arXiv subjects

Dongwoo Kim

Publications and source records attributed to Dongwoo Kim.

At least 55 records · Page 3Linked to original sources

arXiv2024

Taming Gradient Oversmoothing and Expansion in Graph Neural Networks

Oversmoothing has been claimed as a primary bottleneck for multi-layered graph neural networks (GNNs). Multiple analyses have examined how and why oversmoothing occurs. However, none of the prior work addressed how optimization is performed under the oversmoothing regime. In this work, we show the presence of $\textit{gradient oversmoothing}$ preventing optimization during training. We further analyze that GNNs with residual connections, a well-known solution to help gradient flow in deep architecture, introduce $\textit{gradient expansion}$, a phenomenon of the gradient explosion in diverse directions. Therefore, adding residual connections cannot be a solution for making a GNN deep. Our analysis reveals that constraining the Lipschitz bound of each layer can neutralize the gradient expansion. To this end, we provide a simple yet effective normalization method to prevent the gradient expansion. An empirical study shows that the residual GNNs with hundreds of layers can be efficiently trained with the proposed normalization without compromising performance. Additional studies show that the empirical observations corroborate our theoretical analysis.

cs.LG↗

arXiv2024

Phi-3 Technical Report: A Highly Capable Language Model Locally on Your Phone

We introduce phi-3-mini, a 3.8 billion parameter language model trained on 3.3 trillion tokens, whose overall performance, as measured by both academic benchmarks and internal testing, rivals that of models such as Mixtral 8x7B and GPT-3.5 (e.g., phi-3-mini achieves 69% on MMLU and 8.38 on MT-bench), despite being small enough to be deployed on a phone. Our training dataset is a scaled-up version of the one used for phi-2, composed of heavily filtered publicly available web data and synthetic data. The model is also further aligned for robustness, safety, and chat format. We also provide parameter-scaling results with a 7B, 14B models trained for 4.8T tokens, called phi-3-small, phi-3-medium, both significantly more capable than phi-3-mini (e.g., respectively 75%, 78% on MMLU, and 8.7, 8.9 on MT-bench). To enhance multilingual, multimodal, and long-context capabilities, we introduce three models in the phi-3.5 series: phi-3.5-mini, phi-3.5-MoE, and phi-3.5-Vision. The phi-3.5-MoE, a 16 x 3.8B MoE model with 6.6 billion active parameters, achieves superior performance in language reasoning, math, and code tasks compared to other open-source models of similar scale, such as Llama 3.1 and the Mixtral series, and on par with Gemini-1.5-Flash and GPT-4o-mini. Meanwhile, phi-3.5-Vision, a 4.2 billion parameter model derived from phi-3.5-mini, excels in reasoning tasks and is adept at handling both single-image and text prompts, as well as multi-image and text prompts.

cs.CL↗

arXiv2024

Phi-3 Safety Post-Training: Aligning Language Models with a "Break-Fix" Cycle

Recent innovations in language model training have demonstrated that it is possible to create highly performant models that are small enough to run on a smartphone. As these models are deployed in an increasing number of domains, it is critical to ensure that they are aligned with human preferences and safety considerations. In this report, we present our methodology for safety aligning the Phi-3 series of language models. We utilized a "break-fix" cycle, performing multiple rounds of dataset curation, safety post-training, benchmarking, red teaming, and vulnerability identification to cover a variety of harm areas in both single and multi-turn scenarios. Our results indicate that this approach iteratively improved the performance of the Phi-3 models across a wide range of responsible AI benchmarks. Finally, we include additional red teaming strategies and evaluations that were used to test the safety behavior of Phi-3.5-mini and Phi-3.5-MoE, which were optimized for multilingual capabilities.

cs.CL↗

arXiv2024

Mitigating Oversmoothing Through Reverse Process of GNNs for Heterophilic Graphs

Graph Neural Network (GNN) resembles the diffusion process, leading to the over-smoothing of learned representations when stacking many layers. Hence, the reverse process of message passing can produce the distinguishable node representations by inverting the forward message propagation. The distinguishable representations can help us to better classify neighboring nodes with different labels, such as in heterophilic graphs. In this work, we apply the design principle of the reverse process to the three variants of the GNNs. Through the experiments on heterophilic graph data, where adjacent nodes need to have different representations for successful classification, we show that the reverse process significantly improves the prediction performance in many cases. Additional analysis reveals that the reverse mechanism can mitigate the over-smoothing over hundreds of layers. Our code is available at https://github.com/ml-postech/reverse-gnn.

cs.SI↗

arXiv2024

Restructuring Graph for Higher Homophily via Adaptive 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 has been done on adapting classical GNNs to less-homophilic graphs. Although the ability to handle less-homophilic graphs is restricted, classical GNNs still stand out in several nice properties such as efficiency, simplicity, and explainability. In this work, we propose a novel graph restructuring method that can be integrated into any type of GNNs, including classical GNNs, to leverage the benefits of existing GNNs while alleviating their limitations. 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 density-aware homophilic metric that is robust to label imbalance, 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.

cs.LG↗

arXiv2024

Generalization of Graph Neural Networks through the Lens of Homomorphism

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel perspective - analyzing the entropy of graph homomorphism. By linking graph homomorphism with information-theoretic measures, we derive generalization bounds for both graph and node classifications. These bounds are capable of capturing subtleties inherent in various graph structures, including but not limited to paths, cycles and cliques. This enables a data-dependent generalization analysis with robust theoretical guarantees. To shed light on the generality of of our proposed bounds, we present a unifying framework that can characterize a broad spectrum of GNN models through the lens of graph homomorphism. We validate the practical applicability of our theoretical findings by showing the alignment between the proposed bounds and the empirically observed generalization gaps over both real-world and synthetic datasets.

