Seojin Kim

Jongheon Jeong, Seojin Kim, Jinwoo Shin

Any classifier can be "smoothed out" under Gaussian noise to build a new classifier that is provably robust to $\ell_2$-adversarial perturbations, viz., by averaging its predictions over the noise via randomized smoothing. Under the smoothed classifiers, the fundamental trade-off between accuracy and (adversarial) robustness has been well evidenced in the literature: i.e., increasing the robustness of a classifier for an input can be at the expense of decreased accuracy for some other inputs. In this paper, we propose a simple training method leveraging this trade-off to obtain robust smoothed classifiers, in particular, through a sample-wise control of robustness over the training samples. We make this control feasible by using "accuracy under Gaussian noise" as an easy-to-compute proxy of adversarial robustness for an input. Specifically, we differentiate the training objective depending on this proxy to filter out samples that are unlikely to benefit from the worst-case (adversarial) objective. Our experiments show that the proposed method, despite its simplicity, consistently exhibits improved certified robustness upon state-of-the-art training methods. Somewhat surprisingly, we find these improvements persist even for other notions of robustness, e.g., to various types of common corruptions.

Yujin Cho, Mingeon Kim, Seojin Kim et al.

This study investigates the efficacy of Large Language Models (LLMs) in interactive language therapy for high-functioning autistic adolescents. With the rapid advancement of artificial intelligence, particularly in natural language processing, LLMs present a novel opportunity to augment traditional psychological counseling methods. This research primarily focuses on evaluating the LLM's ability to engage in empathetic, adaptable, and contextually appropriate interactions within a therapeutic setting. A comprehensive evaluation was conducted by a panel of clinical psychologists and psychiatrists using a specially developed scorecard. The assessment covered various aspects of the LLM's performance, including empathy, communication skills, adaptability, engagement, and the ability to establish a therapeutic alliance. The study avoided direct testing with patients, prioritizing privacy and ethical considerations, and instead relied on simulated scenarios to gauge the LLM's effectiveness. The results indicate that LLMs hold significant promise as supportive tools in therapy, demonstrating strengths in empathetic engagement and adaptability in conversation. However, challenges in achieving the depth of personalization and emotional understanding characteristic of human therapists were noted. The study also highlights the importance of ethical considerations in the application of AI in therapeutic contexts. This research provides valuable insights into the potential and limitations of using LLMs in psychological counseling for autistic adolescents. It lays the groundwork for future explorations into AI's role in mental health care, emphasizing the need for ongoing development to enhance the capabilities of these models in therapeutic settings.

Seonkyu Lim, Jaehyeon Park, Seojin Kim et al.

Long-term time series forecasting (LTSF) is a challenging task that has been investigated in various domains such as finance investment, health care, traffic, and weather forecasting. In recent years, Linear-based LTSF models showed better performance, pointing out the problem of Transformer-based approaches causing temporal information loss. However, Linear-based approach has also limitations that the model is too simple to comprehensively exploit the characteristics of the dataset. To solve these limitations, we propose LTSF-DNODE, which applies a model based on linear ordinary differential equations (ODEs) and a time series decomposition method according to data statistical characteristics. We show that LTSF-DNODE outperforms the baselines on various real-world datasets. In addition, for each dataset, we explore the impacts of regularization in the neural ordinary differential equation (NODE) framework.

Yehjin Shin, Seojin Kim, Noseong Park

State-space models (SSMs) offer efficient alternatives to attention with linear-time recurrence. Mamba2, a recent SSM-based language model, uses selective input gating and a multi-head structure, enabling parallel computation and strong benchmark performance. However, its multi-head recurrence operates independently without structured utilization or analysis. In this work, we propose a novel method called Hierarchical ADaptive filter bank for Efficient SSMs (HADES), a Graph Signal Processing (GSP)-inspired framework that reinterprets Mamba2 as an adaptive filter bank on a line graph. Our hierarchical architecture introduces two filter types: shared filters for global low-pass behavior and expert filters for local high-pass behavior, achieved through structured bias on the parameter Δ. HADES achieves comparable performance to baseline models including Mamba2 across various benchmarks in language modeling, commonsense reasoning, and long-context retrieval, while using only 58.9% of the original parameters. In this regard, HADES bridges GSP and neural sequence modeling, enabling efficient, hierarchical, and interpretable filtering within state-space models.

