Author name cluster

Seonghyeon Lee

Possible papers associated with this exact author name in Arrow. This page groups case-insensitive exact name matches and is not a full identity disambiguation profile.

2 papers

1 author row

AAAI Conference 2023 Conference Paper

Learning Topology-Specific Experts for Molecular Property Prediction

Suyeon Kim
Dongha Lee
SeongKu Kang
Seonghyeon Lee
Hwanjo Yu

Recently, graph neural networks (GNNs) have been successfully applied to predicting molecular properties, which is one of the most classical cheminformatics tasks with various applications. Despite their effectiveness, we empirically observe that training a single GNN model for diverse molecules with distinct structural patterns limits its prediction performance. In this paper, motivated by this observation, we propose TopExpert to leverage topology-specific prediction models (referred to as experts), each of which is responsible for each molecular group sharing similar topological semantics. That is, each expert learns topology-specific discriminative features while being trained with its corresponding topological group. To tackle the key challenge of grouping molecules by their topological patterns, we introduce a clustering-based gating module that assigns an input molecule into one of the clusters and further optimizes the gating module with two different types of self-supervision: topological semantics induced by GNNs and molecular scaffolds, respectively. Extensive experiments demonstrate that TopExpert has boosted the performance for molecular property prediction and also achieved better generalization for new molecules with unseen scaffolds than baselines. The code is available at https://github.com/kimsu55/ToxExpert.

PDF Details DOI

AAAI Conference 2021 Conference Paper

Learnable Dynamic Temporal Pooling for Time Series Classification

Dongha Lee
Seonghyeon Lee
Hwanjo Yu

With the increase of available time series data, predicting their class labels has been one of the most important challenges in a wide range of disciplines. Recent studies on time series classification show that convolutional neural networks (CNN) achieved the state-of-the-art performance as a single classifier. In this work, pointing out that the global pooling layer that is usually adopted by existing CNN classifiers discards the temporal information of high-level features, we present a dynamic temporal pooling (DTP) technique that reduces the temporal size of hidden representations by aggregating the features at the segment-level. For the partition of a whole series into multiple segments, we utilize dynamic time warping (DTW) to align each time point in a temporal order with the prototypical features of the segments, which can be optimized simultaneously with the network parameters of CNN classifiers. The DTP layer combined with a fullyconnected layer helps to extract further discriminative features considering their temporal position within an input time series. Extensive experiments on both univariate and multivariate time series datasets show that our proposed pooling significantly improves the classification performance.

PDF Details