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We introduce compositional soft prompting (CSP), a parameter-efficient learning technique to improve the zero-shot compositionality of large-scale pretrained vision-language models (VLMs) like CLIP. We develop CSP for compositional…

Machine Learning · Computer Science 2023-04-25 Nihal V. Nayak , Peilin Yu , Stephen H. Bach

Motivation: Exploring drug-protein interactions (DPIs) work as a pivotal step in drug discovery. The fast expansion of available biological data enables computational methods effectively assist in experimental methods. Among them, deep…

Machine Learning · Computer Science 2021-02-01 Yifan Wu , Min Gao , Min Zeng , Feiyang Chen , Min Li , Jie Zhang

Neural combinatorial optimization (NCO) is a promising learning-based approach to solving various vehicle routing problems without much manual algorithm design. However, the current NCO methods mainly focus on the in-distribution…

Machine Learning · Computer Science 2024-05-22 Fei Liu , Xi Lin , Weiduo Liao , Zhenkun Wang , Qingfu Zhang , Xialiang Tong , Mingxuan Yuan

Zero-shot Human-Object Interaction detection aims to localize humans and objects in an image and recognize their interaction, even when specific verb-object pairs are unseen during training. Recent works have shown promising results using…

Computer Vision and Pattern Recognition · Computer Science 2025-10-30 Chanhyeong Yang , Taehoon Song , Jihwan Park , Hyunwoo J. Kim

The advancement of vision-language models, particularly the Contrastive Language-Image Pre-training (CLIP) model, has revolutionized the field of machine learning by enabling robust zero-shot learning capabilities. These capabilities allow…

Computer Vision and Pattern Recognition · Computer Science 2024-12-11 Donggeun Kim , Yujin Jo , Myungjoo Lee , Taesup Kim

Prescriptive Process Monitoring (PresPM) recommends interventions during business processes to optimize key performance indicators (KPIs). In realistic settings, interventions are rarely isolated: organizations need to align sequences of…

Machine Learning · Computer Science 2026-01-12 Jakob De Moor , Hans Weytjens , Johannes De Smedt , Jochen De Weerdt

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu

Most studies on language model pretraining focus on large datasets, leaving open questions about optimization in data-constrained settings. In such settings, the effects of training data order and of including alternative versions of the…

Computation and Language · Computer Science 2025-09-30 Matthew Theodore Roque , Dan John Velasco

The promising zero-shot generalization of vision-language models such as CLIP has led to their adoption using prompt learning for numerous downstream tasks. Previous works have shown test-time prompt tuning using entropy minimization to…

Computer Vision and Pattern Recognition · Computer Science 2024-01-12 Jameel Hassan , Hanan Gani , Noor Hussein , Muhammad Uzair Khattak , Muzammal Naseer , Fahad Shahbaz Khan , Salman Khan

Foundation models have recently gained attention within the field of machine learning thanks to its efficiency in broad data processing. While researchers had attempted to extend this success to time series models, the main challenge is…

Machine Learning · Computer Science 2023-11-22 Trang H. Tran , Lam M. Nguyen , Kyongmin Yeo , Nam Nguyen , Roman Vaculin

Interaction between proteins is a fundamental mechanism that underlies virtually all biological processes. Many important interactions are conserved across a large variety of species. The need to maintain interaction leads to a high degree…

Quantitative Methods · Quantitative Biology 2016-02-25 Christoph Feinauer , Hendrik Szurmant , Martin Weigt , Andrea Pagnani

Unsupervised domain adaptation aims to transfer knowledge from a source domain to a target domain so that the target domain data can be recognized without any explicit labelling information for this domain. One limitation of the problem…

Computer Vision and Pattern Recognition · Computer Science 2019-08-27 Qian Wang , Penghui Bu , Toby P. Breckon

Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

Machine Learning · Computer Science 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to…

Quantitative Methods · Quantitative Biology 2022-11-15 Gil Sadeh , Zichen Wang , Jasleen Grewal , Huzefa Rangwala , Layne Price

We introduce PPOPT - Proximal Policy Optimization using Pretraining, a novel, model-free deep-reinforcement-learning algorithm that leverages pretraining to achieve high training efficiency and stability on very small training samples in…

Machine Learning · Computer Science 2025-11-25 Ruoxing Yang

Deep Learning shows very good performance when trained on large labeled data sets. The problem of training a deep net on a few or one sample per class requires a different learning approach which can generalize to unseen classes using only…

Machine Learning · Computer Science 2018-08-23 Jinchao Liu , Stuart J. Gibson , Margarita Osadchy

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

A goal of computational studies of protein-protein interfaces (PPIs) is to predict the binding site between two monomers that form a heterodimer. The simplest version of this problem is to rigidly re-dock the bound forms of the monomers,…

Biomolecules · Quantitative Biology 2026-01-08 Jacob Sumner , Grace Meng , Naomi Brandt , Alex T. Grigas , Andrés Córdoba , Mark D. Shattuck , Corey S. O'Hern

Protein-protein interactions are of great importance in biochemical processes. Accurate prediction of protein-protein interaction sites (PPIs) is crucial for our understanding of biological mechanism. Although numerous approaches have been…

Quantitative Methods · Quantitative Biology 2023-09-26 Jiaxing Guo , Xuening Zhu , Zixin Hu , Xiaoxi Hu