The design of shape memory alloys (SMAs) with high transformation temperatures and large mechanical work output remains a longstanding challenge in functional materials engineering. Here, we introduce a data-driven framework based on generative adversarial network (GAN) inversion for the inverse design of high-performance SMAs. By coupling a pretrained GAN with a property prediction model, we perform gradient-based latent space optimization to directly generate candidate alloy compositions and processing parameters that satisfy user-defined property targets. The framework is experimentally validated through the synthesis and characterization of five NiTi-based SMAs. Among them, the Ni$_{49.8}$Ti$_{26.4}$Hf$_{18.6}$Zr$_{5.2}$ alloy achieves a high transformation temperature of 404 $^\circ$C, a large mechanical work output of 9.9 J/cm$^3$, a transformation enthalpy of 43 J/g , and a thermal hysteresis of 29 °C, outperforming existing NiTi alloys. The enhanced performance is attributed to a pronounced transformation volume change and a finely dispersed of Ti$_2$Ni-type precipitates, enabled by sluggish Zr and Hf diffusion, and semi-coherent interfaces with localized strain fields. This study demonstrates that GAN inversion offers an efficient and generalizable route for the property-targeted discovery of complex alloys.

Active Infrared thermography (AIRT) is a widely adopted non-destructive testing (NDT) technique for detecting subsurface anomalies in industrial components. Due to the high dimensionality of AIRT data, current approaches employ non-linear autoencoders (AEs) for dimensionality reduction. However, the latent space learned by AIRT AEs lacks structure, limiting their effectiveness in downstream defect characterization tasks. To address this limitation, this paper proposes a principal component analysis guided (PCA-guided) autoencoding framework for structured dimensionality reduction to capture intricate, non-linear features in thermographic signals while enforcing a structured latent space. A novel loss function, PCA distillation loss, is introduced to guide AIRT AEs to align the latent representation with structured PCA components while capturing the intricate, non-linear patterns in thermographic signals. To evaluate the utility of the learned, structured latent space, we propose a neural network-based evaluation metric that assesses its suitability for defect characterization. Experimental results show that the proposed PCA-guided AE outperforms state-of-the-art dimensionality reduction methods on PVC, CFRP, and PLA samples in terms of contrast, signal-to-noise ratio (SNR), and neural network-based metrics.

Field trials are vital in herbicide research and development to assess effects on crops and weeds under varied conditions. Traditionally, evaluations rely on manual visual assessments, which are time-consuming, labor-intensive, and subjective. Automating species and damage identification is challenging due to subtle visual differences, but it can greatly enhance efficiency and consistency. We present an improved segmentation model combining a general-purpose self-supervised visual model with hierarchical inference based on botanical taxonomy. Trained on a multi-year dataset (2018-2020) from Germany and Spain using digital and mobile cameras, the model was tested on digital camera data (year 2023) and drone imagery from the United States, Germany, and Spain (year 2024) to evaluate robustness under domain shift. This cross-device evaluation marks a key step in assessing generalization across platforms of the model. Our model significantly improved species identification (F1-score: 0.52 to 0.85, R-squared: 0.75 to 0.98) and damage classification (F1-score: 0.28 to 0.44, R-squared: 0.71 to 0.87) over prior methods. Under domain shift (drone images), it maintained strong performance with moderate degradation (species: F1-score 0.60, R-squared 0.80; damage: F1-score 0.41, R-squared 0.62), where earlier models failed. These results confirm the model's robustness and real-world applicability. It is now deployed in BASF's phenotyping pipeline, enabling large-scale, automated crop and weed monitoring across diverse geographies.

Twenty-five years from today, Santa Ana winds will scream through Los Angeles on a dry autumn morning, turning a small hillside campfire into a deadly, fast-moving blaze. At that moment, the city will spring into action. Los Angeles knows how to weather a crisis -- or two or three. Angelenos are tapping into that resilience, striving to build a city for everyone. Satellites will team up with anemometers, pairing live aerial footage with wind patterns to tell firefighters exactly where the fire is going.