Seojin Kim, Hyeontae Song, Jaehyun Nam et al.

Recently, text-to-molecule models have shown great potential across various chemical applications, e.g., drug-discovery. These models adapt language models to molecular data by representing molecules as sequences of atoms. However, they rely on atom-level tokenizations, which primarily focus on modeling local connectivity, thereby limiting the ability of models to capture the global structural context within molecules. To tackle this issue, we propose a novel text-to-molecule model, coined Context-Aware Molecular T5 (CAMT5). Inspired by the significance of the substructure-level contexts in understanding molecule structures, e.g., ring systems, we introduce substructure-level tokenization for text-to-molecule models. Building on our tokenization scheme, we develop an importance-based training strategy that prioritizes key substructures, enabling CAMT5 to better capture the molecular semantics. Extensive experiments verify the superiority of CAMT5 in various text-to-molecule generation tasks. Intriguingly, we find that CAMT5 outperforms the state-of-the-art methods using only 2% of training tokens. In addition, we propose a simple yet effective ensemble strategy that aggregates the outputs of text-to-molecule models to further boost the generation performance. Code is available at https://github.com/Songhyeontae/CAMT5.git.

Seojin Kim, Jaehyun Nam, Sihyun Yu et al.

Developing an effective molecular generation framework even with a limited number of molecules is often important for its practical deployment, e.g., drug discovery, since acquiring task-related molecular data requires expensive and time-consuming experimental costs. To tackle this issue, we introduce Hierarchical textual Inversion for Molecular generation (HI-Mol), a novel data-efficient molecular generation method. HI-Mol is inspired by the importance of hierarchical information, e.g., both coarse- and fine-grained features, in understanding the molecule distribution. We propose to use multi-level embeddings to reflect such hierarchical features based on the adoption of the recent textual inversion technique in the visual domain, which achieves data-efficient image generation. Compared to the conventional textual inversion method in the image domain using a single-level token embedding, our multi-level token embeddings allow the model to effectively learn the underlying low-shot molecule distribution. We then generate molecules based on the interpolation of the multi-level token embeddings. Extensive experiments demonstrate the superiority of HI-Mol with notable data-efficiency. For instance, on QM9, HI-Mol outperforms the prior state-of-the-art method with 50x less training data. We also show the effectiveness of molecules generated by HI-Mol in low-shot molecular property prediction.

Yehjin Shin, Jeongwhan Choi, Seojin Kim et al.

Recently, convolutional filters have been increasingly adopted in sequential recommendation for their ability to capture local sequential patterns. However, most of these models complement convolutional filters with self-attention. This is because convolutional filters alone, generally fixed filters, struggle to capture global interactions necessary for accurate recommendation. We propose Time-Variant Convolutional Filters for Sequential Recommendation (TV-Rec), a model inspired by graph signal processing, where time-variant graph filters capture position-dependent temporal variations in user sequences. By replacing both fixed kernels and self-attention with time-variant filters, TV-Rec achieves higher expressive power and better captures complex interaction patterns in user behavior. This design not only eliminates the need for self-attention but also reduces computation while accelerating inference. Extensive experiments on six public benchmarks show that TV-Rec outperforms state-of-the-art baselines by an average of 7.49%.

Daewon Choi, Seunghyuk Oh, Saket Dingliwal et al.

Speculative decoding has emerged as a promising approach to accelerating large language model (LLM) generation using a fast drafter while maintaining alignment with the target model's distribution. However, existing approaches face a trade-off: external drafters offer flexibility but can suffer from slower drafting, while self-speculation methods use drafters tailored to the target model but require re-training. In this paper, we introduce novel drafters based on Mamba, a state-of-the-art state space model (SSM), as a solution that combines the best aspects of both approaches. By leveraging the linear structure of SSMs, our approach avoids the quadratic complexity inherent in traditional Transformer-based methods, enabling faster drafting and lower memory usage while maintaining the flexibility to work across different target models. We further enhance efficiency with a novel test-time tree search algorithm for generating high-quality draft candidates. Our empirical evaluation demonstrates that Mamba-based drafters not only outperform existing external drafting methods but are also comparable to state-of-the-art self-speculation approaches while using less memory and maintaining their cross-model adaptability.

