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Molecular generation conditioned on textual descriptions is a fundamental task in computational chemistry and drug discovery. Existing methods often struggle to simultaneously ensure high-quality, diverse generation and fast inference. In…

Machine Learning · Computer Science 2025-08-08 Md Atik Ahamed , Qiang Ye , Qiang Cheng

We study genetic networks that produce many species of non-coding RNA molecules that are present at a moderate density, as typically exists in the cell. The associations of the many species of these RNA are modeled physically, taking into…

Genomics · Quantitative Biology 2014-09-08 J. M. Deutsch

High-dimensional count data arise in applications such as single-cell RNA sequencing and neural spike trains, where mapping between distributions across successive batches or time points form critical components of data analysis. The recent…

Machine Learning · Statistics 2026-05-11 Ganchao Wei , John Pearson

Correctly identifying sleep stages is important in diagnosing and treating sleep disorders. This work proposes a joint classification-and-prediction framework based on CNNs for automatic sleep staging, and, subsequently, introduces a simple…

Machine Learning · Computer Science 2019-02-05 Huy Phan , Fernando Andreotti , Navin Cooray , Oliver Y. Chén , Maarten De Vos

Message passing is a core mechanism in Graph Neural Networks (GNNs), enabling the iterative update of node embeddings by aggregating information from neighboring nodes. Graph Convolutional Networks (GCNs) exemplify this approach by adapting…

Machine Learning · Computer Science 2026-03-26 Mayssa Soussia , Gita Ayu Salsabila , Mohamed Ali Mahjoub , Islem Rekik

The design of multi-stable RNA molecules has important applications in biology, medicine, and biotechnology. Synthetic design approaches profit strongly from effective in-silico methods, which can tremendously impact their cost and…

Quantitative Methods · Quantitative Biology 2018-06-24 Stefan Hammer , Yann Ponty , Wei Wang , Sebastian Will

RNA-KG is a recently developed knowledge graph that integrates the interactions involving coding and non-coding RNA molecules extracted from public data sources. It can be used to support the classification of new molecules, identify new…

Databases · Computer Science 2025-08-12 Emanuele Cavalleri , Paolo Perlasca , Marco Mesiti

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

In recent years, Generative Adversarial Networks (GANs) have seen significant advancements, leading to their widespread adoption across various fields. The original GAN architecture enables the generation of images without any specific…

Machine Learning · Computer Science 2024-09-04 Anis Bourou , Valérie Mezger , Auguste Genovesio

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen

This paper describes an efficient rule generation algorithm, called rule generation from artificial neural networks (RGANN) to generate symbolic rules from ANNs. Classification rules are sought in many areas from automatic knowledge…

Neural and Evolutionary Computing · Computer Science 2010-09-28 S. M. Kamruzzaman

Time series generation is critical for a wide range of applications, which greatly supports downstream analytical and decision-making tasks. However, the inherent temporal heterogeneous induced by localized perturbations present significant…

Machine Learning · Computer Science 2025-11-19 Jintao Zhang , Mingyue Cheng , Zirui Liu , Xianquan Wang , Yitong Zhou , Qi Liu

The relationship between RNA structure and function has recently attracted interest within the deep learning community, a trend expected to intensify as nucleic acid structure models advance. Despite this momentum, the lack of standardized,…

Biomolecules · Quantitative Biology 2025-10-23 Luis Wyss , Vincent Mallet , Wissam Karroucha , Karsten Borgwardt , Carlos Oliver

The Neural Contextual Reinforcement Framework introduces an innovative approach to enhancing the logical coherence and structural consistency of text generated by large language models. Leveraging reinforcement learning principles, the…

Computation and Language · Computer Science 2025-08-11 Marcus Irvin , William Cooper , Edward Hughes , Jessica Morgan , Christopher Hamilton

Single-cell RNA sequencing (scRNA-seq) provides unprecedented insights into cellular heterogeneity, enabling detailed analysis of complex biological systems at single-cell resolution. However, the high dimensionality and technical noise…

Genomics · Quantitative Biology 2025-09-04 Hojjat Torabi Goudarzi , Maziyar Baran Pouyan

Current pre-training works in natural language generation pay little attention to the problem of exposure bias on downstream tasks. To address this issue, we propose an enhanced multi-flow sequence to sequence pre-training and fine-tuning…

Computation and Language · Computer Science 2020-06-09 Dongling Xiao , Han Zhang , Yukun Li , Yu Sun , Hao Tian , Hua Wu , Haifeng Wang

Engineering design tasks often require synthesizing new designs that meet desired performance requirements. The conventional design process, which requires iterative optimization and performance evaluation, is slow and dependent on initial…

Machine Learning · Computer Science 2021-06-08 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

Existing PLMs generate protein sequences based on a single-condition constraint from a specific modality, struggling to simultaneously satisfy multiple constraints across different modalities. In this work, we introduce CFP-Gen, a novel…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Junbo Yin , Chao Zha , Wenjia He , Chencheng Xu , Xin Gao

Retrieval-Augmented Generation (RAG) significantly enhances the performance of large language models (LLMs) in downstream tasks by integrating external knowledge. To facilitate researchers in deploying RAG systems, various RAG toolkits have…

Our world is ambiguous and this is reflected in the data we use to train our algorithms. This is particularly true when we try to model natural processes where collected data is affected by noisy measurements and differences in measurement…

Machine Learning · Computer Science 2023-07-19 Jörg K. H. Franke , Frederic Runge , Frank Hutter