The Effectiveness of Curvature-Based Rewiring and the Role of Hyperparameters in GNNs Revisited

Message passing is the dominant paradigm in Graph Neural Networks (GNNs). The efficiency of message passing, however, can be limited by the topology of the graph. This happens when information is lost during propagation due to being oversquashed when travelling through bottlenecks. To remedy this, recent efforts have focused on graph rewiring techniques, which disconnect the input graph originating from the data and the computational graph, on which message passing is performed. A prominent approach for this is to use discrete graph curvature measures, of which several variants have been proposed, to identify and rewire around bottlenecks, facilitating information propagation. While oversquashing has been demonstrated in synthetic datasets, in this work we reevaluate the performance gains that curvature-based rewiring brings to real-world datasets. We show that in these datasets, edges selected during the rewiring process are not in line with theoretical criteria identifying bottlenecks. This implies they do not necessarily oversquash information during message passing. Subsequently, we demonstrate that SOTA accuracies on these datasets are outliers originating from sweeps of hyperparameters -- both the ones for training and dedicated ones related to the rewiring algorithm -- instead of consistent performance gains. In conclusion, our analysis nuances the effectiveness of curvature-based rewiring in real-world datasets and brings a new perspective on the methods to evaluate GNN accuracy improvements.

Large Language Models Reflect Human Citation Patterns with a Heightened Citation Bias

Citation practices are crucial in shaping the structure of scientific knowledge, yet they are often influenced by contemporary norms and biases. The emergence of Large Language Models (LLMs) like GPT-4 introduces a new dynamic to these practices. Interestingly, the characteristics and potential biases of references recommended by LLMs that entirely rely on their parametric knowledge, and not on search or retrieval-augmented generation, remain unexplored. Here, we analyze these characteristics in an experiment using a dataset of 166 papers from AAAI, NeurIPS, ICML, and ICLR, published after GPT-4's knowledge cut-off date, encompassing 3,066 references in total. In our experiment, GPT-4 was tasked with suggesting scholarly references for the anonymized in-text citations within these papers. Our findings reveal a remarkable similarity between human and LLM citation patterns, but with a more pronounced high citation bias in GPT-4, which persists even after controlling for publication year, title length, number of authors, and venue. Additionally, we observe a large consistency between the characteristics of GPT-4's existing and non-existent generated references, indicating the model's internalization of citation patterns. By analyzing citation graphs, we show that the references recommended by GPT-4 are embedded in the relevant citation context, suggesting an even deeper conceptual internalization of the citation networks. While LLMs can aid in citation generation, they may also amplify existing biases and introduce new ones, potentially skewing scientific knowledge dissemination. Our results underscore the need for identifying the model's biases and for developing balanced methods to interact with LLMs in general.

LUCID-GAN: Conditional Generative Models to Locate Unfairness

Most group fairness notions detect unethical biases by computing statistical parity metrics on a model's output. However, this approach suffers from several shortcomings, such as philosophical disagreement, mutual incompatibility, and lack of interpretability. These shortcomings have spurred the research on complementary bias detection methods that offer additional transparency into the sources of discrimination and are agnostic towards an a priori decision on the definition of fairness and choice of protected features. A recent proposal in this direction is LUCID (Locating Unfairness through Canonical Inverse Design), where canonical sets are generated by performing gradient descent on the input space, revealing a model's desired input given a preferred output. This information about the model's mechanisms, i.e., which feature values are essential to obtain specific outputs, allows exposing potential unethical biases in its internal logic. Here, we present LUCID-GAN, which generates canonical inputs via a conditional generative model instead of gradient-based inverse design. LUCID-GAN has several benefits, including that it applies to non-differentiable models, ensures that canonical sets consist of realistic inputs, and allows to assess proxy and intersectional discrimination. We empirically evaluate LUCID-GAN on the UCI Adult and COMPAS data sets and show that it allows for detecting unethical biases in black-box models without requiring access to the training data.

Linear CNNs Discover the Statistical Structure of the Dataset Using Only the Most Dominant Frequencies

Our theoretical understanding of the inner workings of general convolutional neural networks (CNN) is limited. We here present a new stepping stone towards such understanding in the form of a theory of learning in linear CNNs. By analyzing the gradient descent equations, we discover that using convolutions leads to a mismatch between the dataset structure and the network structure. We show that linear CNNs discover the statistical structure of the dataset with non-linear, stage-like transitions, and that the speed of discovery changes depending on this structural mismatch. Moreover, we find that the mismatch lies at the heart of what we call the 'dominant frequency bias', where linear CNNs arrive at these discoveries using only the dominant frequencies of the different structural parts present in the dataset. Our findings can help explain several characteristics of general CNNs, such as their shortcut learning and their tendency to rely on texture instead of shape.

LUCID: Exposing Algorithmic Bias through Inverse Design

AI systems can create, propagate, support, and automate bias in decision-making processes. To mitigate biased decisions, we both need to understand the origin of the bias and define what it means for an algorithm to make fair decisions. Most group fairness notions assess a model's equality of outcome by computing statistical metrics on the outputs. We argue that these output metrics encounter intrinsic obstacles and present a complementary approach that aligns with the increasing focus on equality of treatment. By Locating Unfairness through Canonical Inverse Design (LUCID), we generate a canonical set that shows the desired inputs for a model given a preferred output. The canonical set reveals the model's internal logic and exposes potential unethical biases by repeatedly interrogating the decision-making process. We evaluate LUCID on the UCI Adult and COMPAS data sets and find that some biases detected by a canonical set differ from those of output metrics. The results show that by shifting the focus towards equality of treatment and looking into the algorithm's internal workings, the canonical sets are a valuable addition to the toolbox of algorithmic fairness evaluation.