Materials
Emergent morphogenesis via planar fabrication enabled by a reduced model of composites
Zhang, Yupeng, Alon, Adam, Jawed, M. Khalid
The ability to engineer complex three-dimensional shapes from planar sheets with precise, programmable control underpins emerging technologies in soft robotics, reconfigurable devices, and functional materials. Here, we present a reduced-order numerical and experimental framework for a bilayer system consisting of a stimuli-responsive thermoplastic sheet (Shrinky Dink) bonded to a kirigami-patterned, inert plastic layer. Upon uniform heating, the active layer contracts while the patterned layer constrains in-plane stretch but allows out-of-plane bending, yielding programmable 3D morphologies from simple planar precursors. Our approach enables efficient computational design and scalable manufacturing of 3D forms with a single-layer reduced model that captures the coupled mechanics of stretching and bending. Unlike traditional bilayer modeling, our framework collapses the multilayer composite into a single layer of nodes and elements, reducing the degrees of freedom and enabling simulation on a 2D geometry. This is achieved by introducing a novel energy formulation that captures the coupling between in-plane stretch mismatch and out-of-plane bending - extending beyond simple isotropic linear elastic models. Experimentally, we establish a fully planar, repeatable fabrication protocol using a stimuli-responsive thermoplastic and a laser-cut inert plastic layer. The programmed strain mismatch drives an array of 3D morphologies, such as bowls, canoes, and flower petals, all verified by both simulation and physical prototypes.
Hyperspectral Imaging
Hong, Danfeng, Li, Chenyu, Yokoya, Naoto, Zhang, Bing, Jia, Xiuping, Plaza, Antonio, Gamba, Paolo, Benediktsson, Jon Atli, Chanussot, Jocelyn
Hyperspectral imaging (HSI) is an advanced sensing modality that simultaneously captures spatial and spectral information, enabling non-invasive, label-free analysis of material, chemical, and biological properties. This Primer presents a comprehensive overview of HSI, from the underlying physical principles and sensor architectures to key steps in data acquisition, calibration, and correction. We summarize common data structures and highlight classical and modern analysis methods, including dimensionality reduction, classification, spectral unmixing, and AI-driven techniques such as deep learning. Representative applications across Earth observation, precision agriculture, biomedicine, industrial inspection, cultural heritage, and security are also discussed, emphasizing HSI's ability to uncover sub-visual features for advanced monitoring, diagnostics, and decision-making. Persistent challenges, such as hardware trade-offs, acquisition variability, and the complexity of high-dimensional data, are examined alongside emerging solutions, including computational imaging, physics-informed modeling, cross-modal fusion, and self-supervised learning. Best practices for dataset sharing, reproducibility, and metadata documentation are further highlighted to support transparency and reuse. Looking ahead, we explore future directions toward scalable, real-time, and embedded HSI systems, driven by sensor miniaturization, self-supervised learning, and foundation models. As HSI evolves into a general-purpose, cross-disciplinary platform, it holds promise for transformative applications in science, technology, and society.
Multi-agent systems for chemical engineering: A review and perspective
Rupprecht, Sophia, Gao, Qinghe, Karia, Tanuj, Schweidtmann, Artur M.
Large language model (LLM)-based multi-agent systems (MASs) are a recent but rapidly evolving technology with the potential to transform chemical engineering by decomposing complex workflows into teams of collaborative agents with specialized knowledge and tools. This review surveys the state-of-the-art of MAS within chemical engineering. While early studies demonstrate promising results, scientific challenges remain, including the design of tailored architectures, integration of heterogeneous data modalities, development of foundation models with domain-specific modalities, and strategies for ensuring transparency, safety, and environmental impact. As a young but fast-moving field, MASs offer exciting opportunities to rethink chemical engineering workflows.
Generative Inversion for Property-Targeted Materials Design: Application to Shape Memory Alloys
Li, Cheng, Danga, Pengfei, Xiana, Yuehui, Zhou, Yumei, Shi, Bofeng, Ding, Xiangdong, Suna, Jun, Xue, Dezhen
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 ยฐC, 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.
PCA-Guided Autoencoding for Structured Dimensionality Reduction in Active Infrared Thermography
Salah, Mohammed, Saeed, Numan, Svetinovic, Davor, Sfarra, Stefano, Omar, Mohammed, Abdulrahman, Yusra
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.
From Field to Drone: Domain Drift Tolerant Automated Multi-Species and Damage Plant Semantic Segmentation for Herbicide Trials
Picon, Artzai, Eguskiza, Itziar, Mugica, Daniel, Romero, Javier, Jimenez, Carlos Javier, White, Eric, Do-Lago-Junqueira, Gabriel, Klukas, Christian, Navarra-Mestre, Ramon
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.
Imagine fire-safe communities where residents can live and evacuate in record time
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.
Evaluation of Coordination Strategies for Underground Automated Vehicle Fleets in Mixed Traffic
Mironenko, Olga, Banaee, Hadi, Loutfi, Amy
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.
Leveraging Deep Learning for Physical Model Bias of Global Air Quality Estimates
Doerksen, Kelsey, Marchetti, Yuliya, Bowman, Kevin, Lu, Steven, Montgomery, James, Gal, Yarin, Kalaitzis, Freddie, Miyazaki, Kazuyuki
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 Transform Organic Synthesis From Reaction Prediction to Automation
Tharwani, Kartar Kumar Lohana, Kumar, Rajesh, Sumita, null, Ahmed, Numan, Tang, Yong
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.