35 accepted papers
Driven by recent advancements in tool-augmented Large Language Model (LLM) agents, comprehensive benchmark datasets for evaluating these tool-augmented agents are being actively developed. Although these benchmarks incorporate increasingly complex user requests and a diverse array of tools, the eval…
Recently, efficient Multimodal Large Language Models (MLLMs) have gained significant attention as a solution to their high computational complexity, making them more practical for real-world applications. In this regard, the knowledge distillation (KD) approach has emerged as a promising alternative…
Deep learning surrogates for 3D Partial Differential Equations (PDEs) often fail to generalize across geometric transformations because they depend heavily on specific coordinate systems. While equivariant networks offer a solution, they typically rely on local operations in the spatial domain, maki…
Spectral analysis provides crucial clues for the elucidation of unknown materials. Among various techniques, infrared spectroscopy (IR) plays an important role in laboratory settings due to its high accessibility and low cost. However, existing approaches often fail to reflect expert analytical proc…
Large Language Models (LLMs) have recently emerged as a powerful backbone for recommender systems. Existing LLM-based recommender systems take two different approaches for representing items in natural language, i.e., Attribute-based Representation and Description-based Representation. In this work,…
Predicting high-dimensional transcriptional responses to genetic perturbations is challenging due to severe experimental noise and sparse gene-level effects. Existing methods often suffer from mean collapse, where high correlation is achieved by predicting global average expression rather than pertu…
Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing critical challenges. First, it hinders the application of more flexible general-p
Speculative decoding accelerates LLM inference by verifying candidate tokens from a draft model against a larger target model. Recent "judge'' decoding boosts this process by relaxing verification criteria by accepting draft tokens that may exhibit minor discrepancies from target model output, but e…
Recent studies have attempted to fine-tune time-series foundation models to enhance a target dataset's forecasting performance. However, these approaches proceed without a clear criterion for identifying complex datasets that require fine-tuning due to performance degradation in zero-shot forecastin…
Molecular Relational Learning (MRL) is a rapidly growing field that focuses on understanding the interaction dynamics between molecules, which is crucial for applications ranging from catalyst engineering to drug discovery. Despite recent progress, earlier MRL approaches are limited to using only t…
Ambiguity remains a fundamental challenge in Natural Language Processing (NLP) due to the inherent complexity and flexibility of human language. With the advent of Large Language Models (LLMs), addressing ambiguity has become even more critical due to their expanded capabilities and applications. In
Despite the promising results of disentangled representation learning in discovering latent patterns in graph-structured data, few studies have explored disentanglement for hypergraph-structured data. Integrating hyperedge disentanglement into hypergraph neural networks enables models to leverage hi…
The retrieval augmented generation (RAG) framework addresses an ambiguity in user queries in QA systems by retrieving passages that cover all plausible interpretations and generating comprehensive responses based on the passages. However, our preliminary studies reveal that a single retrieval proces…
Spatially Resolved Transcriptomics (SRT) is a cutting-edge technique that captures the spatial context of cells within tissues, enabling the study of complex biological networks. Recent graph-based methods leverage both gene expression and spatial information to identify relevant spatial domains. Ho…
As the use of large language model (LLM) agents continues to grow, their safety vulnerabilities have become increasingly evident. Extensive benchmarks evaluate various aspects of LLM safety by defining the safety relying heavily on general standards, overlooking user-specific standards. However, saf
Scene Graph Generation (SGG) research has suffered from two fundamental challenges: the long-tailed predicate distribution and semantic ambiguity between predicates. These challenges lead to a bias towards head predicates in SGG models, favoring dominant general predicates while overlooking fine-gra…
Recently, interpreting complex charts with logical reasoning has emerged as challenges due to the development of vision-language models. A prior state-of-the-art (SOTA) model has presented an end-to-end method that leverages the vision-language model to convert charts into table format utilizing Lar…
Physical properties derived from electronic distributions are essential information that determines molecular properties. However, the electron-level information is not accessible in most real-world complex molecules due to the extensive computational costs of determining uncertain electronic distri…
Federated Learning (FL) on graphs enables collaborative model training to enhance performance without compromising the privacy of each client. However, existing methods often overlook the mutable nature of graph data, which frequently introduces new nodes and leads to shifts in label distribution. S…
Mesh-based 3D static analysis methods have recently emerged as efficient alternatives to traditional computational numerical solvers, significantly reducing computational costs and runtime for various physics-based analyses. However, these methods primarily focus on surface topology and geometry, of…
In real-world applications, node features in graphs often contain noise from various sources, leading to significant performance degradation in GNNs. Although several methods have been developed to enhance robustness, they rely on the unrealistic assumption that noise in node features is independent…
Existing Video Scene Graph Generation (VidSGG) studies are trained in a fully supervised manner, which requires all frames in a video to be annotated, thereby incurring high annotation cost compared to Image Scene Graph Generation (ImgSGG). Although the annotation cost of VidSGG can be alleviated by…
Scene graph generation (SGG) models have suffered from inherent problems regarding the benchmark datasets such as the long-tailed predicate distribution and missing annotation problems. In this work, we aim to alleviate the long-tailed problem of SGG by utilizing unannotated triplets. To this end, w…
Weakly-Supervised Scene Graph Generation (WSSGG) research has recently emerged as an alternative to the fully-supervised approach that heavily relies on costly annotations. In this regard studies on WSSGG have utilized image captions to obtain unlocalized triplets while primarily focusing on groundi…
"Recent advancements in graph-based approaches for multiplexed immunofluorescence (mIF) images have significantly propelled the field forward, offering deeper insights into patient-level phenotyping. However, current graph-based methodologies encounter two primary challenges: 172 Cellular Heterogene…
While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to organic retrosynthesis planning. In this paper, we propose Retrieval-Retro for inorganic retrosynthesis planning, which i…
"The scene graph generation (SGG) task involves detecting objects within an image and predicting predicates that represent the relationships between the objects. However, in SGG benchmark datasets, each subject-object pair is annotated with a single predicate even though a single predicate may exhib…
A fundamental challenge of bipartite graph representation learning is how to extract informative node embeddings. Self-Supervised Learning (SSL) is a promising paradigm to address this challenge. Most recent bipartite graph SSL methods are based on contrastive learning which learns embeddings by dis…
We propose Unsupervised Episode Generation method called **Neighbors as Queries (NaQ)** to solve the Few-Shot Node-Classification (FSNC) task by *unsupervised Graph Meta-learning*. Doing so enables full utilization of the information of all nodes in a graph, which is not possible in current supervis…
Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling…
The density of states (DOS) is a spectral property of crystalline materials, which provides fundamental insights into various characteristics of the materials. While previous works mainly focus on obtaining high-quality representations of crystalline materials for DOS prediction, we focus on predict…
Routine clinical visits of a patient produce not only image data, but also non-image data containing clinical information regarding the patient, i.e., medical data is multi-modal in nature. Such heterogeneous modalities offer different and complementary perspectives on the same patient, resulting in…
The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent explanations for black-box models. Recently, the use of prototypes has…
Recent scene graph generation (SGG) frameworks have focused on learning complex relationships among multiple objects in an image. Thanks to the nature of the message passing neural network (MPNN) that models high-order interactions between objects and their neighboring objects, they are dominant rep…
Inspired by the recent success of self-supervised methods applied on images, self-supervised learning on graph structured data has seen rapid growth especially centered on augmentation-based contrastive methods. However, we argue that without carefully designed augmentation techniques, augmentations…