Takanori Maehara

Abdalgader Abubaker, Takanori Maehara, Madhav Nimishakavi et al.

Recently, pretraining methods for the Graph Neural Networks (GNNs) have been successful at learning effective representations from unlabeled graph data. However, most of these methods rely on pairwise relations in the graph and do not capture the underling higher-order relations between entities. Hypergraphs are versatile and expressive structures that can effectively model higher-order relationships among entities in the data. Despite the efforts to adapt GNNs to hypergraphs (HyperGNN), there are currently no fully self-supervised pretraining methods for HyperGNN on heterogeneous hypergraphs. In this paper, we present SPHH, a novel self-supervised pretraining framework for heterogeneous HyperGNNs. Our method is able to effectively capture higher-order relations among entities in the data in a self-supervised manner. SPHH is consist of two self-supervised pretraining tasks that aim to simultaneously learn both local and global representations of the entities in the hypergraph by using informative representations derived from the hypergraph structure. Overall, our work presents a significant advancement in the field of self-supervised pretraining of HyperGNNs, and has the potential to improve the performance of various graph-based downstream tasks such as node classification and link prediction tasks which are mapped to hypergraph configuration. Our experiments on two real-world benchmarks using four different HyperGNN models show that our proposed SPHH framework consistently outperforms state-of-the-art baselines in various downstream tasks. The results demonstrate that SPHH is able to improve the performance of various HyperGNN models in various downstream tasks, regardless of their architecture or complexity, which highlights the robustness of our framework.

Takanori Maehara, Hoang NT

Theoretical analyses for graph learning methods often assume a complete observation of the input graph. Such an assumption might not be useful for handling any-size graphs due to the scalability issues in practice. In this work, we develop a theoretical framework for graph classification problems in the partial observation setting (i.e., subgraph samplings). Equipped with insights from graph limit theory, we propose a new graph classification model that works on a randomly sampled subgraph and a novel topology to characterize the representability of the model. Our theoretical framework contributes a theoretical validation of mini-batch learning on graphs and leads to new learning-theoretic results on generalization bounds as well as size-generalizability without assumptions on the input.

Kenshin Abe, Takanori Maehara, Issei Sato

We study the problem of modeling a binary operation that satisfies some algebraic requirements. We first construct a neural network architecture for Abelian group operations and derive a universal approximation property. Then, we extend it to Abelian semigroup operations using the characterization of associative symmetric polynomials. Both models take advantage of the analytic invertibility of invertible neural networks. For each case, by repeating the binary operations, we can represent a function for multiset input thanks to the algebraic structure. Naturally, our multiset architecture has size-generalization ability, which has not been obtained in existing methods. Further, we present modeling the Abelian group operation itself is useful in a word analogy task. We train our models over fixed word embeddings and demonstrate improved performance over the original word2vec and another naive learning method.

Hoang NT, Takanori Maehara, Tsuyoshi Murata

We study Graph Convolutional Networks (GCN) from the graph signal processing viewpoint by addressing a difference between learning graph filters with fully connected weights versus trainable polynomial coefficients. We find that by stacking graph filters with learnable polynomial parameters, we can build a highly adaptive and robust vertex classification model. Our treatment here relaxes the low-frequency (or equivalently, high homophily) assumptions in existing vertex classification models, resulting a more ubiquitous solution in terms of spectral properties. Empirically, by using only one hyper-parameter setting, our model achieves strong results on most benchmark datasets across the frequency spectrum.

Hoang NT, Takanori Maehara

In this paper, we study the graph classification problem from the graph homomorphism perspective. We consider the homomorphisms from $F$ to $G$, where $G$ is a graph of interest (e.g. molecules or social networks) and $F$ belongs to some family of graphs (e.g. paths or non-isomorphic trees). We show that graph homomorphism numbers provide a natural invariant (isomorphism invariant and $\mathcal{F}$-invariant) embedding maps which can be used for graph classification. Viewing the expressive power of a graph classifier by the $\mathcal{F}$-indistinguishable concept, we prove the universality property of graph homomorphism vectors in approximating $\mathcal{F}$-invariant functions. In practice, by choosing $\mathcal{F}$ whose elements have bounded tree-width, we show that the homomorphism method is efficient compared with other methods.

Akihiro Yabe, Takanori Maehara

Data-driven decision-making is performed by solving a parameterized optimization problem, and the optimal decision is given by an optimal solution for unknown true parameters. We often need a solution that satisfies true constraints even though these are unknown. Robust optimization is employed to obtain such a solution, where the uncertainty of the parameter is represented by an ellipsoid, and the scale of robustness is controlled by a coefficient. In this study, we propose an algorithm to determine the scale such that the solution has a good objective value and satisfies the true constraints with a given confidence probability. Under some regularity conditions, the scale obtained by our algorithm is asymptotically $O(1/\sqrt{n})$, whereas the scale obtained by a standard approach is $O(\sqrt{d/n})$. This means that our algorithm is less affected by the dimensionality of the parameters.

