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Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Conformal prediction (CP) provides model-agnostic uncertainty quantification with guaranteed coverage, but conventional methods often produce overly conservative uncertainty sets, especially in multi-dimensional settings. This limitation…

Machine Learning · Computer Science 2025-02-12 Minxing Zheng , Shixiang Zhu

Understanding the temporal dynamics of Earth's surface is a mission of multi-temporal remote sensing image analysis, significantly promoted by deep vision models with its fuel -- labeled multi-temporal images. However, collecting,…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Zhuo Zheng , Shiqi Tian , Ailong Ma , Liangpei Zhang , Yanfei Zhong

Multiparticle entanglement leads to richer correlations than two-particle entanglement and gives rise to striking contradictions with local realism, inequivalent classes of entanglement, and applications such as one-way or topological…

Quantum Physics · Physics 2010-12-03 J. T. Barreiro , P. Schindler , O. Gühne , T. Monz , M. Chwalla , C. F. Roos , M. Hennrich , R. Blatt

Many scientific applications involve mixed spatially indexed outcomes of heterogeneous types that are driven by shared latent mechanisms. Modeling such data is challenging due to complex, nonlinear, and potentially nonstationary spatial…

Methodology · Statistics 2026-03-10 Yeseul Jeon , Kyeong Eun Lee , Joon Jin Song

Using simulations or experiments performed at some set of temperatures to learn about the physics or chemistry at some other arbitrary temperature is a problem of immense practical and theoretical relevance. Here we develop a framework…

Statistical Mechanics · Physics 2022-10-17 Yihang Wang , Lukas Herron , Pratyush Tiwary

Given a probability distribution $\mu$ in $\mathbb{R}^d$ represented by data, we study in this paper the generative modeling of the corresponding conditional probability distributions on the level-sets of a collective variable…

Machine Learning · Statistics 2026-03-30 Fatima-Zahrae Akhyar , Wei Zhang , Gabriel Stoltz , Christof Schütte

Copulas are mathematical tools for modeling joint probability distributions. Since copulas enable one to conveniently treat the marginal distribution of each variable and the interdependencies among variables separately, in the past 60…

Quantum Physics · Physics 2022-06-28 Daiwei Zhu , Weiwei Shen , Annarita Giani , Saikat Ray Majumder , Bogdan Neculaes , Sonika Johri

In the field of brain science, data sharing across servers is becoming increasingly challenging due to issues such as industry competition, privacy security, and administrative procedure policies and regulations. Therefore, there is an…

Numerical Analysis · Mathematics 2024-04-19 Yukai Cai , Hang Liu , Xiulin Wang , Hongjin Li , Ziyi Wang , Chuanshuai Yang , Fengyu Cong

Gaussian processes (GPs) provide a powerful non-parametric framework for reasoning over functions. Despite appealing theory, its superlinear computational and memory complexities have presented a long-standing challenge. State-of-the-art…

Machine Learning · Statistics 2019-01-16 Hugh Salimbeni , Ching-An Cheng , Byron Boots , Marc Deisenroth

Classification can be performed using either a discriminative or a generative learning approach. Discriminative learning consists of constructing the conditional probability of the outputs given the inputs, while generative learning…

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative…

Machine Learning · Computer Science 2024-11-05 Jacob K Christopher , Stephen Baek , Ferdinando Fioretto

The need for strategies able to accurately manipulate quantum dynamics is ubiquitous in quantum control and quantum information processing. We investigate two scenarios where randomized dynamical decoupling techniques become more…

Quantum Physics · Physics 2009-11-13 Lorenza Viola , Lea F. Santos

Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat…

Chemical Physics · Physics 2022-08-09 Xiangyun Lei , Andrew J. Medford

From behavioral sciences to biology to quantum mechanics, one encounters situations where (i) a system outputs several random variables in response to several inputs, (ii) for each of these responses only some of the inputs may "directly"…

Probability · Mathematics 2015-09-01 E. N. Dzhafarov , J. V. Kujala

The commonly used latent space embedding techniques, such as Principal Component Analysis, Factor Analysis, and manifold learning techniques, are typically used for learning effective representations of homogeneous data. However, they do…

Machine Learning · Computer Science 2021-10-04 Yasin Yilmaz , Mehmet Aktukmak , Alfred O. Hero

Realistic human geometry generation is an important yet challenging task, requiring both the preservation of fine clothing details and the accurate modeling of clothing-body interactions. To tackle this challenge, we build upon Geometry…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Xiangjun Tang , Biao Zhang , Peter Wonka

Deep generative models hold great promise for representing complex physical systems, but their deployment is currently limited by the lack of guarantees on the physical plausibility of the generated outputs. Ensuring that known physical…

Machine Learning · Computer Science 2026-03-13 Matthieu Blanke , Yongquan Qu , Sara Shamekh , Pierre Gentine

Although the realization of useful quantum computers poses significant challenges, swift progress in emerging quantum technologies is making this goal realistically approachable. In this context, one of the essential resources is quantum…

Quantum Physics · Physics 2022-01-11 Valeria Saggio , Philip Walther

We present a study for the generation of events from a physical process with deep generative models. The simulation of physical processes requires not only the production of physical events, but also to ensure these events occur with the…

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