Dongwoo Kim

Seunghyuk Cho, Juyong Lee, Jaesik Park et al.

We present a rotated hyperbolic wrapped normal distribution (RoWN), a simple yet effective alteration of a hyperbolic wrapped normal distribution (HWN). The HWN expands the domain of probabilistic modeling from Euclidean to hyperbolic space, where a tree can be embedded with arbitrary low distortion in theory. In this work, we analyze the geometric properties of the diagonal HWN, a standard choice of distribution in probabilistic modeling. The analysis shows that the distribution is inappropriate to represent the data points at the same hierarchy level through their angular distance with the same norm in the Poincaré disk model. We then empirically verify the presence of limitations of HWN, and show how RoWN, the proposed distribution, can alleviate the limitations on various hierarchical datasets, including noisy synthetic binary tree, WordNet, and Atari 2600 Breakout. The code is available at https://github.com/ml-postech/RoWN.

Yang Liu, Jiyao Yang, Madhawa Perera et al.

3D skeleton-based human action recognition has emerged as a powerful alternative to traditional RGB and depth-based approaches, offering robustness to environmental variations, computational efficiency, and enhanced privacy. Despite remarkable progress, current research remains fragmented across diverse input representations and lacks evaluation under scenarios that reflect modern real-world challenges. This paper presents a representation-centric survey of skeleton-based action recognition, systematically categorizing state-of-the-art methods by their input feature types: joint coordinates, bone vectors, motion flows, and extended representations, and analyzing how these choices influence spatial-temporal modeling strategies. Building on the insights from this review, we introduce ANUBIS, a large-scale, challenging skeleton action dataset designed to address critical gaps in existing benchmarks. ANUBIS incorporates multi-view recordings with back-view perspectives, complex multi-person interactions, fine-grained and violent actions, and contemporary social behaviors. We benchmark a diverse set of state-of-the-art models on ANUBIS and conduct an in-depth analysis of how different feature types affect recognition performance across 102 action categories. Our results show strong action-feature dependencies, highlight the limitations of naïve multi-representational fusion, and point toward the need for task-aware, semantically aligned integration strategies. This work offers both a comprehensive foundation and a practical benchmarking resource, aiming to guide the next generation of robust, generalizable skeleton-based action recognition systems for complex real-world scenarios. The dataset website, benchmarking framework, and download link are available at https://yliu1082.github.io/ANUBIS/.

Minjong Lee, Dongwoo Kim

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.

Zhenyue Qin, Pan Ji, Dongwoo Kim et al.

Skeleton sequences are compact and lightweight. Numerous skeleton-based action recognizers have been proposed to classify human behaviors. In this work, we aim to incorporate components that are compatible with existing models and further improve their accuracy. To this end, we design two temporal accessories: discrete cosine encoding (DCE) and chronological loss (CRL). DCE facilitates models to analyze motion patterns from the frequency domain and meanwhile alleviates the influence of signal noise. CRL guides networks to explicitly capture the sequence's chronological order. These two components consistently endow many recently-proposed action recognizers with accuracy boosts, achieving new state-of-the-art (SOTA) accuracy on two large datasets.

Seunghyuk Cho, Juyong Lee, Dongwoo Kim

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.

Dain Kim, Jinhyeok Park, Dongwoo Kim

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.

Youngsik Yoon, Jinhwan Nam, Hyojeong Yun et al.

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.

Yang Liu, Jiyao Yang, Madhawa Perera et al.

