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Diffusion models have achieved impressive performance on multi-focus image fusion (MFIF). However, a key challenge in applying diffusion models to the ill-posed MFIF problem is that defocus blur can make common symmetric geometric…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Bo Li , Tingting Bao , Lingling Zhang , Weiping Fu , Yaxian Wang , Jun Liu

Inverse reinforcement learning (IRL) aims to infer an agent's preferences (represented as a reward function $R$) from their behaviour (represented as a policy $\pi$). To do this, we need a behavioural model of how $\pi$ relates to $R$. In…

Machine Learning · Computer Science 2024-03-12 Joar Skalse , Alessandro Abate

Reinforcement learning from human feedback (RLHF) has proven effective in aligning large language models with human preferences, inspiring the development of reward-centric diffusion reinforcement learning (RDRL) to achieve similar…

Machine Learning · Computer Science 2026-03-24 Kwanyoung Kim , Byeongsu Sim

We propose to use reinforcement learning to inform transformer-based contextualized link prediction models by providing paths that are most useful for predicting the correct answer. This is in contrast to previous approaches, that either…

Computation and Language · Computer Science 2023-01-24 Marina Speranskaya , Sameh Methias , Benjamin Roth

We apply reinforcement learning (RL) to robotics tasks. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve the sample efficiency is model-based RL. In our model-based RL…

Machine Learning · Computer Science 2023-05-16 Adithya Ramesh , Balaraman Ravindran

Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative models that learn from sequences alone or from sequences and…

Biomolecules · Quantitative Biology 2021-11-15 Igor Melnyk , Payel Das , Vijil Chenthamarakshan , Aurelie Lozano

In the era of Industry 4.0 and smart manufacturing, process systems engineering must adapt to digital transformation. While reinforcement learning offers a model-free approach to process control, its applications are limited by the…

Systems and Control · Electrical Eng. & Systems 2025-05-28 Runze Lin , Junghui Chen , Biao Huang , Lei Xie , Hongye Su

Recent advances in vision-language pre-training have enabled machines to perform better in multimodal object discrimination (e.g., image-text semantic alignment) and image synthesis (e.g., text-to-image generation). On the other hand,…

Computer Vision and Pattern Recognition · Computer Science 2023-06-02 Xiao Dong , Runhui Huang , Xiaoyong Wei , Zequn Jie , Jianxing Yu , Jian Yin , Xiaodan Liang

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining…

Disordered metamaterials are promising for programming physical properties across diverse applications, yet their inverse design remains challenging due to the non-intuitive structure-property relationships and large design spaces. Recent…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Ziyuan Xie , Weipeng Xu , Dazhi Zhao , Wenchang Zhang , Daoyang Dong , Bingbing Xu , Ning Liu , Sheng Mao , Tianju Xue

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen

We apply a new approach to the reverse protein folding problem. Our method uses a minimization function in the design process which is different from the energy function used for folding. For a lattice model, we show that this new approach…

Condensed Matter · Physics 2009-10-28 J. M. Deutsch , Tanya Kurosky

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

Biomolecules · Quantitative Biology 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

Ensuring reliability in modern software systems requires rigorous pre-production testing across highly heterogeneous and evolving environments. Because exhaustive evaluation is infeasible, practitioners must decide how to allocate limited…

Software Engineering · Computer Science 2025-10-08 Yu Zhu

Diffusion models have been applied to improve adversarial robustness of image classifiers by purifying the adversarial noises or generating realistic data for adversarial training. However, diffusion-based purification can be evaded by…

Computer Vision and Pattern Recognition · Computer Science 2024-05-22 Huanran Chen , Yinpeng Dong , Zhengyi Wang , Xiao Yang , Chengqi Duan , Hang Su , Jun Zhu

The latest developments in Face Restoration have yielded significant advancements in visual quality through the utilization of diverse diffusion priors. Nevertheless, the uncertainty of face identity introduced by identity-obscure inputs…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Yushun Fang , Lu Liu , Xiang Gao , Qiang Hu , Ning Cao , Jianghe Cui , Gang Chen , Xiaoyun Zhang

Recent advances in geometric deep learning and generative modeling have enabled the design of novel proteins with a wide range of desired properties. However, current state-of-the-art approaches are typically restricted to generating…

Biomolecules · Quantitative Biology 2025-08-26 Vsevolod Viliuga , Leif Seute , Nicolas Wolf , Simon Wagner , Arne Elofsson , Jan Stühmer , Frauke Gräter

We propose a Deep Reinforcement Learning (Deep RL) algorithm for solving the online 3D bin packing problem for an arbitrary number of bins and any bin size. The focus is on producing decisions that can be physically implemented by a robotic…

Protein structure prediction is one of the most important problems in computational biology. The most successful computational approach, also called template-based modeling, identifies templates with solved crystal structures for the query…

Biomolecules · Quantitative Biology 2013-06-20 Jian Peng