Yoichi Sasaki, Kosuke Akimoto, Takanori Maehara

Neural networks using numerous text data have been successfully applied to a variety of tasks. While massive text data is usually compressed using techniques such as grammar compression, almost all of the previous machine learning methods assume already decompressed sequence data as their input. In this paper, we propose a method to directly apply neural sequence models to text data compressed with grammar compression algorithms without decompression. To encode the unique symbols that appear in compression rules, we introduce composer modules to incrementally encode the symbols into vector representations. Through experiments on real datasets, we empirically showed that the proposal model can achieve both memory and computational efficiency while maintaining moderate performance.

Takanori Maehara, Hoang NT

We present a simple proof for the universality of invariant and equivariant tensorized graph neural networks. Our approach considers a restricted intermediate hypothetical model named Graph Homomorphism Model to reach the universality conclusions including an open case for higher-order output. We find that our proposed technique not only leads to simple proofs of the universality properties but also gives a natural explanation for the tensorization of the previously studied models. Finally, we give some remarks on the connection between our model and the continuous representation of graphs.

Akihiro Yabe, Takanori Maehara

Selecting appropriate regularization coefficients is critical to performance with respect to regularized empirical risk minimization problems. Existing theoretical approaches attempt to determine the coefficients in order for regularized empirical objectives to be upper-bounds of true objectives, uniformly over a hypothesis space. Such an approach is, however, known to be over-conservative, especially in high-dimensional settings with large hypothesis space. In fact, an existing generalization error bound in variance-based regularization is $O(\sqrt{d \log n/n})$, where $d$ is the dimension of hypothesis space, and thus the number of samples required for convergence linearly increases with respect to $d$. This paper proposes an algorithm that calculates regularization coefficient, one which results in faster convergence of generalization error $O(\sqrt{\log n/n})$ and whose leading term is independent of the dimension $d$. This faster convergence without dependence on the size of the hypothesis space is achieved by means of empirical hypothesis space reduction, which, with high probability, successfully reduces a hypothesis space without losing the true optimum solution. Calculation of uniform upper bounds over reduced spaces, then, enables acceleration of the convergence of generalization error.

Satoshi Hara, Atsushi Nitanda, Takanori Maehara

Data cleansing is a typical approach used to improve the accuracy of machine learning models, which, however, requires extensive domain knowledge to identify the influential instances that affect the models. In this paper, we propose an algorithm that can suggest influential instances without using any domain knowledge. With the proposed method, users only need to inspect the instances suggested by the algorithm, implying that users do not need extensive knowledge for this procedure, which enables even non-experts to conduct data cleansing and improve the model. The existing methods require the loss function to be convex and an optimal model to be obtained, which is not always the case in modern machine learning. To overcome these limitations, we propose a novel approach specifically designed for the models trained with stochastic gradient descent (SGD). The proposed method infers the influential instances by retracing the steps of the SGD while incorporating intermediate models computed in each step. Through experiments, we demonstrate that the proposed method can accurately infer the influential instances. Moreover, we used MNIST and CIFAR10 to show that the models can be effectively improved by removing the influential instances suggested by the proposed method.

Hoang NT, Takanori Maehara

Graph neural networks have become one of the most important techniques to solve machine learning problems on graph-structured data. Recent work on vertex classification proposed deep and distributed learning models to achieve high performance and scalability. However, we find that the feature vectors of benchmark datasets are already quite informative for the classification task, and the graph structure only provides a means to denoise the data. In this paper, we develop a theoretical framework based on graph signal processing for analyzing graph neural networks. Our results indicate that graph neural networks only perform low-pass filtering on feature vectors and do not have the non-linear manifold learning property. We further investigate their resilience to feature noise and propose some insights on GCN-based graph neural network design.

Kazuto Fukuchi, Satoshi Hara, Takanori Maehara

Auditing fairness of decision-makers is now in high demand. To respond to this social demand, several fairness auditing tools have been developed. The focus of this study is to raise an awareness of the risk of malicious decision-makers who fake fairness by abusing the auditing tools and thereby deceiving the social communities. The question is whether such a fraud of the decision-maker is detectable so that the society can avoid the risk of fake fairness. In this study, we answer this question negatively. We specifically put our focus on a situation where the decision-maker publishes a benchmark dataset as the evidence of his/her fairness and attempts to deceive a person who uses an auditing tool that computes a fairness metric. To assess the (un)detectability of the fraud, we explicitly construct an algorithm, the stealthily biased sampling, that can deliberately construct an evil benchmark dataset via subsampling. We show that the fraud made by the stealthily based sampling is indeed difficult to detect both theoretically and empirically.

