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Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…

Artificial Intelligence · Computer Science 2026-04-08 Seohyeon Shin , HanJun Choi , Jun-Hyung Park , Hong Kook Kim , Mansu Kim

Incomplete Multi-View Clustering (IMVC) faces the challenge of learning discriminative representations from fragmentary observations while maintaining robustness against missing views. However, prevalent Euclidean-based methods suffer from…

Machine Learning · Computer Science 2026-04-21 Tianyi Chen , Haobo Wang , Kai Tang , Gengyu Lyu , Tianlei Hu , Gang Chen , Hong Ma , Meixiang Xiang

Fine-grained emotion classification (FEC) is a challenging task. Specifically, FEC needs to handle subtle nuance between labels, which can be complex and confusing. Most existing models only address text classification problem in the…

Computation and Language · Computer Science 2023-06-27 Chih-Yao Chen , Tun-Min Hung , Yi-Li Hsu , Lun-Wei Ku

Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to…

Social and Information Networks · Computer Science 2025-10-15 Bingqiao Gu , Jiale Zeng , Xingqin Qi , Dong Li

How do neural language models acquire a language's structure when trained for next-token prediction? We address this question by deriving theoretical scaling laws for neural network performance on synthetic datasets generated by the Random…

Machine Learning · Computer Science 2025-05-13 Francesco Cagnetta , Alessandro Favero , Antonio Sclocchi , Matthieu Wyart

Microscopy images contain rich information about how cells respond to perturbations, making them essential to applications like drug screening. To quantify images, researchers often use representation extraction methods, and recent years…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Emre Hayir , Lorin Crawford , Alex X. Lu

While Vision-Language Models (VLMs) have achieved remarkable performance, their Euclidean embeddings remain limited in capturing hierarchical relationships such as part-to-whole or parent-child structures, and often face challenges in…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Hayeon Kim , Ji Ha Jang , Junghun James Kim , Se Young Chun

We consider the problem of multi-label classification where the labels lie in a hierarchy. However, unlike most existing works in hierarchical multi-label classification, we do not assume that the label-hierarchy is known. Encouraged by the…

Machine Learning · Computer Science 2021-01-14 Soumya Chatterjee , Ayush Maheshwari , Ganesh Ramakrishnan , Saketha Nath Jagaralpudi

Existing Masked Image Modeling methods apply fixed mask patterns to guide the self-supervised training. As those mask patterns resort to different criteria to depict image contents, sticking to a fixed pattern leads to a limited vision cues…

Computer Vision and Pattern Recognition · Computer Science 2025-04-15 Zhanzhou Feng , Shiliang Zhang

Inspired by the success of large language models (LLM) for DNA and proteins, several LLM for RNA have been developed recently. RNA-LLM uses large datasets of RNA sequences to learn, in a self-supervised way, how to represent each RNA base…

Artificial Intelligence · Computer Science 2025-02-04 L. I. Zablocki , L. A. Bugnon , M. Gerard , L. Di Persia , G. Stegmayer , D. H. Milone

Representation learning on large-scale unstructured volumetric and surface meshes poses significant challenges in neuroimaging, especially when models must incorporate diverse vertex-level morphometric descriptors, such as cortical…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Yujian Xiong , Mohammad Farazi , Yanxi Chen , Wenhui Zhu , Xuanzhao Dong , Natasha Lepore , Yi Su , Raza Mushtaq , Stephen Foldes , Andrew Yang , Yalin Wang

The organization of latent token representations plays a crucial role in determining the stability, generalization, and contextual consistency of language models, yet conventional approaches to embedding refinement often rely on parameter…

Computation and Language · Computer Science 2025-03-26 Meiquan Dong , Haoran Liu , Yan Huang , Zixuan Feng , Jianhong Tang , Ruoxi Wang

Learning accurate drug representations is essential for task such as computational drug repositioning. A drug hierarchy is a valuable source that encodes knowledge of relations among drugs in a tree-like structure where drugs that act on…

Biomolecules · Quantitative Biology 2022-08-15 Ke Yu , Shyam Visweswaran , Kayhan Batmanghelich

Finding suitable embeddings for connectomes (spatially embedded complex networks that map neural connections in the brain) is crucial for analyzing and understanding cognitive processes. Recent studies have found two-dimensional hyperbolic…

Neurons and Cognition · Quantitative Biology 2024-07-24 Dorota Celińska-Kopczyńska , Eryk Kopczyński

Electronic health record (EHR) question answering is often handled by LLM-based pipelines that are costly to deploy and do not explicitly leverage the hierarchical structure of clinical data. Motivated by evidence that medical ontologies…

Artificial Intelligence · Computer Science 2026-04-24 Yuyu Liu , Sarang Rajendra Patil , Mengjia Xu , Tengfei Ma

Robust generalization beyond training distributions remains a critical challenge for deep neural networks. This is especially pronounced in medical image analysis, where data is often scarce and covariate shifts arise from different…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Francesco Di Salvo , Sebastian Doerrich , Jonas Alle , Christian Ledig

Despite the prevalence of hypergraphs in a variety of high-impact applications, there are relatively few works on hypergraph representation learning, most of which primarily focus on hyperlink prediction, often restricted to the…

Machine Learning · Computer Science 2021-05-25 Boxin Du , Changhe Yuan , Robert Barton , Tal Neiman , Hanghang Tong

Molecular representation learning plays a crucial role in AI-assisted drug discovery research. Encoding 3D molecular structures through Euclidean neural networks has become the prevailing method in the geometric deep learning community.…

Machine Learning · Computer Science 2023-03-29 Yiqun Wang , Yuning Shen , Shi Chen , Lihao Wang , Fei Ye , Hao Zhou

Clustering is a fundamental unsupervised learning task for uncovering patterns in data. While Gaussian Blurring Mean Shift (GBMS) has proven effective for identifying arbitrarily shaped clusters in Euclidean space, it struggles with…

Machine Learning · Computer Science 2025-12-15 Arghya Pratihar , Arnab Seal , Swagatam Das , Inesh Chattopadhyay

The impressive performance gains of modern language models currently rely on scaling parameters: larger models store more world knowledge and reason better. Yet compressing all world knowledge into parameters is unnecessary, as only a…

Computation and Language · Computer Science 2026-03-24 Hadi Pouransari , David Grangier , C Thomas , Michael Kirchhof , Oncel Tuzel