What does materials science look like in the "Age of Artificial Intelligence?" Each materials domain-synthesis, characterization, and modeling-has a different answer to this question, motivated by unique challenges and constraints. This work focuses on the tremendous potential of autonomous characterization within electron microscopy. We present our recent advancements in developing domain-aware, multimodal models for microscopy analysis capable of describing complex atomic systems. We then address the critical gap between the theoretical promise of autonomous microscopy and its current practical limitations, showcasing recent successes while highlighting the necessary developments to achieve robust, real-world autonomy.

The rapid advancements in data-driven methodologies have underscored the critical importance of ensuring data quality. Consequently, detecting out-of-distribution (OOD) data has emerged as an essential task to maintain the reliability and robustness of data-driven models, in general, and machine and deep learning models, in particular. In this study, we leveraged the convex hull property of a dataset and the fact that anomalies highly contribute to the increase of the CH's volume to propose a novel anomaly detection algorithm. Our algorithm computes the CH's volume as an increasing number of data points are removed from the dataset to define a decision line between OOD and in-distribution data points. We compared the proposed algorithm to seven widely used anomaly detection algorithms over ten datasets, showing comparable results for state-of-the-art (SOTA) algorithms. Moreover, we show that with a computationally cheap and simple check, one can detect datasets that are well-suited for the proposed algorithm which outperforms the SOTA anomaly detection algorithms.

Interferometric Synthetic Aperture Radar (InSAR) technology uses satellite radar to detect surface deformation patterns and monitor earthquake impacts on buildings. While vital for emergency response planning, extracting multi-class building damage classifications from InSAR data faces challenges: overlapping damage signatures with environmental noise, computational complexity in multi-class scenarios, and the need for rapid regional-scale processing. Our novel multi-class variational causal Bayesian inference framework with quadratic variational bounds provides rigorous approximations while ensuring efficiency. By integrating InSAR observations with USGS ground failure models and building fragility functions, our approach separates building damage signals while maintaining computational efficiency through strategic pruning. Evaluation across five major earthquakes (Haiti 2021, Puerto Rico 2020, Zagreb 2020, Italy 2016, Ridgecrest 2019) shows improved damage classification accuracy (AUC: 0.94-0.96), achieving up to 35.7% improvement over existing methods. Our approach maintains high accuracy (AUC > 0.93) across all damage categories while reducing computational overhead by over 40% without requiring extensive ground truth data.

Time series forecasting has long been a focus of research across diverse fields, including economics, energy, healthcare, and traffic management. Recent works have introduced innovative architectures for time series models, such as the Time-Series Mixer (TSMixer), which leverages multi-layer perceptrons (MLPs) to enhance prediction accuracy by effectively capturing both spatial and temporal dependencies within the data. In this paper, we investigate the capabilities of the Kolmogorov-Arnold Networks (KANs) for time-series forecasting by modifying TSMixer with a KAN layer (TSKANMixer). Experimental results demonstrate that TSKANMixer tends to improve prediction accuracy over the original TSMixer across multiple datasets, ranking among the top-performing models compared to other time series approaches. Our results show that the KANs are promising alternatives to improve the performance of time series forecasting by replacing or extending traditional MLPs.

Training on edge devices poses several challenges as these devices are generally resource-constrained, especially in terms of power. State-of-the-art techniques at the device level reduce the GPU frequency to enforce power constraints, leading to a significant increase in training time. To accelerate training, we propose to jointly adjust the system and application parameters (in our case, the GPU frequency and the batch size of the training task) while adhering to the power constraints on devices. We introduce a novel cross-layer methodology that combines predictions of batch size efficiency and device profiling to achieve the desired optimization. Our evaluation on real hardware shows that our method outperforms the current baselines that depend on state of the art techniques, reducing the training time by $2.4\times$ with results very close to optimal. Our measurements also indicate a substantial reduction in the overall energy used for the training process. These gains are achieved without reduction in the performance of the trained model.

Snow avalanches present significant risks to human life and infrastructure, particularly in mountainous regions, making effective monitoring crucial. Traditional monitoring methods, such as field observations, are limited by accessibility, weather conditions, and cost. Satellite-borne Synthetic Aperture Radar (SAR) data has become an important tool for large-scale avalanche detection, as it can capture data in all weather conditions and across remote areas. However, traditional processing methods struggle with the complexity and variability of avalanches. This chapter reviews the application of deep learning for detecting and segmenting snow avalanches from SAR data. Early efforts focused on the binary classification of SAR images, while recent advances have enabled pixel-level segmentation, providing greater accuracy and spatial resolution. A case study using Sentinel-1 SAR data demonstrates the effectiveness of deep learning models for avalanche segmentation, achieving superior results over traditional methods. We also present an extension of this work, testing recent state-of-the-art segmentation architectures on an expanded dataset of over 4,500 annotated SAR images. The best-performing model among those tested was applied for large-scale avalanche detection across the whole of Norway, revealing important spatial and temporal patterns over several winter seasons.