Satoshi Hara, Takanori Maehara

In an ordinary feature selection procedure, a set of important features is obtained by solving an optimization problem such as the Lasso regression problem, and we expect that the obtained features explain the data well. In this study, instead of the single optimal solution, we consider finding a set of diverse yet nearly optimal solutions. To this end, we formulate the problem as finding a small number of solutions such that the convex hull of these solutions approximates the set of nearly optimal solutions. The proposed algorithm consists of two steps: First, we randomly sample the extreme points of the set of nearly optimal solutions. Then, we select a small number of points using a greedy algorithm. The experimental results indicate that the proposed algorithm can approximate the solution set well. The results also indicate that we can obtain Lasso solutions with a large diversity.

Junpei Komiyama, Takanori Maehara

Statistical hypothesis testing serves as statistical evidence for scientific innovation. However, if the reported results are intentionally biased, hypothesis testing no longer controls the rate of false discovery. In particular, we study such selection bias in machine learning models where the reporter is motivated to promote an algorithmic innovation. When the number of possible configurations (e.g., datasets) is large, we show that the reporter can falsely report an innovation even if there is no improvement at all. We propose a `post-reporting' solution to this issue where the bias of the reported results is verified by another set of results. The theoretical findings are supported by experimental results with synthetic and real-world datasets.

Satoshi Hara, Kouichi Ikeno, Tasuku Soma et al.

While several feature scoring methods are proposed to explain the output of complex machine learning models, most of them lack formal mathematical definitions. In this study, we propose a novel definition of the feature score using the maximally invariant data perturbation, which is inspired from the idea of adversarial example. In adversarial example, one seeks the smallest data perturbation that changes the model's output. In our proposed approach, we consider the opposite: we seek the maximally invariant data perturbation that does not change the model's output. In this way, we can identify important input features as the ones with small allowable data perturbations. To find the maximally invariant data perturbation, we formulate the problem as linear programming. The experiment on the image classification with VGG16 shows that the proposed method could identify relevant parts of the images effectively.

Danushka Bollegala, Vincent Atanasov, Takanori Maehara et al.

The fundamental problem in short-text classification is \emph{feature sparseness} -- the lack of feature overlap between a trained model and a test instance to be classified. We propose \emph{ClassiNet} -- a network of classifiers trained for predicting missing features in a given instance, to overcome the feature sparseness problem. Using a set of unlabeled training instances, we first learn binary classifiers as feature predictors for predicting whether a particular feature occurs in a given instance. Next, each feature predictor is represented as a vertex $v_i$ in the ClassiNet where a one-to-one correspondence exists between feature predictors and vertices. The weight of the directed edge $e_{ij}$ connecting a vertex $v_i$ to a vertex $v_j$ represents the conditional probability that given $v_i$ exists in an instance, $v_j$ also exists in the same instance. We show that ClassiNets generalize word co-occurrence graphs by considering implicit co-occurrences between features. We extract numerous features from the trained ClassiNet to overcome feature sparseness. In particular, for a given instance $\vec{x}$, we find similar features from ClassiNet that did not appear in $\vec{x}$, and append those features in the representation of $\vec{x}$. Moreover, we propose a method based on graph propagation to find features that are indirectly related to a given short-text. We evaluate ClassiNets on several benchmark datasets for short-text classification. Our experimental results show that by using ClassiNet, we can statistically significantly improve the accuracy in short-text classification tasks, without having to use any external resources such as thesauri for finding related features.

Tatsunori Taniai, Takanori Maehara

We present a novel convolutional neural network architecture for photometric stereo (Woodham, 1980), a problem of recovering 3D object surface normals from multiple images observed under varying illuminations. Despite its long history in computer vision, the problem still shows fundamental challenges for surfaces with unknown general reflectance properties (BRDFs). Leveraging deep neural networks to learn complicated reflectance models is promising, but studies in this direction are very limited due to difficulties in acquiring accurate ground truth for training and also in designing networks invariant to permutation of input images. In order to address these challenges, we propose a physics based unsupervised learning framework where surface normals and BRDFs are predicted by the network and fed into the rendering equation to synthesize observed images. The network weights are optimized during testing by minimizing reconstruction loss between observed and synthesized images. Thus, our learning process does not require ground truth normals or even pre-training on external images. Our method is shown to achieve the state-of-the-art performance on a challenging real-world scene benchmark.

