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Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework…

Machine Learning · Computer Science 2025-06-13 Mohit Pandey , Gopeshh Subbaraj , Artem Cherkasov , Martin Ester , Emmanuel Bengio

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

Biomolecules · Quantitative Biology 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

Generative Flow Networks (or GFlowNets for short) are a family of probabilistic agents that learn to sample complex combinatorial structures through the lens of "inference as control". They have shown great potential in generating…

Machine Learning · Computer Science 2023-06-27 Ling Pan , Dinghuai Zhang , Moksh Jain , Longbo Huang , Yoshua Bengio

Despite the success of Large-Vision Language Models (LVLMs), general optimization objectives (e.g., standard MLE) fail to constrain visual trajectories, leading to language bias and hallucination. To mitigate this, current methods introduce…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Yangfu Li , Yuning Gong , Hongjian Zhan , Teng Li , Yuanhuiyi Lyu , Tianyi Chen , Qi Liu , Ziyuan Huang , Zhihang Zhong , Dandan Zheng , Yue Lu

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale…

Machine Learning · Computer Science 2024-06-06 Tiago da Silva , Luiz Max Carvalho , Amauri Souza , Samuel Kaski , Diego Mesquita

Vision-Language Models (VLMs) have recently shown promising advancements in sequential decision-making tasks through task-specific fine-tuning. However, common fine-tuning methods, such as Supervised Fine-Tuning (SFT) and Reinforcement…

Computation and Language · Computer Science 2025-03-26 Haoqiang Kang , Enna Sachdeva , Piyush Gupta , Sangjae Bae , Kwonjoon Lee

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is…

Generative Flow Networks (GFlowNets) have shown promising potential to generate high-scoring candidates with probability proportional to their rewards. As existing GFlowNets freely explore in state space, they encounter significant…

Machine Learning · Computer Science 2026-02-13 Xuan Yu , Xu Wang , Rui Zhu , Yudong Zhang , Yang Wang

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

Active Learning techniques are used to tackle learning problems where obtaining training labels is costly. In this work we use Meta-Active Learning to learn to select a subset of samples from a pool of unsupervised input for further…

Machine Learning · Computer Science 2019-11-04 Ignasi Mas , Josep Ramon Morros , Veronica Vilaplana

Generative Flow Networks (GFlowNets) learn to sample states proportional to an unnormalized reward. Despite their theoretical promise, practical training is often unstable, exhibiting severe loss spikes and mode collapse. To tackle this, we…

Deep learning models, including Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs), have achieved state-of-the-art performance on various computer vision tasks such as object classification, detection, segmentation,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-22 Vipul Arya , S. H. Shabbeer Basha , Srikrishna U N , Sunainha Vijay , Snehasis Mukherjee

We consider a batch active learning scenario where the learner adaptively issues batches of points to a labeling oracle. Sampling labels in batches is highly desirable in practice due to the smaller number of interactive rounds with the…

Machine Learning · Computer Science 2022-06-14 Claudio Gentile , Zhilei Wang , Tong Zhang

Analysis of compressible turbulent flows is essential for applications related to propulsion, energy generation, and the environment. Here, we present BLASTNet 2.0, a 2.2 TB network-of-datasets containing 744 full-domain samples from 34…

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

Active learning is a machine learning approach for reducing the data labeling effort. Given a pool of unlabeled samples, it tries to select the most useful ones to label so that a model built from them can achieve the best possible…

Machine Learning · Computer Science 2020-03-31 Dongrui Wu

Active Learning (AL) is a user-interactive approach aimed at reducing annotation costs by selecting the most crucial examples to label. Although AL has been extensively studied for image classification tasks, the specific scenario of…

Computer Vision and Pattern Recognition · Computer Science 2024-12-04 Leah Bar , Boaz Lerner , Nir Darshan , Rami Ben-Ari

Active Learning (AL) for regression has been systematically under-researched due to the increased difficulty of measuring uncertainty in regression models. Since normalizing flows offer a full predictive distribution instead of a point…

Machine Learning · Computer Science 2025-01-03 Thorben Werner , Lars Schmidt-Thieme

Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects from a given probability distribution, potentially known up to a normalizing constant. Instead of working in the object space, GFlowNets…

Machine Learning · Computer Science 2025-09-12 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

Active learning (AL) is an effective approach to select the most informative samples to label so as to reduce the annotation cost. Existing AL methods typically work under the closed-set assumption, i.e., all classes existing in the…

Computer Vision and Pattern Recognition · Computer Science 2023-07-12 Linhao Qu , Yingfan Ma , Zhiwei Yang , Manning Wang , Zhijian Song