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Many methods have been proposed for removing batch effects and aligning single-cell RNA (scRNA) datasets. However, performance is typically evaluated based on multiple parameters and few datasets, creating challenges in assessing which…

Model parameter inference is a universal problem across science. This challenge is particularly pronounced in developmental biology, where faithful mechanistic descriptions require spatial-stochastic models with numerous parameters, yet…

生物物理 · 物理学 2024-07-16 Michael A. Ramirez-Sierra , Thomas R. Sokolowski

Amortized simulation-based inference (SBI) methods train neural networks on simulated data to perform Bayesian inference. While this strategy avoids the need for tractable likelihoods, it often requires a large number of simulations and has…

机器学习 · 计算机科学 2025-03-04 Manuel Gloeckler , Shoji Toyota , Kenji Fukumizu , Jakob H. Macke

In Bayesian inference prior hyperparameters are chosen subjectively or estimated using empirical Bayes methods. Generalised Bayesian Inference (GBI) also has a learning rate hyperparameter. This is compounded in Semi-Modular Inference…

DNA sequence analysis is fundamental to life science research. The rapid development of next generation sequencing (NGS) technologies, and the richness and diversity of applications it makes feasible, have created an enormous gulf between…

计算工程、金融与科学 · 计算机科学 2013-10-29 Shel Swenson , Yogesh Simmhan , Viktor Prasanna , Manish Parashar , Jason Riedy , David Bader , Richard Vuduc

Simulation-based inference (SBI) is constantly in search of more expressive and efficient algorithms to accurately infer the parameters of complex simulation models. In line with this goal, we present consistency models for posterior…

机器学习 · 计算机科学 2024-11-05 Marvin Schmitt , Valentin Pratz , Ullrich Köthe , Paul-Christian Bürkner , Stefan T Radev

Neural simulation-based inference (SBI) describes an emerging family of methods for Bayesian inference with intractable likelihood functions that use neural networks as surrogate models. Here we introduce sbijax, a Python package that…

机器学习 · 计算机科学 2026-03-23 Simon Dirmeier , Antonietta Mira , Carlo Albert

Some of the issues that make sampling parameter spaces of various beyond the Standard Model (BSM) scenarios computationally expensive are the high dimensionality of the input parameter space, complex likelihoods, and stringent experimental…

高能物理 - 唯象学 · 物理学 2026-02-16 Atrideb Chatterjee , Arghya Choudhury , Sourav Mitra , Arpita Mondal , Subhadeep Mondal

Diffusion models have recently emerged as powerful learners for simulation-based inference (SBI), enabling fast and accurate estimation of latent parameters from simulated and real data. Their score-based formulation offers a flexible way…

机器学习 · 统计学 2026-01-30 Jonas Arruda , Niels Bracher , Ullrich Köthe , Jan Hasenauer , Stefan T. Radev

Identifying the parameters of a non-linear model that best explain observed data is a core task across scientific fields. When such models rely on complex simulators, evaluating the likelihood is typically intractable, making traditional…

The small sample imbalance (S&I) problem is a major challenge in machine learning and data analysis. It is characterized by a small number of samples and an imbalanced class distribution, which leads to poor model performance. In addition,…

机器学习 · 计算机科学 2025-04-22 Shuxian Zhao , Jie Gui , Minjing Dong , Baosheng Yu , Zhipeng Gui , Lu Dong , Yuan Yan Tang , James Tin-Yau Kwok

We may attempt to encapsulate what we know about a physical system by a model structure, $S$. This collection of related models is defined by parametric relationships between system features; say observables (outputs), unobservable…

统计方法学 · 统计学 2021-02-16 Jason M. Whyte

Predicting transcriptional responses to genetic perturbations is a central problem in functional genomics. In practice, perturbation responses are rarely gene-independent but instead manifest as coordinated, program-level transcriptional…

基因组学 · 定量生物学 2026-02-06 Jiafa Ruan , Ruijie Quan , Zongxin Yang , Liyang Xu , Yi Yang

Retrosynthesis consists of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found with the goal to provide a synthesis route. Its two primary research…

Motivation: Microsatellite instability (MSI) is a cancer biomarker associated with cancer prognosis and chemotherapy sensitivity. Since the discovery of MSI, polymerase chain reaction (PCR)-based testing has been considered the gold…

基因组学 · 定量生物学 2023-04-17 Ji Detao , Liu Weier

We present a Simulation-Based Inference (SBI) framework for cosmological parameter estimation via void lensing analysis. Despite the absence of an analytical model of void lensing, SBI can effectively learn posterior distributions through…

宇宙学与河外天体物理 · 物理学 2025-07-09 Chen Su , Huanyuan Shan , Cheng Zhao , Wenshuo Xu , Jiajun Zhang

Fitted probabilities from widely used Bayesian multinomial probit models can depend strongly on the choice of a base category, which is used to uniquely identify the parameters of the model. This paper proposes a novel identification…

统计方法学 · 统计学 2020-05-19 Lane F. Burgette , David Puelz , P. Richard Hahn

Comparison of appropriate models to describe observational data is a fundamental task of science. The Bayesian model evidence, or marginal likelihood, is a computationally challenging, yet crucial, quantity to estimate to perform Bayesian…

宇宙学与河外天体物理 · 物理学 2023-11-10 A. Spurio Mancini , M. M. Docherty , M. A. Price , J. D. McEwen

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

生物大分子 · 定量生物学 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

Simulation-based inference (SBI) makes it possible to infer the parameters of a model from high-dimensional low-level features of the observed events. In this work we show how this method can be used to establish the presence of a weak…

高能物理 - 唯象学 · 物理学 2024-07-31 Kierthika Chathirathas , Torben Ferber , Felix Kahlhoefer , Alessandro Morandini