Geometric graph is a special kind of graph with geometric features, which is vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections, making them ineffectively processed by current Graph Neural Networks (GNNs). To tackle this issue, researchers proposed a variety of Geometric Graph Neural Networks equipped with invariant/equivariant properties to better characterize the geometry and topology of geometric graphs. Given the current progress in this field, it is imperative to conduct a comprehensive survey of data structures, models, and applications related to geometric GNNs. In this paper, based on the necessary but concise mathematical preliminaries, we provide a unified view of existing models from the geometric message passing perspective. Additionally, we summarize the applications as well as the related datasets to facilitate later research for methodology development and experimental evaluation. We also discuss the challenges and future potential directions of Geometric GNNs at the end of this survey.

This paper investigates the use of large language models (LLMs) for extracting sample lists of polymer nanocomposites (PNCs) from full-length materials science research papers. The challenge lies in the complex nature of PNC samples, which have numerous attributes scattered throughout the text. The complexity of annotating detailed information on PNCs limits the availability of data, making conventional document-level relation extraction techniques impractical due to the challenge in creating comprehensive named entity span annotations. To address this, we introduce a new benchmark and an evaluation technique for this task and explore different prompting strategies in a zero-shot manner. We also incorporate self-consistency to improve the performance. Our findings show that even advanced LLMs struggle to extract all of the samples from an article. Finally, we analyze the errors encountered in this process, categorizing them into three main challenges, and discuss potential strategies for future research to overcome them.

A combination of AI, a wild 1970s plan to build underwater cities, and a designer creating furniture on the seabed around the Bahamas might be the solution to the widespread destruction of coral reefs. It could even save the world from coastal erosion. Industrial designer Tom Dixon and technologist Suhair Khan, founder of AI incubator Open-Ended Design, are collaborating on regenerating the ocean floor. "Coral reefs are endangered by climate change, shipping, development, and construction--but they're vital," Khan explains. "They cover 1 percent of the ocean floor, but they're home to more than 25 percent of marine life."

In this work, we propose a Distributional Semantic resource enriched with linguistic and lexical information extracted from electronic dictionaries, designed to address the challenge of bridging the gap between the continuous semantic values represented by distributional vectors and the discrete descriptions offered by general semantics theory. Recently, many researchers have concentrated on the nexus between embeddings and a comprehensive theory of semantics and meaning. This often involves decoding the representation of word meanings in Distributional Models into a set of discrete, manually constructed properties such as semantic primitives or features, using neural decoding techniques. Our approach introduces an alternative strategy grounded in linguistic data. We have developed a collection of domain-specific co-occurrence matrices, derived from two sources: a classification of Italian nouns categorized into 4 semantic traits and 20 concrete noun sub-categories, and a list of Italian verbs classified according to their semantic classes. In these matrices, the co-occurrence values for each word are calculated exclusively with a defined set of words pertinent to a particular lexical domain. The resource comprises 21 domain-specific matrices, one comprehensive matrix, and a Graphical User Interface. Our model facilitates the generation of reasoned semantic descriptions of concepts by selecting matrices directly associated with concrete conceptual knowledge, such as a matrix based on location nouns and the concept of animal habitats. We assessed the utility of the resource through two experiments, achieving promising outcomes in both: the automatic classification of animal nouns and the extraction of animal features.

Although the multi-jointed underactuated manipulator is highly dexterous, its grasping capacity does not match that of the parallel jaw gripper. This work introduces a fractal gripper to enhance the grasping capacity of multi-joint underactuated manipulators, preserving their passive clamping features. We describe in detail the working principle and manufacturing process of the fractal gripper. This work, inspired by the 'Fractal Vise' structure, resulted in the invention of a fractal gripper with mode switching capabilities. The fractal gripper inherits the inherent adaptive properties of the fractal structure and realizes the self-resetting function by integrating spring into the original design, thereby enhancing the efficiency of object grasping tasks. The fractal gripper prevents object damage by distributing pressure evenly and applying it at multiple points through its fractal structure during closure. Objects of various shapes are effectively grasped by the fractal gripper, which ensures a safe and secure grasp. The superior performance was provided by the force distribution characteristics of the fractal gripper. By applying the flexible polymer PDMS, which possesses superior elasticity, to the fractal structure's wrapping surface, potential scratching during grasping is effectively prevented, thus protecting the object's geometric surface. Grab experiments with objects of diverse shapes and sizes confirm fractal gripper multi-scale adaptability and superior grasping stability.