3D skeletal action recognition has emerged as a powerful alternative to traditional RGB and depth-based approaches, offering robustness to environmental variations, computational efficiency, and enhanced privacy. Despite remarkable progress, current research remains fragmented across diverse input representations and lacks evaluation under scenarios that reflect real-world challenges. This paper presents a representation-centric review of supervised skeletal action recognition, systematically categorizing state-of-the-art methods by their input feature types: joint coordinates, bone vectors, motion flows, and extended representations, and analyzing how these choices influence spatiotemporal modeling strategies. Building on the insights from this review, we introduce ANUBIS, a large-scale, challenging dataset designed to address critical gaps in existing benchmarks. ANUBIS incorporates multi-view recordings with back-view perspectives, complex multi-person interactions, fine-grained and violent actions, and contemporary social behaviors. We benchmark a diverse set of state-of-the-art models on ANUBIS and conduct an in-depth analysis of how different feature types affect recognition performance across 102 action categories. Our results show strong action-feature dependencies, highlight the limitations of naive multi-representational fusion, and point toward the need for task-aware, semantically aligned integration strategies. This work offers both a comprehensive foundation and a practical benchmarking resource, aiming to guide the next generation of robust, generalizable skeleton-based action recognition systems for complex real-world scenarios. The dataset, benchmarking framework, and code are available at https://yliu1082.github.io/ANUBIS/.

Shouheng Li, Dongwoo Kim, Qing Wang

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.

Saemi Moon, Seunghyuk Cho, Dongwoo Kim

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.

Jiye Kim, Seungbeom Lee, Dongwoo Kim et al.

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.

Moon Jeong Park, Jungseul Ok, Yo-Seb Jeon et al.

Deep learning-based symbol detector gains increasing attention due to the simple algorithm design than the traditional model-based algorithms such as Viterbi and BCJR. The supervised learning framework is often employed to predict the input symbols, where training symbols are used to train the model. There are two major limitations in the supervised approaches: a) a model needs to be retrained from scratch when new train symbols come to adapt to a new channel status, and b) the length of the training symbols needs to be longer than a certain threshold to make the model generalize well on unseen symbols. To overcome these challenges, we propose a meta-learning-based self-supervised symbol detector named MetaSSD. Our contribution is two-fold: a) meta-learning helps the model adapt to a new channel environment based on experience with various meta-training environments, and b) self-supervised learning helps the model to use relatively less supervision than the previously suggested learning-based detectors. In experiments, MetaSSD outperforms OFDM-MMSE with noisy channel information and shows comparable results with BCJR. Further ablation studies show the necessity of each component in our framework.

Jaeseung Heo, Seungbeom Lee, Sungsoo Ahn et al.

Data augmentation plays a critical role in improving model performance across various domains, but it becomes challenging with graph data due to their complex and irregular structure. To address this issue, we propose EPIC (Edit Path Interpolation via learnable Cost), a novel interpolation-based method for augmenting graph datasets. To interpolate between two graphs lying in an irregular domain, EPIC leverages the concept of graph edit distance, constructing an edit path that represents the transformation process between two graphs via edit operations. Moreover, our method introduces a context-sensitive cost model that accounts for the importance of specific edit operations formulated through a learning framework. This allows for a more nuanced transformation process, where the edit distance is not merely count-based but reflects meaningful graph attributes. With randomly sampled graphs from the edit path, we enrich the training set to enhance the generalization capability of classification models. Experimental evaluations across several benchmark datasets demonstrate that our approach outperforms existing augmentation techniques in many tasks.

MoonJeong Park, Youngbin Choi, Namhoon Lee et al.

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.

Jinhyeok Park, Dain Kim, Dongwoo Kim

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.

MoonJeong Park, Jaeseung Heo, Dongwoo Kim

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.

Shouheng Li, Dongwoo Kim, Qing Wang

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.

Suyeon Kim, SeongKu Kang, Dongwoo Kim et al.

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in node classification tasks but struggle with label noise in real-world data. Existing studies on graph learning with label noise commonly rely on class-dependent label noise, overlooking the complexities of instance-dependent noise and falling short of capturing real-world corruption patterns. We introduce BeGIN (Benchmarking for Graphs with Instance-dependent Noise), a new benchmark that provides realistic graph datasets with various noise types and comprehensively evaluates noise-handling strategies across GNN architectures, noisy label detection, and noise-robust learning. To simulate instance-dependent corruptions, BeGIN introduces algorithmic methods and LLM-based simulations. Our experiments reveal the challenges of instance-dependent noise, particularly LLM-based corruption, and underscore the importance of node-specific parameterization to enhance GNN robustness. By comprehensively evaluating noise-handling strategies, BeGIN provides insights into their effectiveness, efficiency, and key performance factors. We expect that BeGIN will serve as a valuable resource for advancing research on label noise in graphs and fostering the development of robust GNN training methods. The code is available at https://github.com/kimsu55/BeGIN.

