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Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent advances in steering protein generative models (e.g.,…

Biomolecules · Quantitative Biology 2025-10-22 Jason Yang , Wenda Chu , Daniel Khalil , Raul Astudillo , Bruce J. Wittmann , Frances H. Arnold , Yisong Yue

As an essential step towards computer creativity, automatic poetry generation has gained increasing attention these years. Though recent neural models make prominent progress in some criteria of poetry quality, generated poems still suffer…

Computation and Language · Computer Science 2020-03-16 Xiaoyuan Yi , Ruoyu Li , Cheng Yang , Wenhao Li , Maosong Sun

Accurate screening of cancer types is crucial for effective cancer detection and precise treatment selection. However, the association between gene expression profiles and tumors is often limited to a small number of biomarker genes. While…

Neural and Evolutionary Computing · Computer Science 2024-04-09 Xubin Wang , Yunhe Wang , Zhiqing Ma , Ka-Chun Wong , Xiangtao Li

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

Genetic programming (GP) is an evolutionary computation technique to solve problems in an automated, domain-independent way. Rather than identifying the optimum of a function as in more traditional evolutionary optimization, the aim of GP…

Neural and Evolutionary Computing · Computer Science 2019-05-15 Andrei Lissovoi , Pietro S. Oliveto

Prompt engineering has emerged as a useful way studying the algorithmic tendencies and biases of large language models. Meanwhile creatives and academics have leveraged LLMs to develop creative works and explore the boundaries of their…

Computation and Language · Computer Science 2025-12-08 P. D. Edgar , Alia Hall

We show that the standard computational pipeline of probabilistic programming systems (PPSs) can be inefficient for estimating expectations and introduce the concept of expectation programming to address this. In expectation programming,…

Machine Learning · Computer Science 2022-06-22 Tim Reichelt , Adam Goliński , Luke Ong , Tom Rainforth

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Biomolecules · Quantitative Biology 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan

Achieving high performance for GPU codes requires developers to have significant knowledge in parallel programming and GPU architectures, and in-depth understanding of the application. This combination makes it challenging to find…

Software Engineering · Computer Science 2022-08-29 Jhe-Yu Liou , Muaaz Awan , Steven Hofmeyr , Stephanie Forrest , Carole-Jean Wu

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Evolutionary algorithms have been used in the digital art scene since the 1970s. A popular application of genetic algorithms is to optimize the procedural placement of vector graphic primitives to resemble a given painting. In recent years,…

Neural and Evolutionary Computing · Computer Science 2022-01-31 Yingtao Tian , David Ha

Rapid advancements in genome sequencing have led to the collection of vast amounts of genomics data. Researchers may be interested in using machine learning models on such data to predict the pathogenicity or clinical significance of a…

Quantitative Methods · Quantitative Biology 2024-08-15 Arshmeet Kaur , Morteza Sarmadi

Current AI-assisted protein design mainly utilizes protein sequential and structural information. Meanwhile, there exists tremendous knowledge curated by humans in the text format describing proteins' high-level functionalities. Yet,…

A deductive program synthesis tool takes a specification as input and derives a program that satisfies the specification. The drawback of this approach is that search spaces for such correct programs tend to be enormous, making it difficult…

Neural and Evolutionary Computing · Computer Science 2023-01-23 Yutaka Nagashima

Eligibility criteria (EC) are essential for clinical trial design, yet drafting them remains a time-intensive and cognitively demanding task for clinicians. Existing automated approaches often fall at two extremes either requiring highly…

Artificial Intelligence · Computer Science 2026-02-03 Trisha Das , Katherine Kero , Dorinda Schumann , Tracy Ohrt , Sanjit Singh Batra , Gregory D Lyng , Robert E. Tillman

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment.…

Computation and Language · Computer Science 2023-10-03 Tianci Xue , Ziqi Wang , Heng Ji

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

Biomolecules · Quantitative Biology 2024-09-17 Boqiao Lai

Learning symbolic expressions directly from experiment data is a vital step in AI-driven scientific discovery. Nevertheless, state-of-the-art approaches are limited to learning simple expressions. Regressing expressions involving many…

Neural and Evolutionary Computing · Computer Science 2023-06-16 Nan Jiang , Yexiang Xue

Optimization problems find widespread use in both single-objective and multi-objective scenarios. In practical applications, users aspire for solutions that converge to the region of interest (ROI) along the Pareto front (PF). While the…

Artificial Intelligence · Computer Science 2025-03-10 Tian Huang , Shengbo Wang , Ke Li

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar
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