Spin coating polymer thin films to achieve specific mechanical properties is inherently a multi-objective optimization problem. We present a framework that integrates an active Pareto front learning algorithm (PyePAL) with visualization and explainable AI techniques to optimize processing parameters. PyePAL uses Gaussian process models to predict objective values (hardness and elasticity) from the design variables (spin speed, dilution, and polymer mixture), guiding the adaptive selection of samples toward promising regions of the design space. To enable interpretable insights into the high-dimensional design space, we utilize UMAP (Uniform Manifold Approximation and Projection) for two-dimensional visualization of the Pareto front exploration. Additionally, we incorporate fuzzy linguistic summaries, which translate the learned relationships between process parameters and performance objectives into linguistic statements, thus enhancing the explainability and understanding of the optimization results. Experimental results demonstrate that our method efficiently identifies promising polymer designs, while the visual and linguistic explanations facilitate expert-driven analysis and knowledge discovery.

Environmental sustainability, particularly in relation to climate change, is a key concern for consumers, producers, and policymakers. The carbon footprint, based on greenhouse gas emissions, is a standard metric for quantifying the contribution to climate change of activities and is often assessed using life cycle assessment (LCA). However, conducting LCA is complex due to opaque and global supply chains, as well as fragmented data. This paper presents a methodology that combines advances in LCA and publicly available databases with knowledge-augmented AI techniques, including retrieval-augmented generation, to estimate cradle-to-gate carbon footprints of food products. Our methodology is implemented as a chatbot interface that allows users to interactively explore the carbon impact of composite meals and relate the results to familiar activities.

Graph Neural Networks (GNNs) have become essential for learning from graph-structured data. However, existing GNNs do not consider the conservation law inherent in graphs associated with a flow of physical resources, such as electrical current in power grids or traffic in transportation networks, which can lead to reduced model performance. To address this, we propose flow attention, which adapts existing graph attention mechanisms to satisfy Kirchhoff$\text{'}$s first law. Furthermore, we discuss how this modification influences the expressivity and identify sets of non-isomorphic graphs that can be discriminated by flow attention but not by standard attention. Through extensive experiments on two flow graph datasets (electronic circuits and power grids) we demonstrate that flow attention enhances the performance of attention-based GNNs on both graph-level classification and regression tasks.

Abstract-- Locating human-object interaction (HOI) actions within video serves as the foundation for multiple downstream tasks, such as human behavior analysis and human-robot skill transfer . Current temporal action localization methods typically rely on annotated action and object categories of interactions for optimization, which leads to domain bias and low deployment efficiency. Although some recent works have achieved zero-shot temporal action localization (ZS-T AL) with large vision-language models (VLMs), their coarse-grained estimations and open-loop pipelines hinder further performance improvements for temporal interaction localization (TIL). T o address these issues, we propose a novel zero-shot TIL approach dubbed EgoLoc to locate the timings of grasp actions for human-object interaction in egocentric videos. EgoLoc introduces a self-adaptive sampling strategy to generate reasonable visual prompts for VLM reasoning. In addition, EgoLoc generates closed-loop feedback from visual and dynamic cues to further refine the localization results. Comprehensive experiments on the publicly available dataset and our newly proposed benchmark demonstrate that EgoLoc achieves better temporal interaction localization for egocentric videos compared to state-of-the-art baselines. We will release our code and relevant data as open-source at https://github.com/IRMVLab/EgoLoc.

Natural disasters such as hurricanes, wildfires, and winter storms have induced large-scale power outages in the U.S., resulting in tremendous economic and societal impacts. Accurately predicting power outage recovery and impact is key to resilience of power grid. Recent advances in machine learning offer viable frameworks for estimating power outage duration from geospatial and weather data. However, three major challenges are inherent to the task in a real world setting: spatial dependency of the data, spatial heterogeneity of the impact, and moderate event data. We propose a novel approach to estimate the duration of severe weather-induced power outages through Graph Attention Networks (GAT). Our network uses a simple structure from unsupervised pre-training, followed by semi-supervised learning. We use field data from four major hurricanes affecting $501$ counties in eight Southeastern U.S. states. The model exhibits an excellent performance ($>93\%$ accuracy) and outperforms the existing methods XGBoost, Random Forest, GCN and simple GAT by $2\% - 15\%$ in both the overall performance and class-wise accuracy.

Real-time energy forecasting on edge devices represents a major challenge for smart grid optimization and intelligent buildings. We present LAD-BNet (Lag-Aware Dual-Branch Network), an innovative neural architecture optimized for edge inference with Google Coral TPU. Our hybrid approach combines a branch dedicated to explicit exploitation of temporal lags with a Temporal Convolutional Network (TCN) featuring dilated convolutions, enabling simultaneous capture of short and long-term dependencies. Tested on real energy consumption data with 10-minute temporal resolution, LAD-BNet achieves 14.49% MAPE at 1-hour horizon with only 18ms inference time on Edge TPU, representing an 8-12 x acceleration compared to CPU. The multi-scale architecture enables predictions up to 12 hours with controlled performance degradation. Our model demonstrates a 2.39% improvement over LSTM baselines and 3.04% over pure TCN architectures, while maintaining a 180MB memory footprint suitable for embedded device constraints. These results pave the way for industrial applications in real-time energy optimization, demand management, and operational planning.

Ukrainian President Volodymyr Zelensky has vowed to overhaul state-owned energy companies, after a major corruption scandal engulfed the country's energy sector. Around $100 million (£76m) has been embezzled, anti-graft investigators said, causing outrage in a country where Russian attacks have resulted in crippling power outages. Alongside a full audit of their financial activities, the management of these companies is to be renewed, Zelensky wrote in a post on X on Saturday. Energoatom, the state nuclear company at the heart of the scandal, will have a new supervisory board within a week, he added. Several of those implicated in the scandal have close links to the Ukrainian president.

We propose Cormorant, a rotationally covariant neural network architecture for learning the behavior and properties of complex many-body physical systems. We apply these networks to molecular systems with two goals: learning atomic potential energy surfaces for use in Molecular Dynamics simulations, and learning ground state properties of molecules calculated by Density Functional Theory. Some of the key features of our network are that (a) each neuron explicitly corresponds to a subset of atoms; (b) the activation of each neuron is covariant to rotations, ensuring that overall the network is fully rotationally invariant. Furthermore, the non-linearity in our network is based upon tensor products and the Clebsch-Gordan decomposition, allowing the network to operate entirely in Fourier space. Cormorant significantly outperforms competing algorithms in learning molecular Potential Energy Surfaces from conformational geometries in the MD-17 dataset, and is competitive with other methods at learning geometric, energetic, electronic, and thermodynamic properties of molecules on the GDB-9 dataset.

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods.