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Many scientific models are composed of multiple discrete components, and scientists often make heuristic decisions about which components to include. Bayesian inference provides a mathematical framework for systematically selecting model…

Machine Learning · Computer Science 2024-05-31 Cornelius Schröder , Jakob H. Macke

High-content perturbation experiments allow scientists to probe biomolecular systems at unprecedented resolution, but experimental and analysis costs pose significant barriers to widespread adoption. Machine learning has the potential to…

Artificial Intelligence · Computer Science 2025-03-03 Menghua Wu , Russell Littman , Jacob Levine , Lin Qiu , Tommaso Biancalani , David Richmond , Jan-Christian Huetter

Self-supervised pretraining (SSP) has been recognized as a method to enhance prediction accuracy in various downstream tasks. However, its efficacy for DNA sequences remains somewhat constrained. This limitation stems primarily from the…

Machine Learning · Computer Science 2024-05-15 Tong Yu , Lei Cheng , Ruslan Khalitov , Erland Brandser Olsson , Zhirong Yang

Generative modelling is a demanding test of foundation models, because it requires robust, holistic representation learning for a given data modality, rather than optimisation for a supervised prediction target alone. While recent work on…

Machine Learning · Computer Science 2026-05-12 Xiangjian Jiang , Mingxuan Liu , Nikola Simidjievski , Tassilo Klein , Mateja Jamnik

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process,…

Machine Learning · Computer Science 2026-04-28 Changxi Chi , Jun Xia , Yufei Huang , Zhuoli Ouyang , Cheng Tan , Yunfan Liu , Jingbo Zhou , Chang Yu , Liangyu Yuan , Siyuan Li , Zelin Zang , Stan Z. Li

Learning ensembles by bagging can substantially improve the generalization performance of low-bias, high-variance estimators, including those evolved by Genetic Programming (GP). To be efficient, modern GP algorithms for evolving (bagging)…

Neural and Evolutionary Computing · Computer Science 2021-02-08 Marco Virgolin

Recent developments in synthetic biology, next-generation sequencing, and machine learning provide an unprecedented opportunity to rationally design new disease treatments based on measured responses to gene perturbations and drugs to…

Molecular Networks · Quantitative Biology 2024-03-12 Thomas P. Wytock , Adilson E. Motter

Deep learning is regarded as a promising solution for reversible steganography. There is an accelerating trend of representing a reversible steo-system by monolithic neural networks, which bypass intermediate operations in traditional…

Multimedia · Computer Science 2023-03-08 Ching-Chun Chang , Xu Wang , Sisheng Chen , Isao Echizen , Victor Sanchez , Chang-Tsun Li

Deep neural networks employing error back-propagation for learning can suffer from exploding and vanishing gradient problems. Numerous solutions have been proposed such as normalisation techniques or limiting activation functions to linear…

Machine Learning · Computer Science 2023-09-08 Sama Daryanavard , Bernd Porr

Gene regulation is a dynamic process that connects genotype and phenotype. Given the difficulty of physically mapping mammalian gene circuitry, we require new computational methods to learn regulatory rules. Natural language is a valuable…

Quantitative Methods · Quantitative Biology 2022-10-27 William Connell , Umair Khan , Michael J. Keiser

For complex simulation problems, inferring parameters often precludes the use of classical likelihood-based techniques due to intractable likelihoods. Simulation-based inference (SBI) methods offer a likelihood-free approach to directly…

Machine Learning · Computer Science 2026-04-16 Haley Rosso , Talea Mayo

Current generative models are able to generate high-quality artefacts but have been shown to struggle with compositional reasoning, which can be defined as the ability to generate complex structures from simpler elements. In this paper, we…

Machine Learning · Computer Science 2024-08-20 Giovanni Bindi , Philippe Esling

We often use perturbations to regularize neural models. For neural encoder-decoders, previous studies applied the scheduled sampling (Bengio et al., 2015) and adversarial perturbations (Sato et al., 2019) as perturbations but these methods…

Computation and Language · Computer Science 2021-04-06 Sho Takase , Shun Kiyono

Unsupervised cell type identification is crucial for uncovering and characterizing heterogeneous populations in single cell omics studies. Although a range of clustering methods have been developed, most focus exclusively on intrinsic…

Artificial Intelligence · Computer Science 2025-12-12 Liang Peng , Haopeng Liu , Yixuan Ye , Cheng Liu , Wenjun Shen , Si Wu , Hau-San Wong

Motivation: Predicting cellular responses to genetic perturbations is essential for understanding biological systems and developing targeted therapeutic strategies. While variational autoencoders (VAEs) have shown promise in modeling…

Machine Learning · Computer Science 2025-02-03 Seungheun Baek , Soyon Park , Yan Ting Chok , Mogan Gim , Jaewoo Kang

Identity, response to external stimuli, and spatial architecture of a living system are central topics of molecular biology. Presently, they are largely seen as a result of the interplay between a gene repertoire and the regulatory…

Molecular Networks · Quantitative Biology 2007-05-23 M. Cosentino Lagomarsino , P. Jona , B. Bassetti

Estimating the effect of intervention from observational data while accounting for confounding variables is a key task in causal inference. Oftentimes, the confounders are unobserved, but we have access to large amounts of additional…

Machine Learning · Computer Science 2022-12-13 Shachi Deshpande , Kaiwen Wang , Dhruv Sreenivas , Zheng Li , Volodymyr Kuleshov

Understanding mechanistic relationships among genes and their impacts on biological pathways is essential for elucidating disease mechanisms and advancing precision medicine. Despite the availability of extensive molecular interaction and…

Molecular Networks · Quantitative Biology 2026-03-24 Fujian Jia , Jiwen Gu , Cheng Lu , Dezhi Zhao , Mengjiang Huang , Yuanzhi Lu , Xin Liu , Kang Liu

We consider sequential treatment regimes where each unit is exposed to combinations of interventions over time. When interventions are described by qualitative labels, such as "close schools for a month due to a pandemic" or "promote this…

Machine Learning · Statistics 2024-10-31 Jialin Yu , Andreas Koukorinis , Nicolò Colombo , Yuchen Zhu , Ricardo Silva

Simulation-based inference (SBI) offers a flexible and general approach to performing Bayesian inference: In SBI, a neural network is trained on synthetic data simulated from a model and used to rapidly infer posterior distributions for…

Machine Learning · Computer Science 2025-10-28 Julius Vetter , Manuel Gloeckler , Daniel Gedon , Jakob H. Macke