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We propose ControlMLLM++, a novel test-time adaptation framework that injects learnable visual prompts into frozen multimodal large language models (MLLMs) to enable fine-grained region-based visual reasoning without any model retraining or…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Mingrui Wu , Hao Chen , Jiayi Ji , Xiaoshuai Sun , Zhiyuan Liu , Liujuan Cao , Ming-Ming Cheng , Rongrong Ji

Efficient multimodal large language models (EMLLMs), in contrast to multimodal large language models (MLLMs), reduce model size and computational costs and are often deployed on resource-constrained devices. However, due to data privacy…

Vision-Language Models (VLMs) have shown strong performance in tasks like visual question answering and multimodal text generation, but their effectiveness in scientific domains such as materials science remains limited. While some machine…

Machine Learning · Computer Science 2025-11-11 An Vuong , Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

Current multimodal language model (MLM) training approaches overlook the influence of instruction templates. Previous research deals with this problem by leveraging hand-crafted or model-generated templates, failing to investigate the…

Computer Vision and Pattern Recognition · Computer Science 2025-04-09 Shijian Wang , Linxin Song , Jieyu Zhang , Ryotaro Shimizu , Jiarui Jin , Ao Luo , Yuan Lu , Li Yao , Cunjian Chen , Julian McAuley , Wentao Zhang , Hanqian Wu

Large language models (LLMs) with billions of parameters and pretrained on massive amounts of data are now capable of near or better than state-of-the-art performance in a variety of downstream natural language processing tasks. Neural…

Computation and Language · Computer Science 2024-07-08 Victor Agostinelli , Max Wild , Matthew Raffel , Kazi Ahmed Asif Fuad , Lizhong Chen

Large Language Models (LLMs) have emerged as powerful tools for automating complex reasoning and decision-making tasks. In telecommunications, they hold the potential to transform network optimization, automate troubleshooting, enhance…

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

Machine Learning · Computer Science 2025-08-25 Kamran Chitsaz , Roshan Balaji , Quentin Fournier , Nirav Pravinbhai Bhatt , Sarath Chandar

Large Language Models (LLMs) have demonstrated remarkable performance across various domains, motivating researchers to investigate their potential use in recommendation systems. However, directly applying LLMs to recommendation tasks has…

Information Retrieval · Computer Science 2024-06-21 Zhuoxi Bai , Ning Wu , Fengyu Cai , Xinyi Zhu , Yun Xiong

The reusability of state-of-the-art Pre-trained Language Models (PLMs) is often limited by their generalization problem, where their performance drastically decreases when evaluated on examples that differ from the training dataset, known…

Computation and Language · Computer Science 2023-08-09 Somayeh Ghanbarzadeh , Hamid Palangi , Yan Huang , Radames Cruz Moreno , Hamed Khanpour

The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge…

Machine Learning · Computer Science 2024-12-11 Kaiwei Zhang , Yange Lin , Guangcheng Wu , Yuxiang Ren , Xuecang Zhang , Bo wang , Xiaoyu Zhang , Weitao Du

Multimodal Large Language Models (MLLMs) have become increasingly important due to their state-of-the-art performance and ability to integrate multiple data modalities, such as text, images, and audio, to perform complex tasks with high…

Large language models (LLMs) holds significant promise in achieving general medication recommendation systems owing to their comprehensive interpretation of clinical notes and flexibility to medication encoding. We evaluated both…

Information Retrieval · Computer Science 2025-08-05 Zihao Zhao , Chenxiao Fan , Junlong Liu , Zheng Wang , Xiangnan He , Chongming Gao , Juan Li , Fuli Feng

For the past 25 years, we have witnessed an extensive application of Machine Learning to the Compiler space; the selection and the phase-ordering problem. However, limited works have been upstreamed into the state-of-the-art compilers,…

Programming Languages · Computer Science 2023-01-18 Amir H. Ashouri , Mostafa Elhoushi , Yuzhe Hua , Xiang Wang , Muhammad Asif Manzoor , Bryan Chan , Yaoqing Gao

Large Language Models (LLMs) have achieved remarkable performance across various reasoning tasks, yet post-training is constrained by inefficient sample utilization and inflexible difficulty samples processing. To address these limitations,…

Large language models (LLMs) are increasingly used to create content in regulated domains such as pharmaceuticals, where outputs must be scientifically accurate and legally compliant. Manual quality control (QC) is slow, error prone, and…

Machine Learning · Computer Science 2026-02-13 Suyash Mishra , Qiang Li , Anubhav Girdhar

Molecular Property Prediction (MPP) is a fundamental problem in drug discovery that has recently attracted growing attention. Large Language Models (LLMs), known for their impressive proficiency across domains, show promise as generalist…

Machine Learning · Computer Science 2026-05-28 Khiem Le , Sreejata Dey , Marcos Martínez Galindo , Vanessa Lopez , Ting Hua , Nitesh V. Chawla , Hoang Thanh Lam

In recent years, the size of pre-trained language models (PLMs) has grown by leaps and bounds. However, efficiency issues of these large-scale PLMs limit their utilization in real-world scenarios. We present a suite of cost-effective…

Code Large Language Models (Code LLMs) have demonstrated outstanding performance in code-related tasks. Several instruction tuning approaches have been proposed to boost the code generation performance of pre-trained Code LLMs. In this…

Computation and Language · Computer Science 2024-02-15 Yejie Wang , Keqing He , Guanting Dong , Pei Wang , Weihao Zeng , Muxi Diao , Yutao Mou , Mengdi Zhang , Jingang Wang , Xunliang Cai , Weiran Xu

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo
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