Jaeseung Heo, Moonjeong Park, Dongwoo Kim

Label smoothing is a widely studied regularization technique in machine learning. However, its potential for node classification in graph-structured data, spanning homophilic to heterophilic graphs, remains largely unexplored. We introduce posterior label smoothing, a novel method for transductive node classification that derives soft labels from a posterior distribution conditioned on neighborhood labels. The likelihood and prior distributions are estimated from the global statistics of the graph structure, allowing our approach to adapt naturally to various graph properties. We evaluate our method on 10 benchmark datasets using eight baseline models, demonstrating consistent improvements in classification accuracy. The following analysis demonstrates that soft labels mitigate overfitting during training, leading to better generalization performance, and that pseudo-labeling effectively refines the global label statistics of the graph. Our code is available at https://github.com/ml-postech/PosteL.

Saemi Moon, Myeonghyeon Kim, Zhenyue Qin et al.

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/

Yang Liu, Zhenyue Qin, Saeed Anwar et al.

Invertible networks have various benefits for image denoising since they are lightweight, information-lossless, and memory-saving during back-propagation. However, applying invertible models to remove noise is challenging because the input is noisy, and the reversed output is clean, following two different distributions. We propose an invertible denoising network, InvDN, to address this challenge. InvDN transforms the noisy input into a low-resolution clean image and a latent representation containing noise. To discard noise and restore the clean image, InvDN replaces the noisy latent representation with another one sampled from a prior distribution during reversion. The denoising performance of InvDN is better than all the existing competitive models, achieving a new state-of-the-art result for the SIDD dataset while enjoying less run time. Moreover, the size of InvDN is far smaller, only having 4.2% of the number of parameters compared to the most recently proposed DANet. Further, via manipulating the noisy latent representation, InvDN is also able to generate noise more similar to the original one. Our code is available at: https://github.com/Yang-Liu1082/InvDN.git.

Yo Joong Choe, Kyubyong Park, Dongwoo Kim

We present word2word, a publicly available dataset and an open-source Python package for cross-lingual word translations extracted from sentence-level parallel corpora. Our dataset provides top-k word translations in 3,564 (directed) language pairs across 62 languages in OpenSubtitles2018 (Lison et al., 2018). To obtain this dataset, we use a count-based bilingual lexicon extraction model based on the observation that not only source and target words but also source words themselves can be highly correlated. We illustrate that the resulting bilingual lexicons have high coverage and attain competitive translation quality for several language pairs. We wrap our dataset and model in an easy-to-use Python library, which supports downloading and retrieving top-k word translations in any of the supported language pairs as well as computing top-k word translations for custom parallel corpora.

Shouheng Li, Floris Geerts, Dongwoo Kim et al.

Expressivity and generalization are two critical aspects of graph neural networks (GNNs). While significant progress has been made in studying the expressivity of GNNs, much less is known about their generalization capabilities, particularly when dealing with the inherent complexity of graph-structured data. In this work, we address the intricate relationship between expressivity and generalization in GNNs. Theoretical studies conjecture a trade-off between the two: highly expressive models risk overfitting, while those focused on generalization may sacrifice expressivity. However, empirical evidence often contradicts this assumption, with expressive GNNs frequently demonstrating strong generalization. We explore this contradiction by introducing a novel framework that connects GNN generalization to the variance in graph structures they can capture. This leads us to propose a $k$-variance margin-based generalization bound that characterizes the structural properties of graph embeddings in terms of their upper-bounded expressive power. Our analysis does not rely on specific GNN architectures, making it broadly applicable across GNN models. We further uncover a trade-off between intra-class concentration and inter-class separation, both of which are crucial for effective generalization. Through case studies and experiments on real-world datasets, we demonstrate that our theoretical findings align with empirical results, offering a deeper understanding of how expressivity can enhance GNN generalization.

