Perks and Pitfalls of Faithfulness in Regular, Self-Explainable and Domain Invariant GNNs

As Graph Neural Networks (GNNs) become more pervasive, it becomes paramount to build robust tools for computing explanations of their predictions. A key desideratum is that these explanations are faithful, i.e., that they portray an accurate picture of the GNN's reasoning process. A number of different faithfulness metrics exist, begging the question of what faithfulness is exactly, and what its properties are. We begin by showing that existing metrics are not interchangeable -- i.e., explanations attaining high faithfulness according to one metric may be unfaithful according to others -- and can be systematically insensitive to important properties of the explanation, and suggest how to address these issues. We proceed to show that, surprisingly, optimizing for faithfulness is not always a sensible design goal. Specifically, we show that for injective regular GNN architectures, perfectly faithful explanations are completely uninformative. The situation is different for modular GNNs, such as self-explainable and domain-invariant architectures, where optimizing faithfulness does not compromise informativeness, and is also unexpectedly tied to out-of-distribution generalization.

Analysing the Behaviour of Tree-Based Neural Networks in Regression Tasks

The landscape of deep learning has vastly expanded the frontiers of source code analysis, particularly through the utilization of structural representations such as Abstract Syntax Trees (ASTs). While these methodologies have demonstrated effectiveness in classification tasks, their efficacy in regression applications, such as execution time prediction from source code, remains underexplored. This paper endeavours to decode the behaviour of tree-based neural network models in the context of such regression challenges. We extend the application of established models--tree-based Convolutional Neural Networks (CNNs), Code2Vec, and Transformer-based methods--to predict the execution time of source code by parsing it to an AST. Our comparative analysis reveals that while these models are benchmarks in code representation, they exhibit limitations when tasked with regression. To address these deficiencies, we propose a novel dual-transformer approach that operates on both source code tokens and AST representations, employing cross-attention mechanisms to enhance interpretability between the two domains. Furthermore, we explore the adaptation of Graph Neural Networks (GNNs) to this tree-based problem, theorizing the inherent compatibility due to the graphical nature of ASTs. Empirical evaluations on real-world datasets showcase that our dual-transformer model outperforms all other tree-based neural networks and the GNN-based models. Moreover, our proposed dual transformer demonstrates remarkable adaptability and robust performance across diverse datasets.

Putting Context in Context: the Impact of Discussion Structure on Text Classification

Current text classification approaches usually focus on the content to be classified. Contextual aspects (both linguistic and extra-linguistic) are usually neglected, even in tasks based on online discussions. Still in many cases the multi-party and multi-turn nature of the context from which these elements are selected can be fruitfully exploited. In this work, we propose a series of experiments on a large dataset for stance detection in English, in which we evaluate the contribution of different types of contextual information, i.e. linguistic, structural and temporal, by feeding them as natural language input into a transformer-based model. We also experiment with different amounts of training data and analyse the topology of local discussion networks in a privacy-compliant way. Results show that structural information can be highly beneficial to text classification but only under certain circumstances (e.g. depending on the amount of training data and on discussion chain complexity). Indeed, we show that contextual information on smaller datasets from other classification tasks does not yield significant improvements. Our framework, based on local discussion networks, allows the integration of structural information, while minimising user profiling, thus preserving their privacy.

Meta-Path Learning for Multi-relational Graph Neural Networks

Existing multi-relational graph neural networks use one of two strategies for identifying informative relations: either they reduce this problem to low-level weight learning, or they rely on handcrafted chains of relational dependencies, called meta-paths. However, the former approach faces challenges in the presence of many relations (e.g., knowledge graphs), while the latter requires substantial domain expertise to identify relevant meta-paths. In this work we propose a novel approach to learn meta-paths and meta-path GNNs that are highly accurate based on a small number of informative meta-paths. Key element of our approach is a scoring function for measuring the potential informativeness of a relation in the incremental construction of the meta-path. Our experimental evaluation shows that the approach manages to correctly identify relevant meta-paths even with a large number of relations, and substantially outperforms existing multi-relational GNNs on synthetic and real-world experiments.

A Unified Active Learning Framework for Annotating Graph Data with Application to Software Source Code Performance Prediction

Most machine learning and data analytics applications, including performance engineering in software systems, require a large number of annotations and labelled data, which might not be available in advance. Acquiring annotations often requires significant time, effort, and computational resources, making it challenging. We develop a unified active learning framework, specializing in software performance prediction, to address this task. We begin by parsing the source code to an Abstract Syntax Tree (AST) and augmenting it with data and control flow edges. Then, we convert the tree representation of the source code to a Flow Augmented-AST graph (FA-AST) representation. Based on the graph representation, we construct various graph embeddings (unsupervised and supervised) into a latent space. Given such an embedding, the framework becomes task agnostic since active learning can be performed using any regression method and query strategy suited for regression. Within this framework, we investigate the impact of using different levels of information for active and passive learning, e.g., partially available labels and unlabeled test data. Our approach aims to improve the investment in AI models for different software performance predictions (execution time) based on the structure of the source code. Our real-world experiments reveal that respectable performance can be achieved by querying labels for only a small subset of all the data.

