When trained with severely imbalanced data, deep neural networks often struggle to accurately recognize classes with only a few samples. Previous studies in long-tailed recognition have attempted to rebalance biased learning using known sample distributions, primarily addressing different classification difficulties at the class level. However, these approaches often overlook the instance difficulty variation within each class. In this paper, we propose a difficulty-aware balancing margin (DBM) loss, which considers both class imbalance and instance difficulty. DBM loss comprises two components: a class-wise margin to mitigate learning bias caused by imbalanced class frequencies, and an instance-wise margin assigned to hard positive samples based on their individual difficulty. DBM loss improves class discriminativity by assigning larger margins to more difficult samples. Our method seamlessly combines with existing approaches and consistently improves performance across various long-tailed recognition benchmarks.

Latent Bayesian optimization (LBO) approaches have successfully adopted Bayesian optimization over a continuous latent space by employing an encoder-decoder architecture to address the challenge of optimization in a high dimensional or discrete input space. LBO learns a surrogate model to approximate the black-box objective function in the latent space. However, we observed that most LBO methods suffer from the `misalignment problem`, which is induced by the reconstruction error of the encoder-decoder architecture. It hinders learning an accurate surrogate model and generating high-quality solutions. In addition, several trust region-based LBO methods select the anchor, the center of the trust region, based solely on the objective function value without considering the trust region`s potential to enhance the optimization process. To address these issues, we propose Inversion-based Latent Bayesian Optimization (InvBO), a plug-and-play module for LBO. InvBO consists of two components: an inversion method and a potential-aware trust region anchor selection. The inversion method searches the latent code that completely reconstructs the given target data. The potential-aware trust region anchor selection considers the potential capability of the trust region for better local optimization. Experimental results demonstrate the effectiveness of InvBO on nine real-world benchmarks, such as molecule design and arithmetic expression fitting tasks. Code is available at https://github.com/mlvlab/InvBO.

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language Models (LVLMs). However, the competency of the LLMs and instruction tuning have been less explored in the molecular domain. Thus, we propose LLaMo: Large Language Model-based Molecular graph assistant, which is an end-to-end trained large molecular graph-language model. To bridge the discrepancy between the language and graph modalities, we present the multi-level graph projector that transforms graph representations into graph tokens by abstracting the output representations of each GNN layer and motif representations with the cross-attention mechanism. We also introduce machine-generated molecular graph instruction data to instruction-tune the large molecular graph-language model for general-purpose molecule and language understanding. Our extensive experiments demonstrate that LLaMo shows the best performance on diverse tasks, such as molecular description generation, property prediction, and IUPAC name prediction. The code of LLaMo is available at https://github.com/mlvlab/LLaMo.

Knowledge graph-grounded dialog generation requires retrieving a dialog-relevant subgraph from the given knowledge base graph and integrating it with the dialog history. Previous works typically represent the graph using an external encoder, such as graph neural networks, and retrieve relevant triplets based on the similarity between single-vector representations of triplets and the dialog history. However, these external encoders fail to leverage the rich knowledge of pretrained language models, and the retrieval process is also suboptimal due to the information bottleneck caused by the single-vector abstraction of the dialog history. In this work, we propose Dialog generation with Generative Subgraph Retrieval (DialogGSR), which retrieves relevant knowledge subgraphs by directly generating their token sequences on top of language models. For effective generative subgraph retrieval, we introduce two key methods: (i) structure-aware knowledge graph linearization with self-supervised graph-specific tokens and (ii) graph-constrained decoding utilizing graph structural proximity-based entity informativeness scores for valid and relevant generative retrieval. DialogGSR achieves state-of-the-art performance in knowledge graph-grounded dialog generation, as demonstrated on OpenDialKG and KOMODIS datasets.

Chain-of-Thought (CoT) prompting has boosted the multi-step reasoning capabilities of Large Language Models (LLMs) by generating a series of rationales before the final answer. We analyze the reasoning paths generated by CoT and find two issues in multi-step reasoning: (i) Generating rationales irrelevant to the question, (ii) Unable to compose subquestions or queries for generating/retrieving all the relevant information. To address them, we propose a graph-guided CoT prompting method, which guides the LLMs to reach the correct answer with graph representation/verification steps. Specifically, we first leverage LLMs to construct a "question/rationale graph" by using knowledge extraction prompting given the initial question and the rationales generated in the previous steps. Then, the graph verification step diagnoses the current rationale triplet by comparing it with the existing question/rationale graph to filter out irrelevant rationales and generate follow-up questions to obtain relevant information. Additionally, we generate CoT paths that exclude the extracted graph information to represent the context information missed from the graph extraction. Our graph-guided reasoning method shows superior performance compared to previous CoT prompting and the variants on multi-hop question answering benchmark datasets.

Question Answering (QA) is a task that entails reasoning over natural language contexts, and many relevant works augment language models (LMs) with graph neural networks (GNNs) to encode the Knowledge Graph (KG) information. However, most existing GNN-based modules for QA do not take advantage of rich relational information of KGs and depend on limited information interaction between the LM and the KG. To address these issues, we propose Question Answering Transformer (QAT), which is designed to jointly reason over language and graphs with respect to entity relations in a unified manner. Specifically, QAT constructs Meta-Path tokens, which learn relation-centric embeddings based on diverse structural and semantic relations. Then, our Relation-Aware Self-Attention module comprehensively integrates different modalities via the Cross-Modal Relative Position Bias, which guides information exchange between relevant entites of different modalities. We validate the effectiveness of QAT on commonsense question answering datasets like CommonsenseQA and OpenBookQA, and on a medical question answering dataset, MedQA-USMLE. On all the datasets, our method achieves state-of-the-art performance. Our code is available at http://github.com/mlvlab/QAT.

Understanding document images (e.g., invoices) has been an important research topic and has many applications in document processing automation. Through the latest advances in deep learning-based Optical Character Recognition (OCR), current Visual Document Understanding (VDU) systems have come to be designed based on OCR. Although such OCR-based approach promise reasonable performance, they suffer from critical problems induced by the OCR, e.g., (1) expensive computational costs and (2) performance degradation due to the OCR error propagation. In this paper, we propose a novel VDU model that is end-to-end trainable without underpinning OCR framework. To this end, we propose a new task and a synthetic document image generator to pre-train the model to mitigate the dependencies on large-scale real document images. Our approach achieves state-of-the-art performance on various document understanding tasks in public benchmark datasets and private industrial service datasets. Through extensive experiments and analysis, we demonstrate the effectiveness of the proposed model especially with consideration for a real-world application.

Graph neural networks have shown superior performance in a wide range of applications providing a powerful representation of graph-structured data. Recent works show that the representation can be further improved by auxiliary tasks. However, the auxiliary tasks for heterogeneous graphs, which contain rich semantic information with various types of nodes and edges, have less explored in the literature. In this paper, to learn graph neural networks on heterogeneous graphs we propose a novel self-supervised auxiliary learning method using meta-paths, which are composite relations of multiple edge types. Our proposed method is learning to learn a primary task by predicting meta-paths as auxiliary tasks. This can be viewed as a type of meta-learning. The proposed method can identify an effective combination of auxiliary tasks and automatically balance them to improve the primary task. Our methods can be applied to any graph neural networks in a plug-in manner without manual labeling or additional data. The experiments demonstrate that the proposed method consistently improves the performance of link prediction and node classification on heterogeneous graphs.