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.

Large language models (LLMs) excel at solving complex tasks by executing agentic workflows composed of detailed instructions and structured operations. Yet, building general-purpose agents by manually embedding foundation models into agentic systems such as Chain-of-Thought, Self-Reflection, and ReACT through text interfaces limits scalability and efficiency. Recently, many researchers have sought to automate the generation and optimization of these workflows through code-based representations. However, existing methods often rely on labeled datasets to train and optimize workflows, making them ineffective and inflexible for solving real-world, dynamic problems where labeled data is unavailable. To address this challenge, we introduce Polymath, a self-optimizing agent with dynamic hierarchical workflow that leverages the flexibility of task flow graphs and the expressiveness of code-represented workflows to solve a wide range of real-world, dynamic problems. The proposed optimization methodology integrates multi-grid-inspired graph optimization with a self-reflection-guided evolutionary algorithm to refine workflows without labeled data. Experimental results on six benchmark datasets across coding, math, and multi-turn QA tasks show that Polymath achieves 8.1% average improvement over state-of-the-art baselines.

Detecting security vulnerabilities in source code remains challenging, particularly due to class imbalance in real-world datasets where vulnerable functions are under-represented. Existing learning-based methods often optimise for recall, leading to high false positive rates and reduced usability in development workflows. Furthermore, many approaches lack explainability, limiting their integration into security workflows. This paper presents ExplainVulD, a graph-based framework for vulnerability detection in C/C++ code. The method constructs Code Property Graphs and represents nodes using dual-channel embeddings that capture both semantic and structural information. These are processed by an edge-aware attention mechanism that incorporates edge-type embeddings to distinguish among program relations. To address class imbalance, the model is trained using class-weighted cross-entropy loss. ExplainVulD achieves a mean accuracy of 88.25 percent and an F1 score of 48.23 percent across 30 independent runs on the ReVeal dataset. These results represent relative improvements of 4.6 percent in accuracy and 16.9 percent in F1 score compared to the ReVeal model, a prior learning-based method. The framework also outperforms static analysis tools, with relative gains of 14.0 to 14.1 percent in accuracy and 132.2 to 201.2 percent in F1 score. Beyond improved detection performance, ExplainVulD produces explainable outputs by identifying the most influential code regions within each function, supporting transparency and trust in security triage.

Reinforcement learning (RL) algorithms, due to their reliance on external systems to learn from, require digital environments (e.g., simulators) with very simple interfaces, which in turn constrain significantly the implementation of such environments. In particular, these environments are implemented either as separate processes or as state machines, leading to synchronization and communication overheads in the first case, and to unstructured programming in the second. We propose a new domain-specific, co-routine-based, compiled language, called Rulebook, designed to automatically generate the state machine required to interact with machine learning (ML) algorithms and similar applications, with no performance overhead. Rulebook allows users to express programs without needing to be aware of the specific interface required by the ML components. By decoupling the execution model of the program from the syntactical encoding of the program, and thus without the need for manual state management, Rulebook allows to create larger and more sophisticated environments at a lower development cost.

Creating responsible artificial intelligence (AI) systems is an important issue in contemporary research and development of works on AI. One of the characteristics of responsible AI systems is their explain-ability. In the paper, we are interested in explainable deep learning (XDL) systems. On the basis of the creation of digital twins of physical objects, we introduce the idea of creating readable twins (in the form of imprecise information flow models) for unreadable deep learning models. The complete procedure for switching from the deep learning model (DLM) to the imprecise information flow model (IIFM) is presented. The proposed approach is illustrated with an example of a deep learning classification model for image recognition of handwritten digits from the MNIST data set.

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.

A large amount of procedural videos on the web show how to complete various tasks. These tasks can often be accomplished in different ways and step orderings, with some steps able to be performed simultaneously, while others are constrained to be completed in a specific order. Flow graphs can be used to illustrate the step relationships of a task. Current task-based methods try to learn a single flow graph for all available videos of a specific task. The extracted flow graphs tend to be too abstract, failing to capture detailed step descriptions. In this work, our aim is to learn accurate and rich flow graphs by extracting them from a single video. We propose Box2Flow, an instance-based method to predict a step flow graph from a given procedural video. In detail, we extract bounding boxes from videos, predict pairwise edge probabilities between step pairs, and build the flow graph with a spanning tree algorithm. Experiments on MM-ReS and YouCookII show our method can extract flow graphs effectively.

Machine Learning (ML) algorithms have become increasingly popular for supporting Network Intrusion Detection Systems (NIDS). Nevertheless, extensive research has shown their vulnerability to adversarial attacks, which involve subtle perturbations to the inputs of the models aimed at compromising their performance. Recent proposals have effectively leveraged Graph Neural Networks (GNN) to produce predictions based also on the structural patterns exhibited by intrusions to enhance the detection robustness. However, the adoption of GNN-based NIDS introduces new types of risks. In this paper, we propose the first formalization of adversarial attacks specifically tailored for GNN in network intrusion detection. Moreover, we outline and model the problem space constraints that attackers need to consider to carry out feasible structural attacks in real-world scenarios. As a final contribution, we conduct an extensive experimental campaign in which we launch the proposed attacks against state-of-the-art GNN-based NIDS. Our findings demonstrate the increased robustness of the models against classical feature-based adversarial attacks, while highlighting their susceptibility to structure-based attacks.

In this paper, we focus on task-specific question answering (QA). To this end, we introduce a method for generating exhaustive and high-quality training data, which allows us to train compact (e.g., run on a mobile device), task-specific QA models that are competitive against GPT variants. The key technological enabler is a novel mechanism for automatic question-answer generation from procedural text which can ingest large amounts of textual instructions and produce exhaustive in-domain QA training data. While current QA data generation methods can produce well-formed and varied data, their non-exhaustive nature is sub-optimal for training a QA model. In contrast, we leverage the highly structured aspect of procedural text and represent each step and the overall flow of the procedure as graphs. We then condition on graph nodes to automatically generate QA pairs in an exhaustive and controllable manner. Comprehensive evaluations of our method show that: 1) small models trained with our data achieve excellent performance on the target QA task, even exceeding that of GPT3 and ChatGPT despite being several orders of magnitude smaller. 2) semantic coverage is the key indicator for downstream QA performance. Crucially, while large language models excel at syntactic diversity, this does not necessarily result in improvements on the end QA model. In contrast, the higher semantic coverage provided by our method is critical for QA performance.