Neural surrogates and operator networks for solving partial differential equation (PDE) problems have attracted significant research interest in recent years. However, most existing approaches are limited in their ability to generalize solutions across varying non-parametric geometric domains. In this work, we address this challenge in the context of Polyethylene Terephthalate (PET) bottle buckling analysis, a representative packaging design problem conventionally solved using computationally expensive finite element analysis (FEA). We introduce a hybrid DeepONet-Transolver framework that simultaneously predicts nodal displacement fields and the time evolution of reaction forces during top load compression. Our methodology is evaluated on two families of bottle geometries parameterized by two and four design variables. Training data is generated using nonlinear FEA simulations in Abaqus for 254 unique designs per family. The proposed framework achieves mean relative $L^{2}$ errors of 2.5-13% for displacement fields and approximately 2.4% for time-dependent reaction forces for the four-parameter bottle family. Point-wise error analyses further show absolute displacement errors on the order of $10^{-4}$-$10^{-3}$, with the largest discrepancies confined to localized geometric regions. Importantly, the model accurately captures key physical phenomena, such as buckling behavior, across diverse bottle geometries. These results highlight the potential of our framework as a scalable and computationally efficient surrogate, particularly for multi-task predictions in computational mechanics and applications requiring rapid design evaluation.

As machine learning models grow increasingly complex and computationally demanding, understanding the environmental impact of training decisions becomes critical for sustainable AI development. This paper presents a comprehensive empirical study investigating the relationship between optimizer choice and energy efficiency in neural network training. We conducted 360 controlled experiments across three benchmark datasets (MNIST, CIFAR-10, CIFAR-100) using eight popular optimizers (SGD, Adam, AdamW, RMSprop, Adagrad, Adadelta, Adamax, NAdam) with 15 random seeds each. Using CodeCarbon for precise energy tracking on Apple M1 Pro hardware, we measured training duration, peak memory usage, carbon dioxide emissions, and final model performance. Our findings reveal substantial trade-offs between training speed, accuracy, and environmental impact that vary across datasets and model complexity. We identify AdamW and NAdam as consistently efficient choices, while SGD demonstrates superior performance on complex datasets despite higher emissions. These results provide actionable insights for practitioners seeking to balance performance and sustainability in machine learning workflows.

Bias discovery is critical for black-box generative models, especiall text-to-image (TTI) models. Existing works predominantly focus on output-level demographic distributions, which do not necessarily guarantee concept representations to be disentangled post-mitigation. We propose BiasMap, a model-agnostic framework for uncovering latent concept-level representational biases in stable diffusion models. BiasMap leverages cross-attention attribution maps to reveal structural entanglements between demographics (e.g., gender, race) and semantics (e.g., professions), going deeper into representational bias during the image generation. Using attribution maps of these concepts, we quantify the spatial demographics-semantics concept entanglement via Intersection over Union (IoU), offering a lens into bias that remains hidden in existing fairness discovery approaches. In addition, we further utilize BiasMap for bias mitigation through energy-guided diffusion sampling that directly modifies latent noise space and minimizes the expected SoftIoU during the denoising process. Our findings show that existing fairness interventions may reduce the output distributional gap but often fail to disentangle concept-level coupling, whereas our mitigation method can mitigate concept entanglement in image generation while complementing distributional bias mitigation.

Gender-neutral rewriting (GNR) aims to reformulate text to eliminate unnecessary gender specifications while preserving meaning, a particularly challenging task in grammatical-gender languages like Italian. In this work, we conduct the first systematic evaluation of state-of-the-art large language models (LLMs) for Italian GNR, introducing a two-dimensional framework that measures both neutrality and semantic fidelity to the input. We compare few-shot prompting across multiple LLMs, fine-tune selected models, and apply targeted cleaning to boost task relevance. Our findings show that open-weight LLMs outperform the only existing model dedicated to GNR in Italian, whereas our fine-tuned models match or exceed the best open-weight LLM's performance at a fraction of its size. Finally, we discuss the trade-off between optimizing the training data for neutrality and meaning preservation.

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated superior performance over traditional empirical and physics-based methods for this task, enabled by the growing availability of structural and experimental affinity data. In this work, we introduce DeepGGL, a deep convolutional neural network that integrates residual connections and an attention mechanism within a geometric graph learning framework. By leveraging multiscale weighted colored bipartite subgraphs, DeepGGL effectively captures fine-grained atom-level interactions in protein-ligand complexes across multiple scales. We benchmarked DeepGGL against established models on CASF-2013 and CASF-2016, where it achieved state-of-the-art performance with significant improvements across diverse evaluation metrics. To further assess robustness and generalization, we tested the model on the CSAR-NRC-HiQ dataset and the PDBbind v2019 holdout set. DeepGGL consistently maintained high predictive accuracy, highlighting its adaptability and reliability for binding affinity prediction in structure-based drug discovery.

