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Large text-to-image diffusion models have impressive capabilities in generating photorealistic images from text prompts. How to effectively guide or control these powerful models to perform different downstream tasks becomes an important…

Computer Vision and Pattern Recognition · Computer Science 2024-03-15 Zeju Qiu , Weiyang Liu , Haiwen Feng , Yuxuan Xue , Yao Feng , Zhen Liu , Dan Zhang , Adrian Weller , Bernhard Schölkopf

Out-of-distribution (OOD) detection is a critical task for reliable predictions over text. Fine-tuning with pre-trained language models has been a de facto procedure to derive OOD detectors with respect to in-distribution (ID) data. Despite…

Computation and Language · Computer Science 2023-05-23 Rheeya Uppaal , Junjie Hu , Yixuan Li

Out-of-distribution (OOD) generalisation is considered a hallmark of human and animal intelligence. To achieve OOD through composition, a system must discover the environment-invariant properties of experienced input-output mappings and…

Machine Learning · Computer Science 2025-05-19 George Dimitriadis , Spyridon Samothrakis

Fine-tuning flow matching models is a central challenge in settings with limited data, evolving distributions, or strict efficiency demands, where unconstrained fine-tuning can erode the accuracy and efficiency gains learned during…

Machine Learning · Computer Science 2026-02-02 Gudrun Thorkelsdottir , Arindam Banerjee

Point cloud foundation models demonstrate strong generalization, yet adapting them to downstream tasks remains challenging in low-data regimes. Full fine-tuning often leads to overfitting and significant drift from pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Sneha Paul , Zachary Patterson , Nizar Bouguila

Machine learning models, while progressively advanced, rely heavily on the IID assumption, which is often unfulfilled in practice due to inevitable distribution shifts. This renders them susceptible and untrustworthy for deployment in…

Machine Learning · Computer Science 2024-03-05 Han Yu , Jiashuo Liu , Xingxuan Zhang , Jiayun Wu , Peng Cui

Fine-tuning pretrained models is a standard and effective workflow in modern machine learning. However, robust fine-tuning (RFT), which aims to simultaneously achieve adaptation to a downstream task and robustness to adversarial examples,…

Geometric machine learning models such as graph neural networks have achieved remarkable success in recent years in chemical and materials science research for applications such as high-throughput virtual screening and atomistic…

Materials Science · Physics 2025-04-16 Lingyu Kong , Nima Shoghi , Guoxiang Hu , Pan Li , Victor Fung

To detect distribution shifts and improve model safety, many out-of-distribution (OOD) detection methods rely on the predictive uncertainty or features of supervised models trained on in-distribution data. In this paper, we critically…

Machine Learning · Computer Science 2025-07-03 Yucen Lily Li , Daohan Lu , Polina Kirichenko , Shikai Qiu , Tim G. J. Rudner , C. Bayan Bruss , Andrew Gordon Wilson

Feature Transformation (FT) crafts new features from original ones via mathematical operations to enhance dataset expressiveness for downstream models. However, existing FT methods exhibit critical limitations: discrete search struggles…

Machine Learning · Computer Science 2025-05-22 Nanxu Gong , Zijun Li , Sixun Dong , Haoyue Bai , Wangyang Ying , Xinyuan Wang , Yanjie Fu

Fine-tuning is widely applied in image classification tasks as a transfer learning approach. It re-uses the knowledge from a source task to learn and obtain a high performance in target tasks. Fine-tuning is able to alleviate the challenge…

Computer Vision and Pattern Recognition · Computer Science 2022-07-27 Xuyang Shen , Jo Plested , Sabrina Caldwell , Yiran Zhong , Tom Gedeon

In the era of foundation models, fine-tuning pre-trained models for specific downstream tasks has become crucial. This drives the need for robust fine-tuning methods to address challenges such as model overfitting and sparse labeling.…

Machine Learning · Computer Science 2025-12-12 Shikun Liu , Deyu Zou , Nima Shoghi , Victor Fung , Kai Liu , Pan Li

This paper presents a novel evaluation framework for Out-of-Distribution (OOD) detection that aims to assess the performance of machine learning models in more realistic settings. We observed that the real-world requirements for testing OOD…

Computer Vision and Pattern Recognition · Computer Science 2023-09-01 Vahid Reza Khazaie , Anthony Wong , Mohammad Sabokrou

Pre-trained neural language models bring significant improvement for various NLP tasks, by fine-tuning the models on task-specific training sets. During fine-tuning, the parameters are initialized from pre-trained models directly, which…

Computation and Language · Computer Science 2020-09-17 Chengyu Wang , Minghui Qiu , Jun Huang , Xiaofeng He

Finetuning language models for a new domain inevitably leads to the deterioration of their general performance. This becomes more pronounced the more limited the finetuning data resource. We introduce minifinetuning (MFT), a method for…

Machine Learning · Computer Science 2025-06-23 Peter Belcak , Greg Heinrich , Jan Kautz , Pavlo Molchanov

Robust prediction of molecular properties under extreme out-of-distribution (OOD) scenarios is a pivotal bottleneck in AI-driven drug discovery. Current scaffold-splitting protocols fail to obstruct microscopic semantic overlap,…

Machine Learning · Computer Science 2026-05-15 Zhuohao Lin , Kun Li , Jiameng Chen , Jiajun Yu , Duanhua Cao , Yizhen Zheng , Wenbin Hu

In the field of computer vision, fine-tuning pre-trained models has become a prevalent strategy for out-of-distribution (OOD) generalization tasks. Different from most prior work that has focused on advancing learning algorithms, we…

Machine Learning · Computer Science 2025-04-29 Hiroki Naganuma , Ryuichiro Hataya , Kotaro Yoshida , Ioannis Mitliagkas

A common explanation for the failure of out-of-distribution (OOD) generalization is that the model trained with empirical risk minimization (ERM) learns spurious features instead of invariant features. However, several recent studies…

Machine Learning · Computer Science 2023-10-31 Yongqiang Chen , Wei Huang , Kaiwen Zhou , Yatao Bian , Bo Han , James Cheng

Density Functional Theory (DFT) has been a cornerstone in computational science, providing powerful insights into structure-property relationships for molecules and materials through first-principles quantum-mechanical (QM) calculations.…

Chemical Physics · Physics 2024-08-13 Yicheng Chen , Wenjie Yan , Zhanfeng Wang , Jianming Wu , Xin Xu

In contemporary deep learning, a prevalent and effective workflow for solving low-data problems is adapting powerful pre-trained foundation models (FMs) to new tasks via parameter-efficient fine-tuning (PEFT). However, while empirically…

Machine Learning · Computer Science 2025-05-29 Fady Rezk , Royson Lee , Henry Gouk , Timothy Hospedales , Minyoung Kim