cs.LG↗

arXiv2024

Feature Unlearning for Pre-trained GANs and VAEs

We tackle the problem of feature unlearning from a pre-trained image generative model: GANs and VAEs. 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 pre-trained generative models. As the target feature is only presented in a local region of an image, unlearning the entire image from the pre-trained model may result in losing other details in the remaining region of the image. To specify which features to unlearn, we collect randomly generated images that contain the target features. We then identify a latent representation corresponding to the target feature and then use the representation to fine-tune the pre-trained model. Through experiments on MNIST, CelebA, and FFHQ datasets, we show that target features are successfully removed while keeping the fidelity of the original models. Further experiments with an adversarial attack show that the unlearned model is more robust under the presence of malicious parties.

cs.CV↗

arXiv2024

Transfer Learning for Functional Mean Estimation: Phase Transition and Adaptive Algorithms

This paper studies transfer learning for estimating the mean of random functions based on discretely sampled data, where, in addition to observations from the target distribution, auxiliary samples from similar but distinct source distributions are available. The paper considers both common and independent designs and establishes the minimax rates of convergence for both designs. The results reveal an interesting phase transition phenomenon under the two designs and demonstrate the benefits of utilizing the source samples in the low sampling frequency regime. For practical applications, this paper proposes novel data-driven adaptive algorithms that attain the optimal rates of convergence within a logarithmic factor simultaneously over a large collection of parameter spaces. The theoretical findings are complemented by a simulation study that further supports the effectiveness of the proposed algorithms

math.ST↗

arXiv2024

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, originally designed for lossless graph compression. The $K^2$-tree representation {encompasses inherent hierarchy while enabling compact graph generation}. In addition, we make contributions by (1) presenting a sequential $K^2$-treerepresentation 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.

cs.LG↗

arXiv2024

Local Vertex Colouring Graph Neural Networks

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in expressivity, they have frequently come at the expense of decreased efficiency or have been restricted to specific types of graphs. In this study, we investigate the expressivity of GNNs from the perspective of graph search. Specifically, we propose a new vertex colouring scheme and demonstrate that classical search algorithms can efficiently compute graph representations that extend beyond the 1-WL. We show the colouring scheme inherits useful properties from graph search that can help solve problems like graph biconnectivity. Furthermore, we show that under certain conditions, the expressivity of GNNs increases hierarchically with the radius of the search neighbourhood. To further investigate the proposed scheme, we develop a new type of GNN based on two search strategies, breadth-first search and depth-first search, highlighting the graph properties they can capture on top of 1-WL. Our code is available at https://github.com/seanli3/lvc.

cs.LG↗

arXiv2023

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 improving robustness compared to the current diffusion-based purification methods.

cs.CV↗

arXiv2023

Hyperbolic VAE via Latent Gaussian Distributions

We propose a Gaussian manifold variational auto-encoder (GM-VAE) whose latent space consists of a set of Gaussian distributions. It is known that the set of the univariate Gaussian distributions with the Fisher information metric form a hyperbolic space, which we call a Gaussian manifold. To learn the VAE endowed with the Gaussian manifolds, we 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. In experiments, we demonstrate the efficacy of GM-VAE on two different tasks: density estimation of image datasets and environment modeling in model-based reinforcement learning. GM-VAE outperforms the other variants of hyperbolic- and Euclidean-VAEs on density estimation tasks and shows competitive performance in model-based reinforcement learning. We observe that our model provides strong numerical stability, addressing a common limitation reported in previous hyperbolic-VAEs.

cs.LG↗

arXiv2023

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.

cs.IR↗

arXiv2023

Few-Shot Unlearning by Model Inversion

We consider a practical scenario of machine unlearning to erase a target dataset, which causes unexpected behavior from the trained model. The target dataset is often assumed to be fully identifiable in a standard unlearning scenario. Such a flawless identification, however, is almost impossible if the training dataset is inaccessible at the time of unlearning. Unlike previous approaches requiring a complete set of targets, we consider few-shot unlearning scenario when only a few samples of target data are available. To this end, we formulate the few-shot unlearning problem specifying intentions behind the unlearning request (e.g., purely unlearning, mislabel correction, privacy protection), and we devise a straightforward framework that (i) retrieves a proxy of the training data via model inversion fully exploiting information available in the context of unlearning; (ii) adjusts the proxy according to the unlearning intention; and (iii) updates the model with the adjusted proxy. We demonstrate that our method using only a subset of target data can outperform the state-of-the-art unlearning methods even with a complete indication of target data.

cs.LG↗

arXiv2023

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.

cs.LG↗

arXiv2023

Anonymization for Skeleton Action Recognition

Skeleton-based action recognition attracts practitioners and researchers due to the lightweight, compact nature of datasets. Compared with RGB-video-based action recognition, skeleton-based action recognition is a safer way to protect the privacy of subjects while having competitive recognition performance. However, due to improvements in skeleton recognition algorithms as well as motion and depth sensors, more details of motion characteristics can be preserved in the skeleton dataset, leading to potential privacy leakage. We first train classifiers to categorize private information from skeleton trajectories to investigate the potential privacy leakage from skeleton datasets. Our preliminary experiments show that the gender classifier achieves 87% accuracy on average, and the re-identification classifier achieves 80% accuracy on average with three baseline models: Shift-GCN, MS-G3D, and 2s-AGCN. We propose an anonymization framework based on adversarial learning to protect potential privacy leakage from the skeleton dataset. Experimental results show that an anonymized dataset can reduce the risk of privacy leakage while having marginal effects on action recognition performance even with simple anonymizer architectures. The code used in our experiments is available at https://github.com/ml-postech/Skeleton-anonymization/

cs.CV↗

arXiv2022

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.

cs.IR↗

arXiv2022

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.

cs.LG↗