Shouheng Li, Dongwoo Kim, Qing Wang

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.

Jaeseung Heo, Kyeongheung Yun, Seokwon Yoon et al.

Understanding how individual edges influence the behavior of graph neural networks (GNNs) is essential for improving their interpretability and robustness. Graph influence functions have emerged as promising tools to efficiently estimate the effects of edge deletions without retraining. However, existing influence prediction methods rely on strict convexity assumptions, exclusively consider the influence of edge deletions while disregarding edge insertions, and fail to capture changes in message propagation caused by these modifications. In this work, we propose a proximal Bregman response function specifically tailored for GNNs, relaxing the convexity requirement and enabling accurate influence prediction for standard neural network architectures. Furthermore, our method explicitly accounts for message propagation effects and extends influence prediction to both edge deletions and insertions in a principled way. Experiments with real-world datasets demonstrate accurate influence predictions for different characteristics of GNNs. We further demonstrate that the influence function is versatile in applications such as graph rewiring and adversarial attacks.

Yunhui Jang, Dongwoo Kim, Sungsoo Ahn

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.

Hoyoung Kim, Seunghyuk Cho, Dongwoo Kim et al.

Crowdsourcing systems enable us to collect large-scale dataset, but inherently suffer from noisy labels of low-paid workers. We address the inference and learning problems using such a crowdsourced dataset with noise. Due to the nature of sparsity in crowdsourcing, it is critical to exploit both probabilistic model to capture worker prior and neural network to extract task feature despite risks from wrong prior and overfitted feature in practice. We hence establish a neural-powered Bayesian framework, from which we devise deepMF and deepBP with different choice of variational approximation methods, mean field (MF) and belief propagation (BP), respectively. This provides a unified view of existing methods, which are special cases of deepMF with different priors. In addition, our empirical study suggests that deepBP is a new approach, which is more robust against wrong prior, feature overfitting and extreme workers thanks to the more sophisticated BP than MF.

Zhenyue Qin, Dongwoo Kim, Tom Gedeon

We study how to evaluate the quantitative information content of a region within an image for a particular label. To this end, we bridge class activation maps with information theory. We develop an informative class activation map (infoCAM). Given a classification task, infoCAM depict how to accumulate information of partial regions to that of the entire image toward a label. Thus, we can utilise infoCAM to locate the most informative features for a label. When applied to an image classification task, infoCAM performs better than the traditional classification map in the weakly supervised object localisation task. We achieve state-of-the-art results on Tiny-ImageNet.

Zhenyue Qin, Dongwoo Kim, Tom Gedeon

Cross-entropy loss with softmax output is a standard choice to train neural network classifiers. We give a new view of neural network classifiers with softmax and cross-entropy as mutual information evaluators. We show that when the dataset is balanced, training a neural network with cross-entropy maximises the mutual information between inputs and labels through a variational form of mutual information. Thereby, we develop a new form of softmax that also converts a classifier to a mutual information evaluator when the dataset is imbalanced. Experimental results show that the new form leads to better classification accuracy, in particular for imbalanced datasets.

Sean Li, Dongwoo Kim, Qing Wang

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits the generalizability power of GNNs. To address this limitation, we propose a flexible GNN model, which is capable of handling any graphs without being restricted by their underlying homophily. At its core, this model adopts a node attention mechanism based on multiple learnable spectral filters; therefore, the aggregation scheme is learned adaptively for each graph in the spectral domain. We evaluated the proposed model on node classification tasks over eight benchmark datasets. The proposed model is shown to generalize well to both homophilic and heterophilic graphs. Further, it outperforms all state-of-the-art baselines on heterophilic graphs and performs comparably with them on homophilic graphs.

