Chemist Omar Yaghi invented materials called MOFs, a few grams of which have the surface area of a football field. In school, we learn about the Stone Age, the Bronze Age - and we are currently in a silicon age characterised by computers and phones. What might define the next age? Omar Yaghi at the University of California, Berkeley, thinks a family of materials he helped pioneer in the 1990s has a good shot. They are metal-organic frameworks (MOFs), and working out how to make them earned him a share of the 2025 Nobel prize in chemistry .

Industrial X-ray computed tomography (XCT) is a powerful tool for non-destructive characterization of materials and manufactured components. XCT commonly accompanied by advanced image analysis and computer vision algorithms to extract relevant information from the images. Traditional computer vision models often struggle due to noise, resolution variability, and complex internal structures, particularly in scientific imaging applications. State-of-the-art foundational models, like the Segment Anything Model (SAM)-designed for general-purpose image segmentation-have revolutionized image segmentation across various domains, yet their application in specialized fields like materials science remains under-explored. In this work, we explore the application and limitations of SAM for industrial X-ray CT inspection of additive manufacturing components. We demonstrate that while SAM shows promise, it struggles with out-of-distribution data, multiclass segmentation, and computational efficiency during fine-tuning. To address these issues, we propose a fine-tuning strategy utilizing parameter-efficient techniques, specifically Conv-LoRa, to adapt SAM for material-specific datasets. Additionally, we leverage generative adversarial network (GAN)-generated data to enhance the training process and improve the model's segmentation performance on complex X-ray CT data. Our experimental results highlight the importance of tailored segmentation models for accurate inspection, showing that fine-tuning SAM on domain-specific scientific imaging data significantly improves performance. However, despite improvements, the model's ability to generalize across diverse datasets remains limited, highlighting the need for further research into robust, scalable solutions for domain-specific segmentation tasks.

The presence of gas pores in metal feedstock powder for additive manufacturing greatly affects the final AM product. Since current porosity analysis often involves lengthy X-ray computed tomography (XCT) scans with a full rotation around the sample, motivation exists to explore methods that allow for high throughput -- possibly enabling in-line porosity analysis during manufacturing. Through labelling pore pixels on single 2D radiographs of powders, this work seeks to simulate such future efficient setups. High segmentation accuracy is achieved by combining a model of X-ray attenuation through particles with a variant of the widely applied UNet architecture; notably, F1-score increases by $11.4\%$ compared to the baseline UNet. The proposed pore segmentation is enabled by: 1) pretraining on synthetic data, 2) making tight particle cutouts, and 3) subtracting an ideal particle without pores generated from a distance map inspired by Lambert-Beers law. This paper explores four image processing methods, where the fastest (yet still unoptimized) segments a particle in mean $0.014s$ time with F1-score $0.78$, and the most accurate in $0.291s$ with F1-score $0.87$. Due to their scalable nature, these strategies can be involved in making high throughput porosity analysis of metal feedstock powder for additive manufacturing.

We present a deep learning approach for quantifying and localizing ex-situ porosity within Laser Powder Bed Fusion fabricated samples utilizing in-situ thermal image monitoring data. Our goal is to build the real time porosity map of parts based on thermal images acquired during the build. The quantification task builds upon the established Convolutional Neural Network model architecture to predict pore count and the localization task leverages the spatial and temporal attention mechanisms of the novel Video Vision Transformer model to indicate areas of expected porosity. Our model for porosity quantification achieved a $R^2$ score of 0.57 and our model for porosity localization produced an average IoU score of 0.32 and a maximum of 1.0. This work is setting the foundations of part porosity "Digital Twins" based on additive manufacturing monitoring data and can be applied downstream to reduce time-intensive post-inspection and testing activities during part qualification and certification. In addition, we seek to accelerate the acquisition of crucial insights normally only available through ex-situ part evaluation by means of machine learning analysis of in-situ process monitoring data.

The ability to efficiently predict adsorption properties of zeolites can be of large benefit in accelerating the design process of novel materials. The existing configuration space for these materials is wide, while existing molecular simulation methods are computationally expensive. In this work, we propose a model which is 4 to 5 orders of magnitude faster at adsorption properties compared to molecular simulations. To validate the model, we generated datasets containing various aluminium configurations for the MOR, MFI, RHO and ITW zeolites along with their heat of adsorptions and Henry coefficients for CO$_2$, obtained from Monte Carlo simulations. The predictions obtained from the Machine Learning model are in agreement with the values obtained from the Monte Carlo simulations, confirming that the model can be used for property prediction. Furthermore, we show that the model can be used for identifying adsorption sites. Finally, we evaluate the capability of our model for generating novel zeolite configurations by using it in combination with a genetic algorithm.