Posidonia oceanica is a protected endemic seagrass of Mediterranean sea that fosters biodiversity, stores carbon, releases oxygen, and provides habitat to numerous sea organisms. Leveraging augmented research, we collected a comprehensive dataset of 174 features compiled from diverse data sources. Through machine learning analysis, we discovered the existence of a robust correlation between the exact location of P. oceanica and water biogeochemical properties. The model's feature importance, showed that carbon-related variables as net biomass production and downward surface mass flux of carbon dioxide have their values altered in the areas with P. oceanica, which in turn can be used for indirect location of P. oceanica meadows. The study provides the evidence of the plant's ability to exert a global impact on the environment and underscores the crucial role of this plant in sea ecosystems, emphasizing the need for its conservation and management.

Implicit Neural representations (INRs) are widely used for scientific data reduction and visualization by modeling the function that maps a spatial location to a data value. Without any prior knowledge about the spatial distribution of values, we are forced to sample densely from INRs to perform visualization tasks like iso-surface extraction which can be very computationally expensive. Recently, range analysis has shown promising results in improving the efficiency of geometric queries, such as ray casting and hierarchical mesh extraction, on INRs for 3D geometries by using arithmetic rules to bound the output range of the network within a spatial region. However, the analysis bounds are often too conservative for complex scientific data. In this paper, we present an improved technique for range analysis by revisiting the arithmetic rules and analyzing the probability distribution of the network output within a spatial region. We model this distribution efficiently as a Gaussian distribution by applying the central limit theorem. Excluding low probability values, we are able to tighten the output bounds, resulting in a more accurate estimation of the value range, and hence more accurate identification of iso-surface cells and more efficient iso-surface extraction on INRs. Our approach demonstrates superior performance in terms of the iso-surface extraction time on four datasets compared to the original range analysis method and can also be generalized to other geometric query tasks.

This paper investigates the use of probabilistic neural networks (PNNs) to model aleatoric uncertainty, which refers to the inherent variability in the input-output relationships of a system, often characterized by unequal variance or heteroscedasticity. Unlike traditional neural networks that produce deterministic outputs, PNNs generate probability distributions for the target variable, allowing the determination of both predicted means and intervals in regression scenarios. Contributions of this paper include the development of a probabilistic distance metric to optimize PNN architecture, and the deployment of PNNs in controlled data sets as well as a practical material science case involving fiber-reinforced composites. The findings confirm that PNNs effectively model aleatoric uncertainty, proving to be more appropriate than the commonly employed Gaussian process regression for this purpose. Specifically, in a real-world scientific machine learning context, PNNs yield remarkably accurate output mean estimates with R-squared scores approaching 0.97, and their predicted intervals exhibit a high correlation coefficient of nearly 0.80, closely matching observed data intervals. Hence, this research contributes to the ongoing exploration of leveraging the sophisticated representational capacity of neural networks to delineate complex input-output relationships in scientific problems.

Advanced modern technology and industrial sustainability theme have contributed implementing composite materials for various industrial applications. Green composites are among the desired alternatives for the green products. However, to properly control the performance of the green composites, predicting their constituents properties are of paramount importance. This work presents an innovative evolving genetic programming tree models for predicting the mechanical properties of natural fibers based upon several inherent chemical and physical properties. Cellulose, hemicellulose, lignin and moisture contents as well as the Microfibrillar angle of various natural fibers were considered to establish the prediction models. A one-hold-out methodology was applied for training/testing phases. Robust models were developed to predict the tensile strength, Young's modulus, and the elongation at break properties of the natural fibers. It was revealed that Microfibrillar angle was dominant and capable of determining the ultimate tensile strength of the natural fibers by 44.7% comparable to other considered properties, while the impact of cellulose content in the model was only 35.6%. This in order would facilitate utilizing artificial intelligence in predicting the overall mechanical properties of natural fibers without experimental efforts and cost to enhance developing better green composite materials for various industrial applications.

Chemical synthesis, which is crucial for advancing material synthesis and drug discovery, impacts various sectors including environmental science and healthcare. The rise of technology in chemistry has generated extensive chemical data, challenging researchers to discern patterns and refine synthesis processes. Artificial intelligence (AI) helps by analyzing data to optimize synthesis and increase yields. However, AI faces challenges in processing literature data due to the unstructured format and diverse writing style of chemical literature. To overcome these difficulties, we introduce an end-to-end AI agent framework capable of high-fidelity extraction from extensive chemical literature. This AI agent employs large language models (LLMs) for prompt generation and iterative optimization. It functions as a chemistry assistant, automating data collection and analysis, thereby saving manpower and enhancing performance. Our framework's efficacy is evaluated using accuracy, recall, and F1 score of reaction condition data, and we compared our method with human experts in terms of content correctness and time efficiency. The proposed approach marks a significant advancement in automating chemical literature extraction and demonstrates the potential for AI to revolutionize data management and utilization in chemistry.