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Computational protein design, i.e. inferring novel and diverse protein sequences consistent with a given structure, remains a major unsolved challenge. Recently, deep generative models that learn from sequences alone or from sequences and…

Biomolecules · Quantitative Biology 2021-11-15 Igor Melnyk , Payel Das , Vijil Chenthamarakshan , Aurelie Lozano

Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

Conformal inference is a method that provides prediction sets for machine learning models, operating independently of the underlying distributional assumptions and relying solely on the exchangeability of training and test data. Despite its…

Methodology · Statistics 2025-10-01 Daniela Corbetta , Livio Finos , Ludwig Geistlinger , Davide Risso

Generative machine learning models offer a powerful framework for therapeutic design by efficiently exploring large spaces of biological sequences enriched for desirable properties. Unlike supervised learning methods, which require both…

The proliferation of sensor devices monitoring human activity generates voluminous amount of temporal sequences needing to be interpreted and categorized. Moreover, complex behavior detection requires the personalization of multi-sensor…

Machine Learning · Computer Science 2016-02-08 Myriam Abramson

Understanding the molecular processes that drive cellular life is a fundamental question in biological research. Ambitious programs have gathered a number of molecular datasets on large populations. To decipher the complex cellular…

Genomics · Quantitative Biology 2023-03-22 Myriam Bontonou , Anaïs Haget , Maria Boulougouri , Jean-Michel Arbona , Benjamin Audit , Pierre Borgnat

Tokenization is a promising path to multi-modal models capable of jointly understanding protein sequences, structure, and function. Existing protein structure tokenizers create tokens by pooling information from local neighborhoods, an…

Machine Learning · Computer Science 2026-02-09 Rohit Dilip , Ayush Varshney , David Van Valen

Past work on story generation has demonstrated the usefulness of conditioning on a generation plan to generate coherent stories. However, these approaches have used heuristics or off-the-shelf models to first tag training stories with the…

Computation and Language · Computer Science 2020-10-08 Harsh Jhamtani , Taylor Berg-Kirkpatrick

The functions of proteins and RNAs are determined by a myriad of interactions between their constituent residues, but most quantitative models of how molecular phenotype depends on genotype must approximate this by simple additive effects.…

Quantitative Methods · Quantitative Biology 2017-12-19 Adam J. Riesselman , John B. Ingraham , Debora S. Marks

We present a method to control a text-to-image generative model to produce training data useful for supervised learning. Unlike previous works that employ an open-loop approach and pre-define prompts to generate new data using either a…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Teresa Yeo , Andrei Atanov , Harold Benoit , Aleksandr Alekseev , Ruchira Ray , Pooya Esmaeil Akhoondi , Amir Zamir

The increased affordability of whole genome sequencing has motivated its use for phenotypic studies. We address the problem of learning interpretable models for discrete phenotypes from whole genomes. We propose a general approach that…

Understanding how deep learning models predict oncology patient risk can provide critical insights into disease progression, support clinical decision-making, and pave the way for trustworthy and data-driven precision medicine. Building on…

Computer Vision and Pattern Recognition · Computer Science 2024-11-13 Marvin Sextro , Gabriel Dernbach , Kai Standvoss , Simon Schallenberg , Frederick Klauschen , Klaus-Robert Müller , Maximilian Alber , Lukas Ruff

Knowledge tracing---where a machine models the knowledge of a student as they interact with coursework---is a well established problem in computer supported education. Though effectively modeling student knowledge would have high…

Artificial Intelligence · Computer Science 2015-06-22 Chris Piech , Jonathan Spencer , Jonathan Huang , Surya Ganguli , Mehran Sahami , Leonidas Guibas , Jascha Sohl-Dickstein

Deep-predictive-coding networks (DPCNs) are hierarchical, generative models. They rely on feed-forward and feed-back connections to modulate latent feature representations of stimuli in a dynamic and context-sensitive manner. A crucial…

Artificial Intelligence · Computer Science 2021-09-27 Isaac J. Sledge , Jose C. Principe

Why does a phenomenon occur? Addressing this question is central to most scientific inquiries and often relies on simulations of scientific models. As models become more intricate, deciphering the causes behind phenomena in high-dimensional…

Machine Learning · Statistics 2024-06-04 Armin Kekić , Bernhard Schölkopf , Michel Besserve

Genetic Regulatory Networks (GRNs) plays a vital role in the understanding of complex biological processes. Modeling GRNs is significantly important in order to reveal fundamental cellular processes, examine gene functions and understanding…

Computational Engineering, Finance, and Science · Computer Science 2012-05-10 Khalid Raza , Rafat Parveen

Image-based sequencing of mRNA makes it possible to see where in a tissue sample a given gene is active, and thus discern large numbers of different cell types in parallel. This is crucial for gaining a better understanding of tissue…

Quantitative Methods · Quantitative Biology 2018-02-27 Gabriele Partel , Giorgia Milli , Carolina Wählby

Most statistical classifiers are designed to find patterns in data where numbers fit into rows and columns, like in a spreadsheet, but many kinds of data do not conform to this structure. To uncover patterns in non-conforming data, we…

Quantitative Methods · Quantitative Biology 2021-03-22 Jared Ostmeyer , Scott Christley , Lindsay Cowell

Dendritic cells are antigen presenting cells that provide a vital link between the innate and adaptive immune system. Research into this family of cells has revealed that they perform the role of coordinating T-cell based immune responses,…

Artificial Intelligence · Computer Science 2010-07-05 Julie Greensmith , Uwe Aickelin , Steve Cayzer

Microbiological systems evolve to fulfill their tasks with maximal efficiency. The immune system is a remarkable example, where self-non self distinction is accomplished by means of molecular interaction between self proteins and antigens,…

Cell Behavior · Quantitative Biology 2013-08-26 Marcio Argollo de Menezes , Edgardo Brigatti , Veit Schwämmle