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Deep learning models can predict protein properties with unprecedented accuracy but rarely offer mechanistic insight or actionable guidance for engineering improved variants. When a model flags an antibody as unstable, the protein engineer…

Machine Learning · Computer Science 2026-03-12 Weronika Kłos , Sidney Bender , Lukas Kades

Machine translation (MT) is an area of study in Natural Language processing which deals with the automatic translation of human language, from one language to another by the computer. Having a rich research history spanning nearly three…

Computation and Language · Computer Science 2018-12-12 Siddhant Srivastava , Anupam Shukla , Ritu Tiwari

We propose DeepMiner, a framework to discover interpretable representations in deep neural networks and to build explanations for medical predictions. By probing convolutional neural networks (CNNs) trained to classify cancer in mammograms,…

Computer Vision and Pattern Recognition · Computer Science 2021-11-02 Jimmy Wu , Bolei Zhou , Diondra Peck , Scott Hsieh , Vandana Dialani , Lester Mackey , Genevieve Patterson

Large, pre-trained neural networks consisting of self-attention layers (transformers) have recently achieved state-of-the-art results on several speech emotion recognition (SER) datasets. These models are typically pre-trained in…

Transformer is a deep neural network that employs a self-attention mechanism to comprehend the contextual relationships within sequential data. Unlike conventional neural networks or updated versions of Recurrent Neural Networks (RNNs) such…

Machine Learning · Computer Science 2023-06-14 Saidul Islam , Hanae Elmekki , Ahmed Elsebai , Jamal Bentahar , Najat Drawel , Gaith Rjoub , Witold Pedrycz

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

We investigate what kind of structural knowledge learned in neural network encoders is transferable to processing natural language. We design artificial languages with structural properties that mimic natural language, pretrain encoders on…

Computation and Language · Computer Science 2022-03-23 Ryokan Ri , Yoshimasa Tsuruoka

The Bayesian approach to machine learning amounts to computing posterior distributions of random variables from a probabilistic model of how the variables are related (that is, a prior distribution) and a set of observations of variables.…

Logic in Computer Science · Computer Science 2015-07-01 Johannes Borgström , Andrew D Gordon , Michael Greenberg , James Margetson , Jurgen Van Gael

Multivariate time series have many applications, from healthcare and meteorology to life science. Although deep learning models have shown excellent predictive performance for time series, they have been criticised for being "black-boxes"…

Machine Learning · Computer Science 2024-05-06 Qiqi Su , Christos Kloukinas , Artur d'Avila Garcez

This study demonstrates that generative large language models can be utilized in a more flexible manner for DNA sequence analysis and classification tasks compared to traditional transformer encoder-based models. While recent encoder-based…

Computation and Language · Computer Science 2025-03-07 Hyunwoo Yoo

Discovering new materials better suited to specific purposes is an important issue in improving the quality of human life. Here, a neural network that creates molecules that meet some desired conditions based on a deep understanding of…

Machine Learning · Computer Science 2022-02-15 Hyunseung Kim , Jonggeol Na , Won Bo Lee

Identifying critical research within the growing body of academic work is an intrinsic aspect of conducting quality research. Systematic review processes used in evidence-based medicine formalise this as a procedure that must be followed in…

Digital Libraries · Computer Science 2024-10-14 John Hawkins , David Tivey

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

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

Proteins are essential for life, and their structure determines their function. The protein secondary structure is formed by the folding of the protein primary structure, and the protein tertiary structure is formed by the bending and…

Biomolecules · Quantitative Biology 2024-03-11 Yanlin Zhou , Kai Tan , Xinyu Shen , Zheng He , Haotian Zheng

Sequence modelling requires determining which past tokens are causally relevant from the context and their importance: a process inherent to the attention layers in transformers, yet whose underlying learned mechanisms remain poorly…

Machine Learning · Computer Science 2026-04-14 Francesco D'Angelo , Nicolas Flammarion

We introduce EvoFlows, a variable-length protein sequence-to-sequence modeling approach designed for protein engineering. Existing protein language models are poorly suited for optimization tasks: autoregressive models require full sequence…

Machine Learning · Computer Science 2026-04-09 Nicolas Deutschmann , Constance Ferragu , Jonathan D. Ziegler , Shayan Aziznejad , Eli Bixby

Pretrained Foundation Models (PFMs) are regarded as the foundation for various downstream tasks with different data modalities. A PFM (e.g., BERT, ChatGPT, and GPT-4) is trained on large-scale data which provides a reasonable parameter…

Large scale self-supervised pre-training of Transformer language models has advanced the field of Natural Language Processing and shown promise in cross-application to the biological `languages' of proteins and DNA. Learning effective…

Machine Learning · Computer Science 2021-12-15 Meredith V. Trotter , Cuong Q. Nguyen , Stephen Young , Rob T. Woodruff , Kim M. Branson

Transformer-based pretrained language models (T-PTLMs) have achieved great success in almost every NLP task. The evolution of these models started with GPT and BERT. These models are built on the top of transformers, self-supervised…

Computation and Language · Computer Science 2021-08-31 Katikapalli Subramanyam Kalyan , Ajit Rajasekharan , Sivanesan Sangeetha