Yeachan Kim

Yeachan Kim, Bonggun Shin

Active learning enables the efficient construction of a labeled dataset by labeling informative samples from an unlabeled dataset. In a real-world active learning scenario, considering the diversity of the selected samples is crucial because many redundant or highly similar samples exist. Core-set approach is the promising diversity-based method selecting diverse samples based on the distance between samples. However, the approach poorly performs compared to the uncertainty-based approaches that select the most difficult samples where neural models reveal low confidence. In this work, we analyze the feature space through the lens of the density and, interestingly, observe that locally sparse regions tend to have more informative samples than dense regions. Motivated by our analysis, we empower the core-set approach with the density-awareness and propose a density-aware core-set (DACS). The strategy is to estimate the density of the unlabeled samples and select diverse samples mainly from sparse regions. To reduce the computational bottlenecks in estimating the density, we also introduce a new density approximation based on locality-sensitive hashing. Experimental results clearly demonstrate the efficacy of DACS in both classification and regression tasks and specifically show that DACS can produce state-of-the-art performance in a practical scenario. Since DACS is weakly dependent on neural architectures, we present a simple yet effective combination method to show that the existing methods can be beneficially combined with DACS.

Yeachan Kim, Seongyeon Kim, Ihyeok Seo et al.

Adversarial training has been considered an imperative component for safely deploying neural network-based applications to the real world. To achieve stronger robustness, existing methods primarily focus on how to generate strong attacks by increasing the number of update steps, regularizing the models with the smoothed loss function, and injecting the randomness into the attack. Instead, we analyze the behavior of adversarial training through the lens of response frequency. We empirically discover that adversarial training causes neural networks to have low convergence to high-frequency information, resulting in highly oscillated predictions near each data. To learn high-frequency contents efficiently and effectively, we first prove that a universal phenomenon of frequency principle, i.e., \textit{lower frequencies are learned first}, still holds in adversarial training. Based on that, we propose phase-shifted adversarial training (PhaseAT) in which the model learns high-frequency components by shifting these frequencies to the low-frequency range where the fast convergence occurs. For evaluations, we conduct the experiments on CIFAR-10 and ImageNet with the adaptive attack carefully designed for reliable evaluation. Comprehensive results show that PhaseAT significantly improves the convergence for high-frequency information. This results in improved adversarial robustness by enabling the model to have smoothed predictions near each data.

Eojin Jeon, Mingyu Lee, Juhyeong Park et al.

Biases in the dataset often enable the model to achieve high performance on in-distribution data, while poorly performing on out-of-distribution data. To mitigate the detrimental effect of the bias on the networks, previous works have proposed debiasing methods that down-weight the biased examples identified by an auxiliary model, which is trained with explicit bias labels. However, finding a type of bias in datasets is a costly process. Therefore, recent studies have attempted to make the auxiliary model biased without the guidance (or annotation) of bias labels, by constraining the model's training environment or the capability of the model itself. Despite the promising debiasing results of recent works, the multi-class learning objective, which has been naively used to train the auxiliary model, may harm the bias mitigation effect due to its regularization effect and competitive nature across classes. As an alternative, we propose a new debiasing framework that introduces binary classifiers between the auxiliary model and the main model, coined bias experts. Specifically, each bias expert is trained on a binary classification task derived from the multi-class classification task via the One-vs-Rest approach. Experimental results demonstrate that our proposed strategy improves the bias identification ability of the auxiliary model. Consequently, our debiased model consistently outperforms the state-of-the-art on various challenge datasets.

Yeachan Kim, Bonggun Shin

In silico prediction of drug-target interactions (DTI) is significant for drug discovery because it can largely reduce timelines and costs in the drug development process. Specifically, deep learning-based DTI approaches have been shown promising results in terms of accuracy and low cost for the prediction. However, they pay little attention to the interpretability of their prediction results and feature-level interactions between a drug and a target. In this study, we propose a novel interpretable framework that can provide reasonable cues for the interaction sites. To this end, we elaborately design a gated cross-attention mechanism that crossly attends drug and target features by constructing explicit interactions between these features. The gating function in the method enables neural models to focus on salient regions over entire sequences of drugs and proteins, and the byproduct from the function, which is the attention map, could serve as interpretable factors. The experimental results show the efficacy of the proposed method in two DTI datasets. Additionally, we show that gated cross-attention can sensitively react to the mutation, and this result could provide insights into the identification of novel drugs targeting mutant proteins.