Zhenyue Qin, Dongwoo Kim, Tom Gedeon

Mutual information is widely applied to learn latent representations of observations, whilst its implication in classification neural networks remain to be better explained. We show that optimising the parameters of classification neural networks with softmax cross-entropy is equivalent to maximising the mutual information between inputs and labels under the balanced data assumption. Through experiments on synthetic and real datasets, we show that softmax cross-entropy can estimate mutual information approximately. When applied to image classification, this relation helps approximate the point-wise mutual information between an input image and a label without modifying the network structure. To this end, we propose infoCAM, informative class activation map, which highlights regions of the input image that are the most relevant to a given label based on differences in information. The activation map helps localise the target object in an input image. Through experiments on the semi-supervised object localisation task with two real-world datasets, we evaluate the effectiveness of our information-theoretic approach.

Zhenyue Qin, Dongwoo Kim

Despite great popularity of applying softmax to map the non-normalised outputs of a neural network to a probability distribution over predicting classes, this normalised exponential transformation still seems to be artificial. A theoretic framework that incorporates softmax as an intrinsic component is still lacking. In this paper, we view neural networks embedding softmax from an information-theoretic perspective. Under this view, we can naturally and mathematically derive log-softmax as an inherent component in a neural network for evaluating the conditional mutual information between network output vectors and labels given an input datum. We show that training deterministic neural networks through maximising log-softmax is equivalent to enlarging the conditional mutual information, i.e., feeding label information into network outputs. We also generalise our informative-theoretic perspective to neural networks with stochasticity and derive information upper and lower bounds of log-softmax. In theory, such an information-theoretic view offers rationality support for embedding softmax in neural networks; in practice, we eventually demonstrate a computer vision application example of how to employ our information-theoretic view to filter out targeted objects on images.

Dongwoo Kim, Christian Walder

Prediction suffix trees (PST) provide an effective tool for sequence modelling and prediction. Current prediction techniques for PSTs rely on exact matching between the suffix of the current sequence and the previously observed sequence. We present a provably correct algorithm for learning a PST with approximate suffix matching by relaxing the exact matching condition. We then present a self-bounded enhancement of our algorithm where the depth of suffix tree grows automatically in response to the model performance on a training sequence. Through experiments on synthetic datasets as well as three real-world datasets, we show that the approximate matching PST results in better predictive performance than the other variants of PST.

Christian J. Walder, Dongwoo Kim

We present a neural sequence model designed specifically for symbolic music. The model is based on a learned edit distance mechanism which generalises a classic recursion from computer sci- ence, leading to a neural dynamic program. Re- peated motifs are detected by learning the transfor- mations between them. We represent the arising computational dependencies using a novel data structure, the edit tree; this perspective suggests natural approximations which afford the scaling up of our otherwise cubic time algorithm. We demonstrate our model on real and synthetic data; in all cases it out-performs a strong stacked long short-term memory benchmark.

Dawei Chen, Dongwoo Kim, Lexing Xie et al.

We present an interactive visualisation tool for recommending travel trajectories. This system is based on new machine learning formulations and algorithms for the sequence recommendation problem. The system starts from a map-based overview, taking an interactive query as starting point. It then breaks down contributions from different geographical and user behavior features, and those from individual points-of-interest versus pairs of consecutive points on a route. The system also supports detailed quantitative interrogation by comparing a large number of features for multiple points. Effective trajectory visualisations can potentially benefit a large cohort of online map users and assist their decision-making. More broadly, the design of this system can inform visualisations of other structured prediction tasks, such as for sequences or trees.

Jooyeon Kim, Dongwoo Kim, Alice Oh

Much of scientific progress stems from previously published findings, but searching through the vast sea of scientific publications is difficult. We often rely on metrics of scholarly authority to find the prominent authors but these authority indices do not differentiate authority based on research topics. We present Latent Topical-Authority Indexing (LTAI) for jointly modeling the topics, citations, and topical authority in a corpus of academic papers. Compared to previous models, LTAI differs in two main aspects. First, it explicitly models the generative process of the citations, rather than treating the citations as given. Second, it models each author's influence on citations of a paper based on the topics of the cited papers, as well as the citing papers. We fit LTAI to four academic corpora: CORA, Arxiv Physics, PNAS, and Citeseer. We compare the performance of LTAI against various baselines, starting with the latent Dirichlet allocation, to the more advanced models including author-link topic model and dynamic author citation topic model. The results show that LTAI achieves improved accuracy over other similar models when predicting words, citations and authors of publications.

