Test Time Embedding Normalization for Popularity Bias Mitigation

Popularity bias is a widespread problem in the field of recommender systems, where popular items tend to dominate recommendation results. In this work, we propose 'Test Time Embedding Normalization' as a simple yet effective strategy for mitigating popularity bias, which surpasses the performance of the previous mitigation approaches by a significant margin. Our approach utilizes the normalized item embedding during the inference stage to control the influence of embedding magnitude, which is highly correlated with item popularity. Through extensive experiments, we show that our method combined with the sampled softmax loss effectively reduces popularity bias compare to previous approaches for bias mitigation. We further investigate the relationship between user and item embeddings and find that the angular similarity between embeddings distinguishes preferable and non-preferable items regardless of their popularity. The analysis explains the mechanism behind the success of our approach in eliminating the impact of popularity bias. Our code is available at https://github.com/ml-postech/TTEN.

EPIC: Graph Augmentation with Edit Path Interpolation via Learnable Cost

Graph-based models have become increasingly important in various domains, but the limited size and diversity of existing graph datasets often limit their performance. To address this issue, we propose EPIC (Edit Path Interpolation via learnable Cost), a novel interpolation-based method for augmenting graph datasets. Our approach leverages graph edit distance to generate new graphs that are similar to the original ones but exhibit some variation in their structures. To achieve this, we learn the graph edit distance through a comparison of labeled graphs and utilize this knowledge to create graph edit paths between pairs of original graphs. With randomly sampled graphs from a graph edit path, we enrich the training set to enhance the generalization capability of classification models. We demonstrate the effectiveness of our approach on several benchmark datasets and show that it outperforms existing augmentation methods in graph classification tasks.

Hierarchical Graph Generation with $K^2$-trees

Generating graphs from a target distribution is a significant challenge across many domains, including drug discovery and social network analysis. In this work, we introduce a novel graph generation method leveraging $K^2$-tree representation which was originally designed for lossless graph compression. Our motivation stems from the ability of the $K^2$-trees to enable compact generation while concurrently capturing the inherent hierarchical structure of a graph. In addition, we make further contributions by (1) presenting a sequential $K^2$-tree representation that incorporates pruning, flattening, and tokenization processes and (2) introducing a Transformer-based architecture designed to generate the sequence by incorporating a specialized tree positional encoding scheme. Finally, we extensively evaluate our algorithm on four general and two molecular graph datasets to confirm its superiority for graph generation.

Robust Evaluation of Diffusion-Based Adversarial Purification

We question the current evaluation practice on diffusion-based purification methods. Diffusion-based purification methods aim to remove adversarial effects from an input data point at test time. The approach gains increasing attention as an alternative to adversarial training due to the disentangling between training and testing. Well-known white-box attacks are often employed to measure the robustness of the purification. However, it is unknown whether these attacks are the most effective for the diffusion-based purification since the attacks are often tailored for adversarial training. We analyze the current practices and provide a new guideline for measuring the robustness of purification methods against adversarial attacks. Based on our analysis, we further propose a new purification strategy showing competitive results against the state-of-the-art adversarial training approaches.

Feature Unlearning for Generative Models via Implicit Feedback

We tackle the problem of feature unlearning from a pretrained image generative model. Unlike a common unlearning task where an unlearning target is a subset of the training set, we aim to unlearn a specific feature, such as hairstyle from facial images, from the pretrained generative models. As the target feature is only presented in a local region of an image, unlearning the entire image from the pretrained model may result in losing other details in the remaining region of the image. To specify which features to unlearn, we develop an implicit feedback mechanism where a user can select images containing the target feature. From the implicit feedback, we identify a latent representation corresponding to the target feature and then use the representation to unlearn the generative model. Our framework is generalizable for the two well-known families of generative models: GANs and VAEs. Through experiments on MNIST and CelebA datasets, we show that target features are successfully removed while keeping the fidelity of the original models.