Efficiently predicting properties of porous crystalline materials has great potential to accelerate the high throughput screening process for developing new materials, as simulations carried out using first principles model are often computationally expensive. To effectively make use of Deep Learning methods to model these materials, we need to utilize the symmetries present in the crystals, which are defined by their space group. Existing methods for crystal property prediction either have symmetry constraints that are too restrictive or only incorporate symmetries between unit cells. In addition, these models do not explicitly model the porous structure of the crystal. In this paper, we develop a model which incorporates the symmetries of the unit cell of a crystal in its architecture and explicitly models the porous structure. We evaluate our model by predicting the heat of adsorption of CO$_2$ for different configurations of the mordenite zeolite. Our results confirm that our method performs better than existing methods for crystal property prediction and that the inclusion of pores results in a more efficient model.

Detection and characterization of hidden defects, impurities, and damages in layered composites like Fibre laminates, e.g., Fibre Metal Laminates (FML), as well as in monolithic materials, e.g., aluminum die casting materials, is still a challenge. This work discusses methods and challenges in data-driven modeling of automated damage and defect detectors using X-ray single- and multi-projection (CT) images. Three main issues are identified: Data and feature variance, data feature labeling (for supervised machine learning), and the missing ground truth. It will be shown that only simulation of data can deliver a ground truth data set and accurate labeling. Noise has significant impact on the feature detection and will be discussed. Data-driven feature detectors are implemented with semantic pixel- or z-profile Convolutional Neural Networks and LSTM Auto-encoders. Data is measured with three different devices: A low-quality and low-cost (Low-Q), a mid- and a high-quality (micro-CT, Mid-/High-Q) device. The goals of this work are the training of robust and generalized feature detectors with synthetic data and the transition from High- and Mid-Q laboratory measuring technologies towards in-field usable technologies and methods.

Additive Manufacturing (AM) has emerged as a manufacturing process that allows the direct production of samples from digital models. To ensure that quality standards are met in all manufactured samples of a batch, X-ray computed tomography (X-CT) is often used combined with automated anomaly detection. For the latter, deep learning (DL) anomaly detection techniques are increasingly, as they can be trained to be robust to the material being analysed and resilient towards poor image quality. Unfortunately, most recent and popular DL models have been developed for 2D image processing, thereby disregarding valuable volumetric information. This study revisits recent supervised (UNet, UNet++, UNet 3+, MSS-UNet) and unsupervised (VAE, ceVAE, gmVAE, vqVAE) DL models for porosity analysis of AM samples from X-CT images and extends them to accept 3D input data with a 3D-patch pipeline for lower computational requirements, improved efficiency and generalisability. The supervised models were trained using the Focal Tversky loss to address class imbalance that arises from the low porosity in the training datasets. The output of the unsupervised models is post-processed to reduce misclassifications caused by their inability to adequately represent the object surface. The findings were cross-validated in a 5-fold fashion and include: a performance benchmark of the DL models, an evaluation of the post-processing algorithm, an evaluation of the effect of training supervised models with the output of unsupervised models. In a final performance benchmark on a test set with poor image quality, the best performing supervised model was UNet++ with an average precision of 0.751 $\pm$ 0.030, while the best unsupervised model was the post-processed ceVAE with 0.830 $\pm$ 0.003. The VAE/ceVAE models demonstrated superior capabilities, particularly when leveraging post-processing techniques.

Abstract: As the last few years have seen an increase in online hostility and polarization both, we need to move beyond the fack-checking reflex or the praise for better moderation on social networking sites (SNS) and investigate their impact on social structures and social cohesion. In particular, the role of recommender systems deployed at large scale by digital platforms such as Facebook or Twitter has been overlooked. This paper draws on the literature on cognitive science, digital media, and opinion dynamics to propose a faithful replica of the entanglement between recommender systems, opinion dynamics and users' cognitive biais on SNSs like Twitter that is calibrated over a large scale longitudinal database of tweets from political activists. This model makes it possible to compare the consequences of various recommendation algorithms on the social fabric and to quantify their interaction with some major cognitive bias. In particular, we demonstrate that the recommender systems that seek to solely maximize users' engagement necessarily lead to an overexposure of users to negative content (up to 300\% for some of them), a phenomenon called algorithmic negativity bias, to a polarization of the opinion landscape, and to a concentration of social power in the hands of the most toxic users.

OpenAI has recently released their latest Artificial Intelligence (AI) chatbot prototype powered by a model from the GPT-3.5 series. It provides a service where you can ask questions and it comes back with a detailed answer in a conversational way. Almost as if you were talking to a human! ChatGPT is based on a trained model using Reinforcement Learning from Human Feedback which allows it to simulate conversation, answer follow-up questions and even admit to mistakes. Even though OpenAI's ChatGPT has recently taken the internet by storm, is it as good as it seems when it comes to dealing with a niche topic?