Hanjin Kim, Jiseong Park, Seojin Kim et al.

Graph pooling, which compresses a whole graph into a smaller coarsened graph, is an essential component of graph representation learning. To efficiently compress a given graph, graph pooling methods often drop their nodes with attention-based scoring with the task loss. However, this often results in simply removing nodes with lower degrees without consideration of their feature-level relevance to the given task. To fix this problem, we propose a Multi-View Pruning(MVP), a graph pruning method based on a multi-view framework and reconstruction loss. Given a graph, MVP first constructs multiple graphs for different views either by utilizing the predefined modalities or by randomly partitioning the input features, to consider the importance of each node in diverse perspectives. Then, it learns the score for each node by considering both the reconstruction and the task loss. MVP can be incorporated with any hierarchical pooling framework to score the nodes. We validate MVP on multiple benchmark datasets by coupling it with two graph pooling methods, and show that it significantly improves the performance of the base graph pooling method, outperforming all baselines. Further analysis shows that both the encoding of multiple views and the consideration of reconstruction loss are the key to the success of MVP, and that it indeed identifies nodes that are less important according to domain knowledge.

Suhyeok Jang, Seojin Kim, Jinwoo Shin et al.

The remarkable advances in deep learning have led to the emergence of many off-the-shelf classifiers, e.g., large pre-trained models. However, since they are typically trained on clean data, they remain vulnerable to adversarial attacks. Despite this vulnerability, their superior performance and transferability make off-the-shelf classifiers still valuable in practice, demanding further work to provide adversarial robustness for them in a post-hoc manner. A recently proposed method, denoised smoothing, leverages a denoiser model in front of the classifier to obtain provable robustness without additional training. However, the denoiser often creates hallucination, i.e., images that have lost the semantics of their originally assigned class, leading to a drop in robustness. Furthermore, its noise-and-denoise procedure introduces a significant distribution shift from the original distribution, causing the denoised smoothing framework to achieve sub-optimal robustness. In this paper, we introduce Fine-Tuning with Confidence-Aware Denoised Image Selection (FT-CADIS), a novel fine-tuning scheme to enhance the certified robustness of off-the-shelf classifiers. FT-CADIS is inspired by the observation that the confidence of off-the-shelf classifiers can effectively identify hallucinated images during denoised smoothing. Based on this, we develop a confidence-aware training objective to handle such hallucinated images and improve the stability of fine-tuning from denoised images. In this way, the classifier can be fine-tuned using only images that are beneficial for adversarial robustness. We also find that such a fine-tuning can be done by updating a small fraction of parameters of the classifier. Extensive experiments demonstrate that FT-CADIS has established the state-of-the-art certified robustness among denoised smoothing methods across all $\ell_2$-adversary radius in various benchmarks.

Sheo Yon Jhin, Seojin Kim, Noseong Park

Time series forecasting has been an essential field in many different application areas, including economic analysis, meteorology, and so forth. The majority of time series forecasting models are trained using the mean squared error (MSE). However, this training based on MSE causes a limitation known as prediction delay. The prediction delay, which implies the ground-truth precedes the prediction, can cause serious problems in a variety of fields, e.g., finance and weather forecasting -- as a matter of fact, predictions succeeding ground-truth observations are not practically meaningful although their MSEs can be low. This paper proposes a new perspective on traditional time series forecasting tasks and introduces a new solution to mitigate the prediction delay. We introduce a continuous-time gated recurrent unit (GRU) based on the neural ordinary differential equation (NODE) which can supervise explicit time-derivatives. We generalize the GRU architecture in a continuous-time manner and minimize the prediction delay through our time-derivative regularization. Our method outperforms in metrics such as MSE, Dynamic Time Warping (DTW) and Time Distortion Index (TDI). In addition, we demonstrate the low prediction delay of our method in a variety of datasets.