Graph Neural Networks for temporal graphs: State of the art, open challenges, and opportunities

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent years, GNN-based models for temporal graphs have emerged as a promising area of research to extend the capabilities of GNNs. In this work, we provide the first comprehensive overview of the current state-of-the-art of temporal GNN, introducing a rigorous formalization of learning settings and tasks and a novel taxonomy categorizing existing approaches in terms of how the temporal aspect is represented and processed. We conclude the survey with a discussion of the most relevant open challenges for the field, from both research and application perspectives.

Explaining the Explainers in Graph Neural Networks: a Comparative Study

Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods to understand their decision process. GNN explainers have started to emerge in recent years, with a multitude of methods both novel or adapted from other domains. To sort out this plethora of alternative approaches, several studies have benchmarked the performance of different explainers in terms of various explainability metrics. However, these earlier works make no attempts at providing insights into why different GNN architectures are more or less explainable, or which explainer should be preferred in a given setting. In this survey, we fill these gaps by devising a systematic experimental study, which tests ten explainers on eight representative architectures trained on six carefully designed graph and node classification datasets. With our results we provide key insights on the choice and applicability of GNN explainers, we isolate key components that make them usable and successful and provide recommendations on how to avoid common interpretation pitfalls. We conclude by highlighting open questions and directions of possible future research.

Global Explainability of GNNs via Logic Combination of Learned Concepts

While instance-level explanation of GNN is a well-studied problem with plenty of approaches being developed, providing a global explanation for the behaviour of a GNN is much less explored, despite its potential in interpretability and debugging. Existing solutions either simply list local explanations for a given class, or generate a synthetic prototypical graph with maximal score for a given class, completely missing any combinatorial aspect that the GNN could have learned. In this work, we propose GLGExplainer (Global Logic-based GNN Explainer), the first Global Explainer capable of generating explanations as arbitrary Boolean combinations of learned graphical concepts. GLGExplainer is a fully differentiable architecture that takes local explanations as inputs and combines them into a logic formula over graphical concepts, represented as clusters of local explanations. Contrary to existing solutions, GLGExplainer provides accurate and human-interpretable global explanations that are perfectly aligned with ground-truth explanations (on synthetic data) or match existing domain knowledge (on real-world data). Extracted formulas are faithful to the model predictions, to the point of providing insights into some occasionally incorrect rules learned by the model, making GLGExplainer a promising diagnostic tool for learned GNNs.

TEP-GNN: Accurate Execution Time Prediction of Functional Tests using Graph Neural Networks

Predicting the performance of production code prior to actually executing or benchmarking it is known to be highly challenging. In this paper, we propose a predictive model, dubbed TEP-GNN, which demonstrates that high-accuracy performance prediction is possible for the special case of predicting unit test execution times. TEP-GNN uses FA-ASTs, or flow-augmented ASTs, as a graph-based code representation approach, and predicts test execution times using a powerful graph neural network (GNN) deep learning model. We evaluate TEP-GNN using four real-life Java open source programs, based on 922 test files mined from the projects' public repositories. We find that our approach achieves a high Pearson correlation of 0.789, considerable outperforming a baseline deep learning model. However, we also find that more work is needed for trained models to generalize to unseen projects. Our work demonstrates that FA-ASTs and GNNs are a feasible approach for predicting absolute performance values, and serves as an important intermediary step towards being able to predict the performance of arbitrary code prior to execution.

Emotion Analysis using Multi-Layered Networks for Graphical Representation of Tweets

Anticipating audience reaction towards a certain piece of text is integral to several facets of society ranging from politics, research, and commercial industries. Sentiment analysis (SA) is a useful natural language processing (NLP) technique that utilizes both lexical/statistical and deep learning methods to determine whether different sized texts exhibit a positive, negative, or neutral emotion. However, there is currently a lack of tools that can be used to analyse groups of independent texts and extract the primary emotion from the whole set. Therefore, the current paper proposes a novel algorithm referred to as the Multi-Layered Tweet Analyzer (MLTA) that graphically models social media text using multi-layered networks (MLNs) in order to better encode relationships across independent sets of tweets. Graph structures are capable of capturing meaningful relationships in complex ecosystems compared to other representation methods. State of the art Graph Neural Networks (GNNs) are used to extract information from the Tweet-MLN and make predictions based on the extracted graph features. Results show that not only does the MLTA predict from a larger set of possible emotions, delivering a more accurate sentiment compared to the standard positive, negative or neutral, it also allows for accurate group-level predictions of Twitter data.