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In drug discovery, molecular optimization aims to iteratively refine a lead compound to improve molecular properties while preserving structural similarity to the original molecule. However, each oracle evaluation is expensive, making…

Machine Learning · Computer Science 2026-04-15 Ziqing Wang , Yibo Wen , Abhishek Pandy , Han Liu , Kaize Ding

Large Language Models (LLMs) based agents excel at diverse tasks, yet they suffer from brittle procedural memory that is manually engineered or entangled in static parameters. In this work, we investigate strategies to endow agents with a…

Computation and Language · Computer Science 2026-04-16 Runnan Fang , Yuan Liang , Xiaobin Wang , Jialong Wu , Shuofei Qiao , Pengjun Xie , Fei Huang , Huajun Chen , Ningyu Zhang

Learning-based autonomous driving requires continuous integration of diverse knowledge in complex traffic , yet existing methods exhibit significant limitations in adaptive capabilities. Addressing this gap demands autonomous driving…

Robotics · Computer Science 2025-02-18 Yixin Cui , Shuo Yang , Chi Wan , Xincheng Li , Jiaming Xing , Yuanjian Zhang , Yanjun Huang , Hong Chen

Mixture-of-Experts (MoE) models improve the scalability of large language models (LLMs) by activating only a small subset of relevant experts per input. However, the sheer number of expert networks in an MoE model introduces a significant…

Machine Learning · Computer Science 2026-03-03 Qian Chen , Xianhao Chen , Kaibin Huang

We present a novel approach called Mixture of Mixture of Expert (MoMoE) that combines the strengths of Mixture-of-Experts (MoE) architectures with collaborative multi-agent frameworks. By modifying the LLaMA 3.1 8B architecture to…

Computational Engineering, Finance, and Science · Computer Science 2025-11-19 Peng Shu , Junhao Chen , Zhengliang Liu , Hanqi Jiang , Yi Pan , Khanh Nhu Nguyen , Zihao Wu , Huaqin Zhao , Yiwei Li , Enze Shi , ShaoChen Xu

As foundational models reshape scientific discovery, a bottleneck persists in dynamical system reconstruction (DSR): the ability to learn across system hierarchies. Many meta-learning approaches have been applied successfully to single…

Machine Learning · Computer Science 2025-06-12 Roussel Desmond Nzoyem , Grant Stevens , Amarpal Sahota , David A. W. Barton , Tom Deakin

Large Vision-Language Models (LVLMs) have demonstrated remarkable performance across multi-modal tasks by scaling model size and training data. However, these dense LVLMs incur significant computational costs and motivate the exploration of…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Dianyi Wang , Siyuan Wang , Zejun Li , Yikun Wang , Yitong Li , Duyu Tang , Xiaoyu Shen , Xuanjing Huang , Zhongyu Wei

Mixture-of-Experts (MoE) models provide a structured approach to combining specialized neural networks and offer greater interpretability than conventional ensembles. While MoEs have been successfully applied to image classification and…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Svetlana Pavlitska , Malte Stüven , Beyza Keskin , J. Marius Zöllner

Exploiting the power of pre-trained models, prompt-based approaches stand out compared to other continual learning solutions in effectively preventing catastrophic forgetting, even with very few learnable parameters and without the need for…

Machine Learning · Computer Science 2025-01-07 Minh Le , An Nguyen , Huy Nguyen , Trang Nguyen , Trang Pham , Linh Van Ngo , Nhat Ho

The emergence of large-scale Mixture of Experts (MoE) models represents a significant advancement in artificial intelligence, offering enhanced model capacity and computational efficiency through conditional computation. However, deploying…

Machine Learning · Computer Science 2025-01-23 Jiacheng Liu , Peng Tang , Wenfeng Wang , Yuhang Ren , Xiaofeng Hou , Pheng-Ann Heng , Minyi Guo , Chao Li

Mixture of Experts (MoE) models based on Transformer architecture are pushing the boundaries of language and vision tasks. The allure of these models lies in their ability to substantially increase the parameter count without a…

Mixture-of-Experts (MoE) Large Language Models (LLMs) efficiently scale-up the model while keeping relatively low inference cost. As MoE models only activate part of the experts, related work has proposed expert prediction and caching…

Computation and Language · Computer Science 2025-11-17 Shien Zhu , Samuel Bohl , Robin Oester , Gustavo Alonso

Mixture-of-Experts (MoE) models have gained popularity as a means of scaling the capacity of large language models (LLMs) while maintaining sparse activations and reduced per-token compute. However, in memory-constrained inference settings,…

Machine Learning · Computer Science 2026-03-23 Vivan Madan , Prajwal Singhania , Abhinav Bhatele , Tom Goldstein , Ashwinee Panda

We introduce \emph{Memento-Skills}, a generalist, continually-learnable LLM agent system that functions as an \emph{agent-designing agent}: it autonomously constructs, adapts, and improves task-specific agents through experience. The system…

Continually expanding new languages for existing large language models (LLMs) is a promising yet challenging approach to building powerful multilingual LLMs. The biggest challenge is to make the model continuously learn new languages while…

Computation and Language · Computer Science 2025-05-29 Xue Zhang , Yunlong Liang , Fandong Meng , Songming Zhang , Yufeng Chen , Jinan Xu , Jie Zhou

Among parallel decoding paradigms, diffusion large language models (dLLMs) have emerged as a promising candidate that balances generation quality and throughput. However, their integration with Mixture-of-Experts (MoE) architectures is…

Machine Learning · Computer Science 2026-02-03 Hao Mark Chen , Zhiwen Mo , Royson Lee , Qianzhou Wang , Da Li , Shell Xu Hu , Wayne Luk , Timothy Hospedales , Hongxiang Fan

The real-world traffic networks undergo expansion through the installation of new sensors, implying that the traffic patterns continually evolve over time. Incrementally training a model on the newly added sensors would make the model…

Machine Learning · Computer Science 2024-06-06 Sanghyun Lee , Chanyoung Park

The advancement of deep learning has led to the emergence of Mixture-of-Experts (MoEs) models, known for their dynamic allocation of computational resources based on input. Despite their promise, MoEs face challenges, particularly in terms…

Computation and Language · Computer Science 2024-04-09 Alexandre Muzio , Alex Sun , Churan He

Fine-tuning large language models (LLMs) with Low-Rank adaption (LoRA) is widely acknowledged as an effective approach for continual learning for new tasks. However, it often suffers from catastrophic forgetting when dealing with multiple…

Computation and Language · Computer Science 2024-10-01 Jialin Liu , Jianhua Wu , Jie Liu , Yutai Duan

Mixture of experts (MoE) is a popular technique to improve capacity of Large Language Models (LLMs) with conditionally-activated parallel experts. However, serving MoE models on memory-constrained devices is challenging due to the large…

Artificial Intelligence · Computer Science 2024-05-30 Rui Kong , Yuanchun Li , Qingtian Feng , Weijun Wang , Xiaozhou Ye , Ye Ouyang , Linghe Kong , Yunxin Liu
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