This study investigates the efficiency and safety outcomes of implementing different adaptive coordination models for automated vehicle (AV) fleets, managed by a centralized coordinator that dynamically responds to human-controlled vehicle behavior. The simulated scenarios replicate an underground mining environment characterized by narrow tunnels with limited connectivity. To address the unique challenges of such settings, we propose a novel metric - Path Overlap Density (POD) - to predict efficiency and potentially the safety performance of AV fleets. The study also explores the impact of map features on AV fleets performance. The results demonstrate that both AV fleet coordination strategies and underground tunnel network characteristics significantly influence overall system performance. While map features are critical for optimizing efficiency, adaptive coordination strategies are essential for ensuring safe operations.

Air pollution is the world's largest environmental risk factor for human disease and premature death, resulting in more than 6 million permature deaths in 2019. Currently, there is still a challenge to model one of the most important air pollutants, surface ozone, particularly at scales relevant for human health impacts, with the drivers of global ozone trends at these scales largely unknown, limiting the practical use of physics-based models. We employ a 2D Convolutional Neural Network based architecture that estimate surface ozone MOMO-Chem model residuals, referred to as model bias. We demonstrate the potential of this technique in North America and Europe, highlighting its ability better to capture physical model residuals compared to a traditional machine learning method. We assess the impact of incorporating land use information from high-resolution satellite imagery to improve model estimates. Importantly, we discuss how our results can improve our scientific understanding of the factors impacting ozone bias at urban scales that can be used to improve environmental policy.

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction outcomes and even instruct robots that execute experiments without human supervision. Here we survey the milestones that turned LLMs from speculative tools into practical lab partners. We show how coupling LLMs with graph neural networks, quantum calculations and real-time spectroscopy shrinks discovery cycles and supports greener, data-driven chemistry. We discuss limitations, including biased datasets, opaque reasoning and the need for safety gates that prevent unintentional hazards. Finally, we outline community initiatives open benchmarks, federated learning and explainable interfaces that aim to democratize access while keeping humans firmly in control. These advances chart a path towards rapid, reliable and inclusive molecular innovation powered by artificial intelligence and automation.

This story was originally published by the Guardian and is reproduced here as part of the Climate Desk collaboration. Chemical pollution is "a threat to the thriving of humans and nature of a similar order as climate change" but decades behind global heating in terms of public awareness and action, a report has warned. The industrial economy has created more than 100 million "novel entities," or chemicals not found in nature, with somewhere between 40,000 and 350,000 in commercial use and production, the report says. But the environmental and human health effects of this widespread contamination of the biosphere are not widely appreciated, in spite of a growing body of evidence linking chemical toxicity with effects ranging from ADHD to infertility to cancer. "I suppose that's the biggest surprise for some people," Harry Macpherson, senior climate associate at Deep Science Ventures (DSV), which carried out the research, told the Guardian.

Distance-based classifiers, such as k-nearest neighbors and support vector machines, continue to be a workhorse of machine learning, widely used in science and industry. In practice, to derive insights from these models, it is also important to ensure that their predictions are explainable. While the field of Explainable AI has supplied methods that are in principle applicable to any model, it has also emphasized the usefulness of latent structures (e.g. the sequence of layers in a neural network) to produce explanations. In this paper, we contribute by uncovering a hidden neural network structure in distance-based classifiers (consisting of linear detection units combined with nonlinear pooling layers) upon which Explainable AI techniques such as layer-wise relevance propagation (LRP) become applicable. Through quantitative evaluations, we demonstrate the advantage of our novel explanation approach over several baselines. We also show the overall usefulness of explaining distance-based models through two practical use cases.

Neural Radiance Field (NeRF)-based segmentation methods focus on object semantics and rely solely on RGB data, lacking intrinsic material properties. This limitation restricts accurate material perception, which is crucial for robotics, augmented reality, simulation, and other applications. W e introduce UnMix-NeRF, a framework that integrates spectral unmixing into NeRF, enabling joint hy-perspectral novel view synthesis and unsupervised material segmentation. Our method models spectral reflectance via diffuse and specular components, where a learned dictionary of global endmembers represents pure material signatures, and per-point abundances capture their distribution. F or material segmentation, we use spectral signature predictions along learned endmembers, allowing unsupervised material clustering. Additionally, UnMix-NeRF enables scene editing by modifying learned endmember dictionaries for flexible material-based appearance manipulation.