Large language models (LLMs) show promise for translating natural-language statutes into executable logic, but reliability in legally critical settings remains challenging due to ambiguity and hallucinations. We present an agentic approach for developing legal-critical software, using U.S. federal tax preparation as a case study. The key challenge is test-case generation under the oracle problem, where correct outputs require interpreting law. Building on metamorphic testing, we introduce higher-order metamorphic relations that compare system outputs across structured shifts among similar individuals. Because authoring such relations is tedious and error-prone, we use an LLM-driven, role-based framework to automate test generation and code synthesis. We implement a multi-agent system that translates tax code into executable software and incorporates a metamorphic-testing agent that searches for counterexamples. In experiments, our framework using a smaller model (GPT-4o-mini) achieves a worst-case pass rate of 45%, outperforming frontier models (GPT-4o and Claude 3.5, 9-15%) on complex tax-code tasks. These results support agentic LLM methodologies as a path to robust, trustworthy legal-critical software from natural-language specifications.

Generative AI is changing our way of interacting with technology, others, and ourselves. Systems such as Microsoft copilot, Gemini and the expected Apple intelligence still awaits our prompt for action. Y et, it is likely that AI assistant systems will only become better at predicting our behaviour and acting on our behalf. Imagine new generations of generative and predictive AI deciding what you might like best at a new restaurant, picking an outfit that increases your chances on your date with a partner also chosen by the same or a similar system. Far from a science fiction scenario, the goal of several research programs is to build systems capable of assisting us in exactly this manner. The prospect urges us to rethink human-technology relations, but it also invites us to question how such systems might change the way we relate to ourselves. Building on our conception of the relational self, we question the possible effects of generative AI with respect to what we call the sphere of externalised output, the contextual sphere and the sphere of self-relating. In this paper, we attempt to deepen the existential considerations accompanying the AI revolution by outlining how generative AI enables the fulfilment of tasks and also increasingly anticipates, i.e. intercepts, our initiatives in these different spheres.

The detection of anomalies in automotive cabin sounds is critical for ensuring vehicle quality and maintaining passenger comfort. In many real-world settings, this task is more appropriately framed as an unsupervised learning problem rather than the supervised case due to the scarcity or complete absence of labeled faulty data. In such an unsupervised setting, the model is trained exclusively on healthy samples and detects anomalies as deviations from normal behavior. However, in the absence of labeled faulty samples for validation and the limited reliability of commonly used metrics, such as validation reconstruction error, effective model selection remains a significant challenge. To overcome these limitations, a domain-knowledge-informed approach for model selection is proposed, in which proxy-anomalies engineered through structured perturbations of healthy spectrograms are used in the validation set to support model selection. The proposed methodology is evaluated on a high-fidelity electric vehicle dataset comprising healthy and faulty cabin sounds across five representative fault types viz., Imbalance, Modulation, Whine, Wind, and Pulse Width Modulation. This dataset, generated using advanced sound synthesis techniques, and validated via expert jury assessments, has been made publicly available to facilitate further research. Experimental evaluations on the five fault cases demonstrate the selection of optimal models using proxy-anomalies, significantly outperform conventional model selection strategies.

Demands for software-defined vehicles (SDV) are rising and electric vehicles (EVs) are increasingly being equipped with powerful computers. This enables onboard AI systems to optimize charge-aware path optimization customized to reflect vehicle's current condition and environment. We present VEGA, a charge-aware EV navigation agent that plans over a charger-annotated road graph using Proximal Policy Optimization (PPO) with budgeted A* teacher-student guidance under state-of-charge (SoC) feasibility. VEGA consists of two modules. First, a physics-informed neural operator (PINO), trained on real vehicle speed and battery-power logs, uses recent vehicle speed logs to estimate aerodynamic drag, rolling resistance, mass, motor and regenerative-braking efficiencies, and auxiliary load by learning a vehicle-custom dynamics. Second, a Reinforcement Learning (RL) agent uses these dynamics to optimize a path with optimal charging stops and dwell times under SoC constraints. VEGA requires no additional sensors and uses only vehicle speed signals. It may serve as a virtual sensor for power and efficiency to potentially reduce EV cost. In evaluation on long routes like San Francisco to New York, VEGA's stops, dwell times, SoC management, and total travel time closely track Tesla Trip Planner while being slightly more conservative, presumably due to real vehicle conditions such as vehicle parameter drift due to deterioration. Although trained only in U.S. regions, VEGA was able to compute optimal charge-aware paths in France and Japan, demonstrating generalizability. It achieves practical integration of physics-informed learning and RL for EV eco-routing.

Recent advances in spatial omics technologies have revolutionized our ability to study biological systems with unprecedented resolution. By preserving the spatial context of molecular measurements, these methods enable comprehensive mapping of cellular het erogeneity, tissue architecture, and dynamic biological processes in developmental biology, neuroscience, oncology, and evolutionary studies . This review highlights a systematic overview of the continuous advancements in both technology and computational a lgorithms that are paving the way for a deeper, more systematic comprehension of the structure and mechanisms of mammalian tissues and organs by using spatial multi - omics . Our viewpoint demonstrates how advanced machine learning algorithms and multi - omics integrative modeling can decode complex biological processes, including the spatial organization and topological relationships of cells during organ development, as well as key molecular signatures and regulatory networks underlying tumorigenesis and metas tasis . Finally, we outline future directions for technological innovation and modeling insights of spatial omics in precision medicine.