available at https://github.com/marmotlab/IR2.

Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in significant advancements in the last decade. These techniques led to notable performance enhancements in different tasks such as protein structure prediction, drug-target binding affinity prediction, and molecular property prediction. In material science literature, it is well-known that crystalline materials exhibit topological structures. Such topological structures may be represented as graphs and utilization of graph neural network (GNN) based approaches could help encoding them into an augmented representation space. Primarily, such frameworks adopt supervised learning techniques targeted towards downstream property prediction tasks on the basis of electronic properties (formation energy, bandgap, total energy, etc.) and crystalline structures. Generally, such type of frameworks rely highly on the handcrafted atom feature representations along with the structural representations. In this paper, we propose an unsupervised framework namely, CrysAtom, using untagged crystal data to generate dense vector representation of atoms, which can be utilized in existing GNN-based property predictor models to accurately predict important properties of crystals. Empirical results show that our dense representation embeds chemical properties of atoms and enhance the performance of the baseline property predictor models significantly.

Quick and reliable measurement of wood chip moisture content is an everlasting problem for numerous forest-reliant industries such as biofuel, pulp and paper, and bio-refineries. Moisture content is a critical attribute of wood chips due to its direct relationship with the final product quality. Conventional techniques for determining moisture content, such as oven-drying, possess some drawbacks in terms of their time-consuming nature, potential sample damage, and lack of real-time feasibility. Furthermore, alternative techniques, including NIR spectroscopy, electrical capacitance, X-rays, and microwaves, have demonstrated potential; nevertheless, they are still constrained by issues related to portability, precision, and the expense of the required equipment. Hence, there is a need for a moisture content determination method that is instant, portable, non-destructive, inexpensive, and precise. This study explores the use of deep learning and machine vision to predict moisture content classes from RGB images of wood chips. A large-scale image dataset comprising 1,600 RGB images of wood chips has been collected and annotated with ground truth labels, utilizing the results of the oven-drying technique. Two high-performing neural networks, MoistNetLite and MoistNetMax, have been developed leveraging Neural Architecture Search (NAS) and hyperparameter optimization. The developed models are evaluated and compared with state-of-the-art deep learning models. Results demonstrate that MoistNetLite achieves 87% accuracy with minimal computational overhead, while MoistNetMax exhibits exceptional precision with a 91% accuracy in wood chip moisture content class prediction. With improved accuracy and faster prediction speed, our proposed MoistNet models hold great promise for the wood chip processing industry.

Advancements in natural language processing have revolutionized the way we can interact with digital information systems, such as databases, making them more accessible. However, challenges persist, especially when accuracy is critical, as in the biomedical domain. A key issue is the hallucination problem, where models generate information unsupported by the underlying data, potentially leading to dangerous misinformation. This paper presents a novel approach designed to bridge this gap by combining Large Language Models (LLM) and Knowledge Graphs (KG) to improve the accuracy and reliability of question-answering systems, on the example of a biomedical KG. Built on the LangChain framework, our method incorporates a query checker that ensures the syntactical and semantic validity of LLM-generated queries, which are then used to extract information from a Knowledge Graph, substantially reducing errors like hallucinations. We evaluated the overall performance using a new benchmark dataset of 50 biomedical questions, testing several LLMs, including GPT-4 Turbo and llama3:70b. Our results indicate that while GPT-4 Turbo outperforms other models in generating accurate queries, open-source models like llama3:70b show promise with appropriate prompt engineering. To make this approach accessible, a user-friendly web-based interface has been developed, allowing users to input natural language queries, view generated and corrected Cypher queries, and verify the resulting paths for accuracy. Overall, this hybrid approach effectively addresses common issues such as data gaps and hallucinations, offering a reliable and intuitive solution for question answering systems. The source code for generating the results of this paper and for the user-interface can be found in our Git repository: https://git.zib.de/lpusch/cyphergenkg-gui

Aqueous solubility (AS) is a key physiochemical property that plays a crucial role in drug discovery and material design. We report a novel unified approach to predict and infer chemical compounds with the desired AS based on simple deterministic graph-theoretic descriptors, multiple linear regression (MLR) and mixed integer linear programming (MILP). Selected descriptors based on a forward stepwise procedure enabled the simplest regression model, MLR, to achieve significantly good prediction accuracy compared to the existing approaches, achieving the accuracy in the range [0.7191, 0.9377] for 29 diverse datasets. By simulating these descriptors and learning models as MILPs, we inferred mathematically exact and optimal compounds with the desired AS, prescribed structures, and up to 50 non-hydrogen atoms in a reasonable time range [6, 1204] seconds. These findings indicate a strong correlation between the simple graph-theoretic descriptors and the AS of compounds, potentially leading to a deeper understanding of their AS without relying on widely used complicated chemical descriptors and complex machine learning models that are computationally expensive, and therefore difficult to use for inference. An implementation of the proposed approach is available at https://github.com/ku-dml/mol-infer/tree/master/AqSol.

This research investigates the use of artificial intelligence and machine learning techniques to predict the toxicity of nanoparticles, a pressing concern due to their pervasive use in various industries and the inherent challenges in assessing their biological interactions. Employing models such as Decision Trees, Random Forests, and XGBoost, the study focuses on analyzing physicochemical properties like size, shape, surface charge, and chemical composition to determine their influence on toxicity. Our findings highlight the significant role of oxygen atoms, particle size, surface area, dosage, and exposure duration in affecting toxicity levels. The use of machine learning allows for a nuanced understanding of the intricate patterns these properties form in biological contexts, surpassing traditional analysis methods in efficiency and predictive power. These advancements aid in developing safer nanomaterials through computational chemistry, reducing reliance on costly and time-consuming experimental methods. This approach not only enhances our understanding of nanoparticle behavior in biological systems but also streamlines the safety assessment process, marking a significant stride towards integrating computational techniques in nanotoxicology.

Sulfur hexafluoride (SF6) is used in high-voltage equipment on the grid. Greenhouse gases are those that trap heat in the atmosphere. SF6 and other fluorinated gases can be thousands of times more powerful at warming the planet than carbon dioxide, and yet, because they tend to escape in relatively small amounts, we hardly ever talk about them. Taken alone, their effects might be minor compared with those of carbon dioxide, but together, these gases add significantly to the challenge of addressing climate change. Casey Crownhart, our senior climate reporter, has drawn up a quick cheat sheet on the most important greenhouse gases you need to know about. This story is from The Spark, our weekly climate technology newsletter.