Masaaki Imaizumi, Takanori Maehara, Kohei Hayashi

Tensor train (TT) decomposition provides a space-efficient representation for higher-order tensors. Despite its advantage, we face two crucial limitations when we apply the TT decomposition to machine learning problems: the lack of statistical theory and of scalable algorithms. In this paper, we address the limitations. First, we introduce a convex relaxation of the TT decomposition problem and derive its error bound for the tensor completion task. Next, we develop an alternating optimization method with a randomization technique, in which the time complexity is as efficient as the space complexity is. In experiments, we numerically confirm the derived bounds and empirically demonstrate the performance of our method with a real higher-order tensor.

Satoshi Hara, Takanori Maehara

We propose a method for finding alternate features missing in the Lasso optimal solution. In ordinary Lasso problem, one global optimum is obtained and the resulting features are interpreted as task-relevant features. However, this can overlook possibly relevant features not selected by the Lasso. With the proposed method, we can provide not only the Lasso optimal solution but also possible alternate features to the Lasso solution. We show that such alternate features can be computed efficiently by avoiding redundant computations. We also demonstrate how the proposed method works in the 20 newsgroup data, which shows that reasonable features are found as alternate features.

Danushka Bollegala, Alsuhaibani Mohammed, Takanori Maehara et al.

Methods for learning word representations using large text corpora have received much attention lately due to their impressive performance in numerous natural language processing (NLP) tasks such as, semantic similarity measurement, and word analogy detection. Despite their success, these data-driven word representation learning methods do not consider the rich semantic relational structure between words in a co-occurring context. On the other hand, already much manual effort has gone into the construction of semantic lexicons such as the WordNet that represent the meanings of words by defining the various relationships that exist among the words in a language. We consider the question, can we improve the word representations learnt using a corpora by integrating the knowledge from semantic lexicons?. For this purpose, we propose a joint word representation learning method that simultaneously predicts the co-occurrences of two words in a sentence subject to the relational constrains given by the semantic lexicon. We use relations that exist between words in the lexicon to regularize the word representations learnt from the corpus. Our proposed method statistically significantly outperforms previously proposed methods for incorporating semantic lexicons into word representations on several benchmark datasets for semantic similarity and word analogy.

Danushka Bollegala, Takanori Maehara, Ken-ichi Kawarabayashi

Meaning of a word varies from one domain to another. Despite this important domain dependence in word semantics, existing word representation learning methods are bound to a single domain. Given a pair of \emph{source}-\emph{target} domains, we propose an unsupervised method for learning domain-specific word representations that accurately capture the domain-specific aspects of word semantics. First, we select a subset of frequent words that occur in both domains as \emph{pivots}. Next, we optimize an objective function that enforces two constraints: (a) for both source and target domain documents, pivots that appear in a document must accurately predict the co-occurring non-pivots, and (b) word representations learnt for pivots must be similar in the two domains. Moreover, we propose a method to perform domain adaptation using the learnt word representations. Our proposed method significantly outperforms competitive baselines including the state-of-the-art domain-insensitive word representations, and reports best sentiment classification accuracies for all domain-pairs in a benchmark dataset.

Danushka Bollegala, Takanori Maehara, Ken-ichi Kawarabayashi

Learning representations for semantic relations is important for various tasks such as analogy detection, relational search, and relation classification. Although there have been several proposals for learning representations for individual words, learning word representations that explicitly capture the semantic relations between words remains under developed. We propose an unsupervised method for learning vector representations for words such that the learnt representations are sensitive to the semantic relations that exist between two words. First, we extract lexical patterns from the co-occurrence contexts of two words in a corpus to represent the semantic relations that exist between those two words. Second, we represent a lexical pattern as the weighted sum of the representations of the words that co-occur with that lexical pattern. Third, we train a binary classifier to detect relationally similar vs. non-similar lexical pattern pairs. The proposed method is unsupervised in the sense that the lexical pattern pairs we use as train data are automatically sampled from a corpus, without requiring any manual intervention. Our proposed method statistically significantly outperforms the current state-of-the-art word representations on three benchmark datasets for proportional analogy detection, demonstrating its ability to accurately capture the semantic relations among words.

Danushka Bollegala, Takanori Maehara, Yuichi Yoshida et al.

Attributes of words and relations between two words are central to numerous tasks in Artificial Intelligence such as knowledge representation, similarity measurement, and analogy detection. Often when two words share one or more attributes in common, they are connected by some semantic relations. On the other hand, if there are numerous semantic relations between two words, we can expect some of the attributes of one of the words to be inherited by the other. Motivated by this close connection between attributes and relations, given a relational graph in which words are inter- connected via numerous semantic relations, we propose a method to learn a latent representation for the individual words. The proposed method considers not only the co-occurrences of words as done by existing approaches for word representation learning, but also the semantic relations in which two words co-occur. To evaluate the accuracy of the word representations learnt using the proposed method, we use the learnt word representations to solve semantic word analogy problems. Our experimental results show that it is possible to learn better word representations by using semantic semantics between words.