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Disentangled representation learning has undoubtedly benefited from objective function surgery. However, a delicate balancing act of tuning is still required in order to trade off reconstruction fidelity versus disentanglement. Building on…

Machine Learning · Statistics 2020-10-09 Benoit Gaujac , Ilya Feige , David Barber

Unsupervised learning enables modeling complex images without the need for annotations. The representation learned by such models can facilitate any subsequent analysis of large image datasets. However, some generative factors that cause…

Image and Video Processing · Electrical Eng. & Systems 2020-08-27 Maxime W. Lafarge , Josien P. W. Pluim , Mitko Veta

T-cell receptors (TCR) are key proteins of the adaptive immune system, generated randomly in each individual, whose diversity underlies our ability to recognize infections and malignancies. Modeling the distribution of TCR sequences is of…

Quantitative Methods · Quantitative Biology 2020-07-01 Giulio Isacchini , Zachary Sethna , Yuval Elhanati , Armita Nourmohammad , Aleksandra M. Walczak , Thierry Mora

Learning disentangled representations leads to interpretable models and facilitates data generation with style transfer, which has been extensively studied on static data such as images in an unsupervised learning framework. However, only a…

Machine Learning · Computer Science 2021-01-20 Jun Han , Martin Renqiang Min , Ligong Han , Li Erran Li , Xuan Zhang

Learning disentangled representations from visual data, where different high-level generative factors are independently encoded, is of importance for many computer vision tasks. Solving this problem, however, typically requires to…

Computer Vision and Pattern Recognition · Computer Science 2019-01-25 Adria Ruiz , Oriol Martinez , Xavier Binefa , Jakob Verbeek

A key challenge in molecular biology is to decipher the mapping of protein sequence to function. To perform this mapping requires the identification of sequence features most informative about function. Here, we quantify the amount of…

Biomolecules · Quantitative Biology 2024-12-19 James Henderson , Yuta Nagano , Martina Milighetti , Andreas Tiffeau-Mayer

We consider the conditional generation of 3D drug-like molecules with \textit{explicit control} over molecular properties such as drug-like properties (e.g., Quantitative Estimate of Druglikeness or Synthetic Accessibility score) and…

Machine Learning · Computer Science 2024-12-20 Haoran Liu , Youzhi Luo , Tianxiao Li , James Caverlee , Martin Renqiang Min

Cancer is a complex disease characterized by uncontrolled cell growth and proliferation. T cell receptors (TCRs) are essential proteins for the adaptive immune system, and their specific recognition of antigens plays a crucial role in the…

Machine Learning · Computer Science 2023-09-07 Zahra Tayebi , Sarwan Ali , Prakash Chourasia , Taslim Murad , Murray Patterson

Cellular electron cryo-tomography enables the 3D visualization of cellular organization in the near-native state and at submolecular resolution. However, the contents of cellular tomograms are often complex, making it difficult to…

Quantitative Methods · Quantitative Biology 2017-12-29 Xiangrui Zeng , Miguel Ricardo Leung , Tzviya Zeev-Ben-Mordehai , Min Xu

This work presents a framework based on feature disentanglement to learn speaker embeddings that are robust to environmental variations. Our framework utilises an auto-encoder as a disentangler, dividing the input speaker embedding into…

Sound · Computer Science 2024-06-21 KiHyun Nam , Hee-Soo Heo , Jee-weon Jung , Joon Son Chung

Protein structure is key to understanding protein function and is essential for progress in bioengineering, drug discovery, and molecular biology. Recently, with the incorporation of generative AI, the power and accuracy of computational…

Cryptography and Security · Computer Science 2024-11-13 Zaixi Zhang , Ruofan Jin , Kaidi Fu , Le Cong , Marinka Zitnik , Mengdi Wang

Protein function is inherently linked to its localization within the cell, and fluorescent microscopy data is an indispensable resource for learning representations of proteins. Despite major developments in molecular representation…

Quantitative Methods · Quantitative Biology 2022-05-25 Anastasia Razdaibiedina , Alexander Brechalov

Unsupervised learning of disentangled representations involves uncovering of different factors of variations that contribute to the data generation process. Total correlation penalization has been a key component in recent methods towards…

Machine Learning · Computer Science 2020-01-01 Yijun Xiao , William Yang Wang

Physicochemically informed biological sequence generation has the potential to accelerate computer-aided cellular therapy, yet current models fail to \emph{jointly} ensure novelty, diversity, and biophysical plausibility when designing…

Computational Engineering, Finance, and Science · Computer Science 2025-10-08 Jiahao Ma , Hongzong Li , Ye-Fan Hu , Jian-Dong Huang

We introduce DisProtEdit, a controllable protein editing framework that leverages dual-channel natural language supervision to learn disentangled representations of structural and functional properties. Unlike prior approaches that rely on…

Quantitative Methods · Quantitative Biology 2025-06-19 Max Ku , Sun Sun , Hongyu Guo , Wenhu Chen

Inference and prediction under partial knowledge of a physical system is challenging, particularly when multiple confounding sources influence the measured response. Explicitly accounting for these influences in physics-based models is…

Machine Learning · Statistics 2026-01-14 Ioannis Christoforos Koune , Alice Cicirello

Computational prediction of the interaction of T cell receptors (TCRs) and their ligands is a grand challenge in immunology. Despite advances in high-throughput assays, specificity-labelled TCR data remains sparse. In other domains, the…

Cross-modality interaction is a critical component in Text-Video Retrieval (TVR), yet there has been little examination of how different influencing factors for computing interaction affect performance. This paper first studies the…

Computer Vision and Pattern Recognition · Computer Science 2022-03-15 Qiang Wang , Yanhao Zhang , Yun Zheng , Pan Pan , Xian-Sheng Hua

Recent advancements in immune sequencing and experimental techniques are generating extensive T cell receptor (TCR) repertoire data, enabling the development of models to predict TCR binding specificity. Despite the computational challenges…

Quantitative Methods · Quantitative Biology 2024-07-24 Anna Weber , Aurélien Pélissier , María Rodríguez Martínez

Molecular property prediction constitutes a cornerstone of drug discovery and materials science, necessitating models capable of disentangling complex structure-property relationships across diverse molecular modalities. Existing approaches…

Machine Learning · Computer Science 2026-03-24 Long Xu , Junping Guo , Jianbo Zhao , Jianbo Lu , Yuzhong Peng
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