Graph neural networks (GNNs) leverage the connectivity and structure of real-world graphs to learn intricate properties and relationships between nodes. Many real-world graphs exceed the memory capacity of a GPU due to their sheer size, and training GNNs on such graphs requires techniques such as mini-batch sampling to scale. The alternative approach of distributed full-graph training suffers from high communication overheads and load imbalance due to the irregular structure of graphs. We propose a three-dimensional (3D) parallel approach for full-graph training that tackles these issues and scales to billion-edge graphs. In addition, we introduce optimizations such as a double permutation scheme for load balancing, and a performance model to predict the optimal 3D configuration of our parallel implementation -- Plexus. We evaluate Plexus on six different graph datasets and show scaling results on up to 2048 GPUs of Perlmutter, and 1024 GPUs of Frontier. Plexus achieves unprecedented speedups of 2.3-12.5x over prior state of the art, and a reduction in time-to-solution by 5.2-8.7x on Perlmutter and 7.0-54.2x on Frontier.

In this paper, we address the problem of giving names to predicates in logic rules using Large Language Models (LLMs). In the context of Inductive Logic Programming, various rule generation methods produce rules containing unnamed predicates, with Predicate Invention being a key example. This hinders the readability, interpretability, and reusability of the logic theory. Leveraging recent advancements in LLMs development, we explore their ability to process natural language and code to provide semantically meaningful suggestions for giving a name to unnamed predicates. The evaluation of our approach on some hand-crafted logic rules indicates that LLMs hold potential for this task.

Multi-objective search (MOS) has emerged as a unifying framework for planning and decision-making problems where multiple, often conflicting, criteria must be balanced. While the problem has been studied for decades, recent years have seen renewed interest in the topic across AI applications such as robotics, transportation, and operations research, reflecting the reality that real-world systems rarely optimize a single measure. This paper surveys developments in MOS while highlighting cross-disciplinary opportunities, and outlines open challenges that define the emerging frontier of MOS research.

Agentic AI represents a transformative shift in artificial intelligence, but its rapid advancement has led to a fragmented understanding, often conflating modern neural systems with outdated symbolic models -- a practice known as conceptual retrofitting. This survey cuts through this confusion by introducing a novel dual-paradigm framework that categorizes agentic systems into two distinct lineages: the Symbolic/Classical (relying on algorithmic planning and persistent state) and the Neural/Generative (leveraging stochastic generation and prompt-driven orchestration). Through a systematic PRISMA-based review of 90 studies (2018--2025), we provide a comprehensive analysis structured around this framework across three dimensions: (1) the theoretical foundations and architectural principles defining each paradigm; (2) domain-specific implementations in healthcare, finance, and robotics, demonstrating how application constraints dictate paradigm selection; and (3) paradigm-specific ethical and governance challenges, revealing divergent risks and mitigation strategies. Our analysis reveals that the choice of paradigm is strategic: symbolic systems dominate safety-critical domains (e.g., healthcare), while neural systems prevail in adaptive, data-rich environments (e.g., finance). Furthermore, we identify critical research gaps, including a significant deficit in governance models for symbolic systems and a pressing need for hybrid neuro-symbolic architectures. The findings culminate in a strategic roadmap arguing that the future of Agentic AI lies not in the dominance of one paradigm, but in their intentional integration to create systems that are both adaptable and reliable. This work provides the essential conceptual toolkit to guide future research, development, and policy toward robust and trustworthy hybrid intelligent systems.

Abstract--This survey provides an analysis of current methodologies integrating legal and logical specifications into the perception, prediction, and planning modules of automated driving systems. We systematically explore techniques ranging from logic-based frameworks to computational legal reasoning approaches, emphasizing their capability to ensure regulatory compliance and interpretability in dynamic and uncertain driving environments. A central finding is that significant challenges arise at the intersection of perceptual reliability, legal compliance, and decision-making justifiability. T o systematically analyze these challenges, we introduce a taxonomy categorizing existing approaches by their theoretical foundations, architectural implementations, and validation strategies. We particularly focus on methods that address perceptual uncertainty and incorporate explicit legal norms, facilitating decisions that are both technically robust and legally defensible. The review covers neural-symbolic integration methods for perception, logic-driven rule representation, and norm-aware prediction strategies, all contributing toward transparent and accountable autonomous vehicle operation. We highlight critical open questions and practical trade-offs that must be addressed, offering multidisci-plinary insights from engineering, logic, and law to guide future developments in legally compliant autonomous driving systems.

