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In this work, we propose a simple transformer-based baseline for multimodal molecular representation learning, integrating three distinct modalities: SMILES strings, 2D graph representations, and 3D conformers of molecules. A key aspect of…

Machine Learning · Computer Science 2024-10-25 Andrei Manolache , Dragos Tantaru , Mathias Niepert

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

Machine Learning · Computer Science 2025-06-05 Jinho Chang , Jong Chul Ye

Industrial recommender systems increasingly adopt multi-scenario learning (MSL) and multi-task learning (MTL) to handle diverse user interactions and contexts, but existing approaches suffer from two critical drawbacks: (1) underutilization…

Information Retrieval · Computer Science 2026-02-11 Shanlei Mu , Yuchen Jiang , Shikang Wu , Shiyong Hong , Tianmu Sha , Junjie Zhang , Jie Zhu , Zhe Chen , Zhe Wang , Jingjian Lin

Scaling humanoid foundation models is bottlenecked by the scarcity of robotic data. While massive egocentric human data offers a scalable alternative, bridging the cross-embodiment chasm remains a fundamental challenge due to kinematic…

Robotics · Computer Science 2026-04-22 Boyu Chen , Yi Chen , Lu Qiu , Jerry Bai , Yuying Ge , Yixiao Ge

Large Language Models (LLMs) have been widely used in various tasks, motivating us to develop an LLM-based assistant for videos. Instead of training from scratch, we propose a module to transform arbitrary well-trained image-based LLMs into…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Lishuai Gao , Yujie Zhong , Yingsen Zeng , Haoxian Tan , Dengjie Li , Zheng Zhao

The task of long-term action anticipation demands solutions that can effectively model temporal dynamics over extended periods while deeply understanding the inherent semantics of actions. Traditional approaches, which primarily rely on…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Binglu Wang , Yao Tian , Shunzhou Wang , Le Yang

Organic reaction, the foundation of modern chemical industry, is crucial for new material development and drug discovery. However, deciphering reaction mechanisms and modeling multi-molecular relationships remain formidable challenges due…

Chemical Physics · Physics 2025-08-13 Lirong Wu , Junjie Wang , Zhifeng Gao , Xiaohong Ji , Rong Zhu , Xinyu Li , Linfeng Zhang , Guolin Ke , Weinan E

Unlearning in Multimodal Large Language Models (MLLMs) prevents the model from revealing private information when queried about target images. Existing MLLM unlearning methods largely adopt approaches developed for LLMs. They treat all…

Machine Learning · Computer Science 2026-01-30 Chengyi Cai , Zesheng Ye , Peike Li , Bo Han , Jianzhong Qi , Feng Liu

Latent diffusion models (LDMs) enable high-fidelity synthesis by operating in learned latent spaces. However, training state-of-the-art LDMs requires complex staging: a tokenizer must be trained first, before the diffusion model can be…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Shivam Duggal , Xingjian Bai , Zongze Wu , Richard Zhang , Eli Shechtman , Antonio Torralba , Phillip Isola , William T. Freeman

In-context learning (ICL) facilitates Large Language Models (LLMs) exhibiting emergent ability on downstream tasks without updating billions of parameters. However, in the area of multi-modal Large Language Models (MLLMs), two problems…

Multimedia · Computer Science 2024-07-02 Jun Gao , Qian Qiao , Ziqiang Cao , Zili Wang , Wenjie Li

Current speech large language models build upon discrete speech representations, which can be categorized into semantic tokens and acoustic tokens. However, existing speech tokens are not specifically designed for speech language modeling.…

Computation and Language · Computer Science 2024-01-24 Xin Zhang , Dong Zhang , Shimin Li , Yaqian Zhou , Xipeng Qiu

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

Large language models (LLMs) process and predict sequences containing text to answer questions, and address tasks including document summarization, providing recommendations, writing software and solving quantitative problems. We provide a…

Numerical Analysis · Mathematics 2026-02-02 Ricardo Baptista , Andrew Stuart , Son Tran

Unified models can handle both multimodal understanding and generation within a single architecture, yet they typically operate in a single pass without iteratively refining their outputs. Many multimodal tasks, especially those involving…

Computer Vision and Pattern Recognition · Computer Science 2026-02-13 Leon Liangyu Chen , Haoyu Ma , Zhipeng Fan , Ziqi Huang , Animesh Sinha , Xiaoliang Dai , Jialiang Wang , Zecheng He , Jianwei Yang , Chunyuan Li , Junzhe Sun , Chu Wang , Serena Yeung-Levy , Felix Juefei-Xu

Cross-modal text-molecule retrieval model aims to learn a shared feature space of the text and molecule modalities for accurate similarity calculation, which facilitates the rapid screening of molecules with specific properties and…

Information Retrieval · Computer Science 2024-11-01 Jia Song , Wanru Zhuang , Yujie Lin , Liang Zhang , Chunyan Li , Jinsong Su , Song He , Xiaochen Bo

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in…

Biomolecules · Quantitative Biology 2026-05-19 Zhiyuan Yan , Chen Liu , Boxuan Zhao , Kaiqing Lin , Jixiang Zhao , Yimi Wang , Liuzhenghao Lv , Hao Li , Shanzhuo Zhang , Li Yuan , Fanyang Mo

Change detection (CD) is a fundamental task for monitoring and analyzing land cover dynamics. While recent high performance models and high quality datasets have significantly advanced the field, a critical limitation persists. Current…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Xu Zhang , Danyang Li , Xiaohang Dong , Tianhao Wu , Hualong Yu , Jianye Wang , Qicheng Li , Xiang Li

Large language models (LLMs) require iterative updates to address the outdated information problem, where LLM unlearning offers an approach for selective removal. However, mainstream unlearning methods primarily rely on fine-tuning…

Computation and Language · Computer Science 2025-09-29 Miao Yu , Liang Lin , Guibin Zhang , Xinfeng Li , Junfeng Fang , Xingrui Yu , Ivor Tsang , Ningyu Zhang , Kun Wang , Yang Wang

This research introduces a transformative framework for integrating Vision-Enhanced Large Language Models (LLMs) with advanced transformer-based architectures to tackle challenges in high-resolution image synthesis and multimodal data…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Karthikeya KV

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

Computation and Language · Computer Science 2025-04-08 Jiatong Li , Wei Liu , Zhihao Ding , Wenqi Fan , Yuqiang Li , Qing Li
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