SpReME: Sparse Regression for Multi-Environment Dynamic Systems

Learning dynamical systems is a promising avenue for scientific discoveries. However, capturing the governing dynamics in multiple environments still remains a challenge: model-based approaches rely on the fidelity of assumptions made for a single environment, whereas data-driven approaches based on neural networks are often fragile on extrapolating into the future. In this work, we develop a method of sparse regression dubbed SpReME to discover the major dynamics that underlie multiple environments. Specifically, SpReME shares a sparse structure of ordinary differential equation (ODE) across different environments in common while allowing each environment to keep the coefficients of ODE terms independently. We demonstrate that the proposed model captures the correct dynamics from multiple environments over four different dynamic systems with improved prediction performance.

Item-based Variational Auto-encoder for Fair Music Recommendation

We present our solution for the EvalRS DataChallenge. The EvalRS DataChallenge aims to build a more realistic recommender system considering accuracy, fairness, and diversity in evaluation. Our proposed system is based on an ensemble between an item-based variational auto-encoder (VAE) and a Bayesian personalized ranking matrix factorization (BPRMF). To mitigate the bias in popularity, we use an item-based VAE for each popularity group with an additional fairness regularization. To make a reasonable recommendation even the predictions are inaccurate, we combine the recommended list of BPRMF and that of item-based VAE. Through the experiments, we demonstrate that the item-based VAE with fairness regularization significantly reduces popularity bias compared to the user-based VAE. The ensemble between the item-based VAE and BPRMF makes the top-1 item similar to the ground truth even the predictions are inaccurate. Finally, we propose a `Coefficient Variance based Fairness' as a novel evaluation metric based on our reflections from the extensive experiments.

Substructure-Atom Cross Attention for Molecular Representation Learning

Designing a neural network architecture for molecular representation is crucial for AI-driven drug discovery and molecule design. In this work, we propose a new framework for molecular representation learning. Our contribution is threefold: (a) demonstrating the usefulness of incorporating substructures to node-wise features from molecules, (b) designing two branch networks consisting of a transformer and a graph neural network so that the networks fused with asymmetric attention, and (c) not requiring heuristic features and computationally-expensive information from molecules. Using 1.8 million molecules collected from ChEMBL and PubChem database, we pretrain our network to learn a general representation of molecules with minimal supervision. The experimental results show that our pretrained network achieves competitive performance on 11 downstream tasks for molecular property prediction.

GM-VAE: Representation Learning with VAE on Gaussian Manifold

We propose a Gaussian manifold variational auto-encoder (GM-VAE) whose latent space consists of a set of diagonal Gaussian distributions. It is known that the set of the diagonal Gaussian distributions with the Fisher information metric forms a product hyperbolic space, which we call a Gaussian manifold. To learn the VAE endowed with the Gaussian manifold, we first propose a pseudo Gaussian manifold normal distribution based on the Kullback-Leibler divergence, a local approximation of the squared Fisher-Rao distance, to define a density over the latent space. With the newly proposed distribution, we introduce geometric transformations at the last and the first of the encoder and the decoder of VAE, respectively to help the transition between the Euclidean and Gaussian manifolds. Through the empirical experiments, we show competitive generalization performance of GM-VAE against other variants of hyperbolic- and Euclidean-VAEs. Our model achieves strong numerical stability, which is a common limitation reported with previous hyperbolic-VAEs.

Restructuring Graph for Higher Homophily via Learnable Spectral Clustering

While a growing body of literature has been studying new Graph Neural Networks (GNNs) that work on both homophilic and heterophilic graphs, little work has been done on adapting classical GNNs to less-homophilic graphs. Although lacking the ability to work with less-homophilic graphs, classical GNNs still stand out in some properties such as efficiency, simplicity and explainability. We propose a novel graph restructuring method to maximize the benefit of prevalent GNNs with the homophilic assumption. Our contribution is threefold: a) learning the weight of pseudo-eigenvectors for an adaptive spectral clustering that aligns well with known node labels, b) proposing a new homophilic metric that measures how two nodes with the same label are likely to be connected, and c) reconstructing the adjacency matrix based on the result of adaptive spectral clustering to maximize the homophilic scores. The experimental results show that our graph restructuring method can significantly boost the performance of six classical GNNs by an average of 25% on less-homophilic graphs. The boosted performance is comparable to state-of-the-art methods.