Christian Walder, Dongwoo Kim

Sequence modeling with neural networks has lead to powerful models of symbolic music data. We address the problem of exploiting these models to reach creative musical goals, by combining with human input. To this end we generalise previous work, which sampled Markovian sequence models under the constraint that the sequence belong to the language of a given finite state machine provided by the human. We consider more expressive non-Markov models, thereby requiring approximate sampling which we provide in the form of an efficient sequential Monte Carlo method. In addition we provide and compare with a beam search strategy for conditional probability maximisation. Our algorithms are capable of convincingly re-harmonising famous musical works. To demonstrate this we provide visualisations, quantitative experiments, a human listening test and audio examples. We find both the sampling and optimisation procedures to be effective, yet complementary in character. For the case of highly permissive constraint sets, we find that sampling is to be preferred due to the overly regular nature of the optimisation based results. The generality of our algorithms permits countless other creative applications.

Dongwoo Kim, Lexing Xie, Cheng Soon Ong

Knowledge graph construction consists of two tasks: extracting information from external resources (knowledge population) and inferring missing information through a statistical analysis on the extracted information (knowledge completion). In many cases, insufficient external resources in the knowledge population hinder the subsequent statistical inference. The gap between these two processes can be reduced by an incremental population approach. We propose a new probabilistic knowledge graph factorisation method that benefits from the path structure of existing knowledge (e.g. syllogism) and enables a common modelling approach to be used for both incremental population and knowledge completion tasks. More specifically, the probabilistic formulation allows us to develop an incremental population algorithm that trades off exploitation-exploration. Experiments on three benchmark datasets show that the balanced exploitation-exploration helps the incremental population, and the additional path structure helps to predict missing information in knowledge completion.

Nebojsa Jojic, Alessandro Perina, Dongwoo Kim

The counting grid is a grid of microtopics, sparse word/feature distributions. The generative model associated with the grid does not use these microtopics individually. Rather, it groups them in overlapping rectangular windows and uses these grouped microtopics as either mixture or admixture components. This paper builds upon the basic counting grid model and it shows that hierarchical reasoning helps avoid bad local minima, produces better classification accuracy and, most interestingly, allows for extraction of large numbers of coherent microtopics even from small datasets. We evaluate this in terms of consistency, diversity and clarity of the indexed content, as well as in a user study on word intrusion tasks. We demonstrate that these models work well as a technique for embedding raw images and discuss interesting parallels between hierarchical CG models and other deep architectures.

Dongwoo Kim, Suin Kim, Alice Oh

We describe a nonparametric topic model for labeled data. The model uses a mixture of random measures (MRM) as a base distribution of the Dirichlet process (DP) of the HDP framework, so we call it the DP-MRM. To model labeled data, we define a DP distributed random measure for each label, and the resulting model generates an unbounded number of topics for each label. We apply DP-MRM on single-labeled and multi-labeled corpora of documents and compare the performance on label prediction with MedLDA, LDA-SVM, and Labeled-LDA. We further enhance the model by incorporating ddCRP and modeling multi-labeled images for image segmentation and object labeling, comparing the performance with nCuts and rddCRP.

Dongwoo Kim, Yeonseung Chung, Alice Oh

In latent Dirichlet allocation (LDA), topics are multinomial distributions over the entire vocabulary. However, the vocabulary usually contains many words that are not relevant in forming the topics. We adopt a variable selection method widely used in statistical modeling as a dimension reduction tool and combine it with LDA. In this variable selection model for LDA (vsLDA), topics are multinomial distributions over a subset of the vocabulary, and by excluding words that are not informative for finding the latent topic structure of the corpus, vsLDA finds topics that are more robust and discriminative. We compare three models, vsLDA, LDA with symmetric priors, and LDA with asymmetric priors, on heldout likelihood, MCMC chain consistency, and document classification. The performance of vsLDA is better than symmetric LDA for likelihood and classification, better than asymmetric LDA for consistency and classification, and about the same in the other comparisons.