Groundwater is eventually undermined by human exercises, such as fast industrialization, urbanization, over-extraction, and contamination from agrarian and urban sources. From among the different contaminants, the presence of heavy metals like cadmium (Cd), chromium (Cr), arsenic (As), and lead (Pb) proves to have serious dangers when present in huge concentrations in groundwater. Long-term usage of these poisonous components may lead to neurological disorders, kidney failure and different sorts of cancer. To address these issues, this study developed a machine learning-based predictive model to evaluate the Groundwater Quality Index (GWQI) and identify the main contaminants which are affecting the water quality. It has been achieved with the help of a hybrid machine learning model i.e. LCBoost Fusion . The model has undergone several processes like data preprocessing, hyperparameter tuning using Differential Evolution (DE) optimization, and evaluation through cross-validation. The LCBoost Fusion model outperforms individual models (CatBoost and LightGBM), by achieving low RMSE (0.6829), MSE (0.5102), MAE (0.3147) and a high R$^2$ score of 0.9809. Feature importance analysis highlights Potassium (K), Fluoride (F) and Total Hardness (TH) as the most influential indicators of groundwater contamination. This research successfully demonstrates the application of machine learning in assessing groundwater quality risks in Odisha. The proposed LCBoost Fusion model offers a reliable and efficient approach for real-time groundwater monitoring and risk mitigation. These findings will help the environmental organizations and the policy makers to map out targeted places for sustainable groundwater management. Future work will focus on using remote sensing data and developing an interactive decision-making system for groundwater quality assessment.

The source localization problem in graph information propagation is crucial for managing various network disruptions, from misinformation spread to infrastructure failures. While recent deep generative approaches have shown promise in this domain, their effectiveness is limited by the scarcity of real-world propagation data. This paper introduces SIDSL (\textbf{S}tructure-prior \textbf{I}nformed \textbf{D}iffusion model for \textbf{S}ource \textbf{L}ocalization), a novel framework that addresses three key challenges in limited-data scenarios: unknown propagation patterns, complex topology-propagation relationships, and class imbalance between source and non-source nodes. SIDSL incorporates topology-aware priors through graph label propagation and employs a propagation-enhanced conditional denoiser with a GNN-parameterized label propagation module (GNN-LP). Additionally, we propose a structure-prior biased denoising scheme that initializes from structure-based source estimations rather than random noise, effectively countering class imbalance issues. Experimental results across four real-world datasets demonstrate SIDSL's superior performance, achieving 7.5-13.3% improvements in F1 scores compared to state-of-the-art methods. Notably, when pretrained with simulation data of synthetic patterns, SIDSL maintains robust performance with only 10% of training data, surpassing baselines by more than 18.8%. These results highlight SIDSL's effectiveness in real-world applications where labeled data is scarce.

Improvements in the area of large language models have shifted towards the construction of models capable of using external tools and interpreting their outputs. These so-called web agents have the ability to interact autonomously with the internet. This allows them to become powerful daily assistants handling time-consuming, repetitive tasks while supporting users in their daily activities. While web agent research is thriving, the sustainability aspect of this research direction remains largely unexplored. We provide an initial exploration of the energy and CO2 cost associated with web agents. Our results show how different philosophies in web agent creation can severely impact the associated expended energy. We highlight lacking transparency regarding the disclosure of model parameters and processes used for some web agents as a limiting factor when estimating energy consumption. As such, our work advocates a change in thinking when evaluating web agents, warranting dedicated metrics for energy consumption and sustainability.

Drone-based remote sensing combined with AI-driven methodologies has shown great potential for accurate mapping and monitoring of coral reef ecosystems. This study presents a novel multi-scale approach to coral reef monitoring, integrating fine-scale underwater imagery with medium-scale aerial imagery. Underwater images are captured using an Autonomous Surface Vehicle (ASV), while aerial images are acquired with an aerial drone. A transformer-based deep-learning model is trained on underwater images to detect the presence of 31 classes covering various coral morphotypes, associated fauna, and habitats. These predictions serve as annotations for training a second model applied to aerial images. The transfer of information across scales is achieved through a weighted footprint method that accounts for partial overlaps between underwater image footprints and aerial image tiles. The results show that the multi-scale methodology successfully extends fine-scale classification to larger reef areas, achieving a high degree of accuracy in predicting coral morphotypes and associated habitats. The method showed a strong alignment between underwater-derived annotations and ground truth data, reflected by an AUC (Area Under the Curve) score of 0.9251. This shows that the integration of underwater and aerial imagery, supported by deep-learning models, can facilitate scalable and accurate reef assessments. This study demonstrates the potential of combining multi-scale imaging and AI to facilitate the monitoring and conservation of coral reefs. Our approach leverages the strengths of underwater and aerial imagery, ensuring the precision of fine-scale analysis while extending it to cover a broader reef area.