Forecasting transformative technologies remains a critical but challenging task, particularly in fast-evolving domains such as Information and Communication Technologies (ICTs). Traditional expert-based methods struggle to keep pace with short innovation cycles and ambiguous early-stage terminology. In this work, we propose a novel, data-driven pipeline to monitor the emergence of transformative technologies by identifying patterns of technological convergence. Our approach leverages advances in Large Language Models (LLMs) to extract semantic triples from unstructured text and construct a large-scale graph of technology-related entities and relations. We introduce a new method for grouping semantically similar technology terms (noun stapling) and develop graph-based metrics to detect convergence signals. The pipeline includes multi-stage filtering, domain-specific keyword clustering, and a temporal trend analysis of topic co-occurence. We validate our methodology on two complementary datasets: 278,625 arXiv preprints (2017--2024) to capture early scientific signals, and 9,793 USPTO patent applications (2018-2024) to track downstream commercial developments. Our results demonstrate that the proposed pipeline can identify both established and emerging convergence patterns, offering a scalable and generalizable framework for technology forecasting grounded in full-text analysis.

Deep learning has achieved remarkable success across a wide range of tasks, but its models often suffer from instability and vulnerability: small changes to the input may drastically affect predictions, while optimization can be hindered by sharp loss landscapes. This thesis addresses these issues through the unifying perspective of sensitivity analysis, which examines how neural networks respond to perturbations at both the input and parameter levels. We study Lipschitz networks as a principled way to constrain sensitivity to input perturbations, thereby improving generalization, adversarial robustness, and training stability. To complement this architectural approach, we introduce regularization techniques based on the curvature of the loss function, promoting smoother optimization landscapes and reducing sensitivity to parameter variations. Randomized smoothing is also explored as a probabilistic method for enhancing robustness at decision boundaries. By combining these perspectives, we develop a unified framework where Lipschitz continuity, randomized smoothing, and curvature regularization interact to address fundamental challenges in stability. The thesis contributes both theoretical analysis and practical methodologies, including efficient spectral norm computation, novel Lipschitz-constrained layers, and improved certification procedures.

Machine learning models increasingly map biological sequence-fitness landscapes to predict mutational effects. Effective evaluation of these models requires benchmarks curated from empirical data. Despite their impressive scales, existing benchmarks lack topographical information regarding the underlying fitness landscapes, which hampers interpretation and comparison of model performance beyond averaged scores. Here, we introduce GraphFLA, a Python framework that constructs and analyzes fitness landscapes from mutagensis data in diverse modalities (e.g., DNA, RNA, protein, and beyond) with up to millions of mutants. GraphFLA calculates 20 biologically relevant features that characterize 4 fundamental aspects of landscape topography. By applying GraphFLA to over 5,300 landscapes from ProteinGym, RNAGym, and CIS-BP, we demonstrate its utility in interpreting and comparing the performance of dozens of fitness prediction models, highlighting factors influencing model accuracy and respective advantages of different models. In addition, we release 155 combinatorially complete empirical fitness landscapes, encompassing over 2.2 million sequences across various modalities. All the codes and datasets are available at https://github.com/COLA-Laboratory/GraphFLA.

This thesis delves into the world of non-invasive electrophysiological brain signals like electroencephalography (EEG) and magnetoencephalography (MEG), focusing on modelling and decoding such data. The research aims to investigate what happens in the brain when we perceive visual stimuli or engage in covert speech (inner speech) and enhance the decoding performance of such stimuli. The thesis is divided into two main sections, methodological and experimental work. A central concern in both sections is the large variability present in electrophysiological recordings, whether it be within-subject or between-subject variability, and to a certain extent between-dataset variability. In the methodological sections, we explore the potential of deep learning for brain decoding. We present advancements in decoding visual stimuli using linear models at the individual subject level. We then explore how deep learning techniques can be employed for group decoding, introducing new methods to deal with between-subject variability. Finally, we also explores novel forecasting models of MEG data based on convolutional and Transformer-based architectures. In particular, Transformer-based models demonstrate superior capabilities in generating signals that closely match real brain data, thereby enhancing the accuracy and reliability of modelling the brain's electrophysiology. In the experimental section, we present a unique dataset containing high-trial inner speech EEG, MEG, and preliminary optically pumped magnetometer (OPM) data. Our aim is to investigate different types of inner speech and push decoding performance by collecting a high number of trials and sessions from a few participants. However, the decoding results are found to be mostly negative, underscoring the difficulty of decoding inner speech.

The exponential growth of information presents a significant challenge for researchers and professionals seeking to remain at the forefront of their fields and this paper introduces an innovative framework for automatically generating insightful financial digests using the power of Large Language Models (LLMs), specifically Google's Gemini Pro. By leveraging a combination of data extraction from OpenAlex, strategic prompt engineering, and LLM-driven analysis, we demonstrate the automated example of creating a comprehensive digests that generalize key findings, identify emerging trends. This approach addresses the limitations of traditional analysis methods, enabling the efficient processing of vast amounts of unstructured data and the delivery of actionable insights in an easily digestible format. This paper describes how LLMs work in simple words and how we can use their power to help researchers and scholars save their time and stay informed about current trends. Our study includes step-by-step process, from data acquisition and JSON construction to interaction with Gemini and the automated generation of PDF reports, including a link to the project's GitHub repository for broader accessibility and further development.