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Given a classifier, the inherent property of semantic Out-of-Distribution (OOD) samples is that their contents differ from all legal classes in terms of semantics, namely semantic mismatch. There is a recent work that directly applies it to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-17 Ruiyuan Gao , Chenchen Zhao , Lanqing Hong , Qiang Xu

Knowledge distillation from LLMs is essential for the efficient deployment of language models. Prior works have proposed data generation using LLMs for preparing distilled models. We argue that generating data with LLMs is prone to sampling…

Computation and Language · Computer Science 2024-04-01 Mohsen Gholami , Mohammad Akbari , Cindy Hu , Vaden Masrani , Z. Jane Wang , Yong Zhang

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary…

Computer Vision and Pattern Recognition · Computer Science 2024-07-17 Soobin Um , Jong Chul Ye

The goal of structure-based drug discovery is to find small molecules that bind to a given target protein. Deep learning has been used to generate drug-like molecules with certain cheminformatic properties, but has not yet been applied to…

Quantitative Methods · Quantitative Biology 2022-01-27 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

Time series frequently manifest distribution shifts, diverse latent features, and non-stationary learning dynamics, particularly in open and evolving environments. These characteristics pose significant challenges for out-of-distribution…

Machine Learning · Computer Science 2026-05-20 Xin Wu , Fei Teng , Xingwang Li , Ji Zhang , Tianrui Li , Qiang Duan

We introduce Interleaved Gibbs Diffusion (IGD), a novel generative modeling framework for discrete-continuous data, focusing on problems with important, implicit and unspecified constraints in the data. Most prior works on discrete and…

Machine Learning · Computer Science 2025-07-04 Gautham Govind Anil , Sachin Yadav , Dheeraj Nagaraj , Karthikeyan Shanmugam , Prateek Jain

Text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models has shown great promise but still suffers from inconsistent 3D geometric structures (Janus problems) and severe artifacts. The aforementioned problems…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Baorui Ma , Haoge Deng , Junsheng Zhou , Yu-Shen Liu , Tiejun Huang , Xinlong Wang

Generative models on discrete state-spaces have a wide range of potential applications, particularly in the domain of natural sciences. In continuous state-spaces, controllable and flexible generation of samples with desired properties has…

Machine Learning · Computer Science 2025-03-27 Hunter Nisonoff , Junhao Xiong , Stephan Allenspach , Jennifer Listgarten

High-quality reconstruction of Aerosol Optical Depth (AOD) fields is critical for Atmosphere monitoring, yet current models remain constrained by the scarcity of complete training data and a lack of uncertainty quantification.To address…

Machine Learning · Computer Science 2026-01-01 Linhao Fan , Hongqiang Fang , Jingyang Dai , Yong Jiang , Qixing Zhang

Deep generative models are rapidly advancing structure-based drug design, offering substantial promise for generating small molecule ligands that bind to specific protein targets. However, most current approaches assume a rigid protein…

Biomolecules · Quantitative Biology 2025-11-19 Xinzhe Zheng , Shiyu Jiang , Gustavo Seabra , Chenglong Li , Yanjun Li

Out-of-distribution (OOD) detection is an important task in machine learning systems for ensuring their reliability and safety. Deep probabilistic generative models facilitate OOD detection by estimating the likelihood of a data sample.…

Machine Learning · Computer Science 2021-06-16 Jaemoo Choi , Changyeon Yoon , Jeongwoo Bae , Myungjoo Kang

We introduce GeoWizard, a new generative foundation model designed for estimating geometric attributes, e.g., depth and normals, from single images. While significant research has already been conducted in this area, the progress has been…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Xiao Fu , Wei Yin , Mu Hu , Kaixuan Wang , Yuexin Ma , Ping Tan , Shaojie Shen , Dahua Lin , Xiaoxiao Long

A critical vulnerability of supervised deep learning in high-dimensional tabular domains is "generalization collapse": models form precise decision boundaries around known training distributions but fail catastrophically when encountering…

Machine Learning · Computer Science 2026-03-10 Rajeeb Thapa Chhetri , Saurab Thapa , Avinash Kumar , Zhixiong Chen

Recent advancements in 3D content generation from text or a single image struggle with limited high-quality 3D datasets and inconsistency from 2D multi-view generation. We introduce DiffSplat, a novel 3D generative framework that natively…

Computer Vision and Pattern Recognition · Computer Science 2025-01-29 Chenguo Lin , Panwang Pan , Bangbang Yang , Zeming Li , Yadong Mu

We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are…

Biomolecules · Quantitative Biology 2022-11-15 Shitong Luo , Jiaqi Guan , Jianzhu Ma , Jian Peng

Out-of-distribution (OOD) detection aims to detect "unknown" data whose labels have not been seen during the in-distribution (ID) training process. Recent progress in representation learning gives rise to distance-based OOD detection that…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Ji Zhang , Lianli Gao , Bingguang Hao , Hao Huang , Jingkuan Song , Hengtao Shen

Despite the remarkable generative capabilities of diffusion models, their integration into safety-critical or scientifically rigorous applications remains hindered by the need to ensure compliance with stringent physical, structural, and…

Machine Learning · Computer Science 2025-06-03 Jacob K. Christopher , Michael Cardei , Jinhao Liang , Ferdinando Fioretto

Gradient-based meta-learning (GBML) algorithms are able to fast adapt to new tasks by transferring the learned meta-knowledge, while assuming that all tasks come from the same distribution (in-distribution, ID). However, in the real world,…

Computer Vision and Pattern Recognition · Computer Science 2023-03-14 Min Zhang , Zifeng Zhuang , Zhitao Wang , Donglin Wang , Wenbin Li

Real-world machine learning applications often face simultaneous covariate and semantic shifts, challenging traditional domain generalization and out-of-distribution (OOD) detection methods. We introduce Meta-learned Across Domain…

Machine Learning · Computer Science 2024-11-06 Haoliang Wang , Chen Zhao , Feng Chen

Diffusion models have recently gained prominence in offline reinforcement learning due to their ability to effectively learn high-performing, generalizable policies from static datasets. Diffusion-based planners facilitate long-horizon…

Machine Learning · Computer Science 2025-10-27 Donghyeon Ki , JunHyeok Oh , Seong-Woong Shim , Byung-Jun Lee