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Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule…

Personalization in Federated Learning (FL) aims to modify a collaboratively trained global model according to each client. Current approaches to personalization in FL are at a coarse granularity, i.e. all the input instances of a client use…

Machine Learning · Computer Science 2024-02-13 Kunjal Panchal , Sunav Choudhary , Nisarg Parikh , Lijun Zhang , Hui Guan

Generative models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular motifs, they often produce synthetically inaccessible molecules. To address this, we introduce…

Recent advances in text-to-image diffusion models have achieved impressive image generation capabilities. However, it remains challenging to control the generation process with desired properties (e.g., aesthetic quality, user intention),…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Taeyoung Yun , Dinghuai Zhang , Jinkyoo Park , Ling Pan

Generative flow networks (GFNs) are a class of models for sequential sampling of composite objects, which approximate a target distribution that is defined in terms of an energy function or a reward. GFNs are typically trained using a flow…

Machine Learning · Statistics 2022-10-17 Heiko Zimmermann , Fredrik Lindsten , Jan-Willem van de Meent , Christian A. Naesseth

Recent studies suggest utilizing generative models instead of traditional auto-regressive algorithms for time series forecasting (TSF) tasks. These non-auto-regressive approaches involving different generative methods, including GAN,…

Machine Learning · Computer Science 2025-03-19 Jiangxuan Long , Zhao Song , Chiwun Yang

Accurately modeling complex dynamic spatio-temporal systems requires capturing flow-mediated interdependencies and context-sensitive interaction dynamics. Existing methods, predominantly graph-based or attention-driven, rely on…

Machine Learning · Computer Science 2025-11-11 Yutong Feng , Xu Liu , Yutong Xia , Yuxuan Liang

Sequential recommendation effectively addresses information overload by modeling users' temporal and sequential interaction patterns. To overcome the limitations of supervision signals, recent approaches have adopted self-supervised…

Information Retrieval · Computer Science 2024-06-03 Yuxi Liu , Lianghao Xia , Chao Huang

The surge in popularity of short-form video content, particularly through platforms like TikTok and Instagram, has led to an exponential increase in data traffic, presenting significant challenges in network resource management. Traditional…

Networking and Internet Architecture · Computer Science 2025-08-05 Betty Searcy , Zurh Farus , Bronny Bush , Kevin Muhammad , Zubair Clinton

We propose a novel transformer-style architecture called Global-Local Filter Network (GLFNet) for medical image segmentation and demonstrate its state-of-the-art performance. We replace the self-attention mechanism with a combination of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-02 Athanasios Tragakis , Qianying Liu , Chaitanya Kaul , Swalpa Kumar Roy , Hang Dai , Fani Deligianni , Roderick Murray-Smith , Daniele Faccio

Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…

Machine Learning · Computer Science 2026-03-19 Peter Holderrieth , Ezra Erives

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

Machine Learning · Computer Science 2024-10-02 Siyi He

Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-01 Yuchen Zhong , Guangming Sheng , Tianzuo Qin , Minjie Wang , Quan Gan , Chuan Wu

Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time…

Machine Learning · Computer Science 2025-11-11 Md Shahriar Rahim Siddiqui , Moshe Eliasof , Eldad Haber

Finding effective prompts for language models (LMs) is critical yet notoriously difficult: the prompt space is combinatorially large, rewards are sparse due to expensive target-LM evaluation. Yet, existing RL-based prompt optimizers often…

Artificial Intelligence · Computer Science 2026-02-04 Junmo Cho , Suhan Kim , Sangjune An , Minsu Kim , Dong Bok Lee , Heejun Lee , Sung Ju Hwang , Hae Beom Lee

While large language models (LLMs) are increasingly adapted for recommendation systems via supervised fine-tuning (SFT), this approach amplifies popularity bias due to its likelihood maximization objective, compromising recommendation…

Information Retrieval · Computer Science 2025-05-13 Chongming Gao , Mengyao Gao , Chenxiao Fan , Shuai Yuan , Wentao Shi , Xiangnan He

Diverse and controllable scenario generation (e.g., wind, solar, load, etc.) is critical for robust power system planning and operation. As AI-based scenario generation methods are becoming the mainstream, existing methods (e.g.,…

Signal Processing · Electrical Eng. & Systems 2026-02-24 Zhenghao Zhou , Yiyan Li , Fei Xie , Lu Wang , Bo Wang , Jiansheng Wang , Zheng Yan , Mo-Yuen Chow

We present two novel generative geometric deep learning frameworks, termed Flow Matching PointNet and Diffusion PointNet, for predicting fluid flow variables on irregular geometries by incorporating PointNet into flow matching and diffusion…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Ali Kashefi

This paper studies deep network architectures to address the problem of video classification. A multi-stream framework is proposed to fully utilize the rich multimodal information in videos. Specifically, we first train three Convolutional…

Computer Vision and Pattern Recognition · Computer Science 2015-11-12 Zuxuan Wu , Yu-Gang Jiang , Xi Wang , Hao Ye , Xiangyang Xue , Jun Wang

Generative Flow Networks (GFlowNets) are a novel class of generative models designed to sample from unnormalized distributions and have found applications in various important tasks, attracting great research interest in their training…

Machine Learning · Computer Science 2024-10-04 Rui Hu , Yifan Zhang , Zhuoran Li , Longbo Huang
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