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Inverse protein folding generates valid amino acid sequences that can fold into a desired protein structure, with recent deep-learning advances showing strong potential and competitive performance. However, challenges remain, such as…

Biomolecules · Quantitative Biology 2025-07-29 Peizhen Bai , Filip Miljković , Xianyuan Liu , Leonardo De Maria , Rebecca Croasdale-Wood , Owen Rackham , Haiping Lu

Score-based diffusion models have demonstrated outstanding empirical performance in machine learning and artificial intelligence, particularly in generating high-quality new samples from complex probability distributions. Improving the…

Machine Learning · Statistics 2025-05-30 Yuchen Jiao , Gen Li

Most existing methods for concept unlearning in text-to-image diffusion models minimize a mean squared error (MSE) loss between the denoiser outputs conditioned on a target and an anchor concept, which is implicitly the KL divergence…

Machine Learning · Computer Science 2026-05-27 Nicola Novello , Federico Fontana , Luigi Cinque , Deniz Gunduz , Andrea M. Tonello

Poisson denoising plays a central role in photon-limited imaging applications such as microscopy, astronomy, and medical imaging. It is common to train deep learning models for denoising using the mean-squared error (MSE) loss, which…

Signal Processing · Electrical Eng. & Systems 2025-10-09 Shirin Shoushtari , Edward P. Chandler , Ulugbek S. Kamilov

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

This paper considers the problem of sampling from non-logconcave distribution, based on queries of its unnormalized density. It first describes a framework, Denoising Diffusion Monte Carlo (DDMC), based on the simulation of a denoising…

Machine Learning · Statistics 2024-10-31 Ye He , Kevin Rojas , Molei Tao

Discrete diffusion models have seen a surge of attention with applications on naturally discrete data such as language and graphs. Although discrete-time discrete diffusion has been established for a while, only recently Campbell et al.…

Machine Learning · Computer Science 2024-08-13 Lingxiao Zhao , Xueying Ding , Lijun Yu , Leman Akoglu

Robust inferential methods based on divergences measures have shown an appealing trade-off between efficiency and robustness in many different statistical models. In this paper, minimum density power divergence estimators (MDPDEs) for the…

Statistics Theory · Mathematics 2023-12-06 A. Felipe , M. Jaenada , P. Miranda , L. Pardo

Inferring the causal direction and causal effect between two discrete random variables X and Y from a finite sample is often a crucial problem and a challenging task. However, if we have access to observational and interventional data, it…

Machine Learning · Statistics 2020-10-16 Peter Gmeiner

This is an expository article on the score-based diffusion models, with a particular focus on the formulation via stochastic differential equations (SDE). After a gentle introduction, we discuss the two pillars in the diffusion modeling --…

Machine Learning · Computer Science 2025-07-08 Wenpin Tang , Hanyang Zhao

Masked Diffusion Models (MDMs) enable flexible decoding orders, yet existing samplers remain largely greedy, selecting locally certain tokens without accounting for their downstream effects. We show that this myopia can increase cumulative…

Computation and Language · Computer Science 2026-05-25 Kaisen Yang , Jayden Teoh , Kaicheng Yang , Yitong Zhang , Alex Lamb

Score-based diffusion models learn to reverse a stochastic differential equation that maps data to noise. However, for complex tasks, numerical error can compound and result in highly unnatural samples. Previous work mitigates this drift…

Machine Learning · Statistics 2023-06-12 Aaron Lou , Stefano Ermon

Enabling Visual Semantic Models to effectively handle multi-view description matching has been a longstanding challenge. Existing methods typically learn a set of embeddings to find the optimal match for each view's text and compute…

Computer Vision and Pattern Recognition · Computer Science 2025-07-18 Yang Liu , Wentao Feng , Zhuoyao Liu , Shudong Huang , Jiancheng Lv

In this paper, we propose an information-theoretic approach to design the functional representations to extract the hidden common structure shared by a set of random variables. The main idea is to measure the common information between the…

Information Theory · Computer Science 2021-09-15 Shao-Lun Huang , Xiangxiang Xu , Lizhong Zheng

Reversing a diffusion process by learning its score forms the heart of diffusion-based generative modeling and for estimating properties of scientific systems. The diffusion processes that are tractable center on linear processes with a…

Machine Learning · Computer Science 2024-07-12 Raghav Singhal , Mark Goldstein , Rajesh Ranganath

By developing a new technique called the bi-coupling argument, we estimate the relative entropy between different diffusion processes in terms of the distances of initial distributions and drift-diffusion coefficients. As an application,…

Probability · Mathematics 2025-06-10 Panpan Ren , Feng-Yu Wang

Diffusion or score-based models recently showed high performance in image generation. They rely on a forward and a backward stochastic differential equations (SDE). The sampling of a data distribution is achieved by numerically solving the…

Machine Learning · Computer Science 2025-06-04 Emile Pierret , Bruno Galerne

Many NLP tasks such as tagging and machine reading comprehension are faced with the severe data imbalance issue: negative examples significantly outnumber positive examples, and the huge number of background examples (or easy-negative…

Computation and Language · Computer Science 2020-09-01 Xiaoya Li , Xiaofei Sun , Yuxian Meng , Junjun Liang , Fei Wu , Jiwei Li

The success of denoising diffusion models raises important questions regarding their generalisation behaviour, particularly in high-dimensional settings. Notably, it has been shown that when training and sampling are performed perfectly,…

Machine Learning · Statistics 2025-07-08 Tyler Farghly , Patrick Rebeschini , George Deligiannidis , Arnaud Doucet

We propose learning discrete structured representations from unlabeled data by maximizing the mutual information between a structured latent variable and a target variable. Calculating mutual information is intractable in this setting. Our…

Machine Learning · Computer Science 2020-07-17 Karl Stratos , Sam Wiseman