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Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

The outbreak of mutant strains and vaccination behaviors have been the focus of recent epidemiological research, but most existing epidemic models failed to simultaneously capture viral mutation and consider the complexity and behavioral…

Populations and Evolution · Quantitative Biology 2026-01-16 Wenjie Zhang , Yusheng Li , Qin Li , Guojun Huang , Minyu Feng

Optimal use and distribution of Covid-19 vaccines involves adjustments of dosing. Due to the rapidly-evolving pandemic, such adjustments often need to be introduced before full efficacy data are available. As demonstrated in other areas of…

Quantitative Methods · Quantitative Biology 2021-08-17 Mario Giorgi , Rajat Desikan , Piet H. van der Graaf , Andrzej M. Kierzek

Improving algorithms via predictions is a very active research topic in recent years. This paper initiates the systematic study of mechanism design in this model. In a number of well-studied mechanism design settings, we make use of…

Computer Science and Game Theory · Computer Science 2023-01-13 Chenyang Xu , Pinyan Lu

Machine learning is expected to fuel significant improvements in medical care. To ensure that fundamental principles such as beneficence, respect for human autonomy, prevention of harm, justice, privacy, and transparency are respected,…

In response to COVID-19, many countries have mandated social distancing and banned large group gatherings in order to slow down the spread of SARS-CoV-2. These social interventions along with vaccines remain the best way forward to reduce…

Artificial Intelligence · Computer Science 2022-02-11 George Li , Ann Li , Madhav Marathe , Aravind Srinivasan , Leonidas Tsepenekas , Anil Vullikanti

Model selection is a strategy aimed at creating accurate and robust models. A key challenge in designing these algorithms is identifying the optimal model for classifying any particular input sample. This paper addresses this challenge and…

Machine Learning · Computer Science 2023-05-22 James Kotary , Vincenzo Di Vito , Ferdinando Fioretto

The aggregation of conflicting preferences is a central problem in multiagent systems. The key difficulty is that the agents may report their preferences insincerely. Mechanism design is the art of designing the rules of the game so that…

Computer Science and Game Theory · Computer Science 2007-05-23 Vincent Conitzer , Tuomas Sandholm

Current pharmaceutical formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists, which is laborious, time-consuming and costly. Recently, deep learning…

Machine Learning · Computer Science 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

Probabilistic generative deep learning for molecular design involves the discovery and design of new molecules and analysis of their structure, properties and activities by probabilistic generative models using the deep learning approach.…

Machine Learning · Computer Science 2019-02-15 Daniel T. Chang

We present a new optimization method for the group selection problem in linear regression. In this problem, predictors are assumed to have a natural group structure and the goal is to select a small set of groups that best fits the…

Methodology · Statistics 2024-04-23 Anant Mathur , Sarat Moka , Benoit Liquet , Zdravko Botev

Optimized sensing is important for computational imaging in low-resource environments, when images must be recovered from severely limited measurements. In this paper, we propose a physics-constrained, fully differentiable, autoencoder that…

Image and Video Processing · Electrical Eng. & Systems 2020-03-24 He Sun , Adrian V. Dalca , Katherine L. Bouman

Artificial immune system can be used to generate schedules in changing environments and it has been proven to be more robust than schedules developed using a genetic algorithm. Good schedules can be produced especially when the number of…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Uwe Aickelin , Edmund Burke , Aniza Din

Formulating accurate and robust classification strategies is a key challenge of developing diagnostic and antibody tests. Methods that do not explicitly account for disease prevalence and uncertainty therein can lead to significant…

Methodology · Statistics 2022-02-01 Paul N. Patrone , Anthony J. Kearsley

Pattern detection and string matching are fundamental problems in computer science and the accelerated expansion of bioinformatics and computational biology have made them a core topic for both disciplines. The SARS-CoV-2 pandemic has made…

Genomics · Quantitative Biology 2025-05-14 Konstantinos Xylogiannopoulos

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

In this paper, we study the optimal control for an SEIR model adapted to the vaccination strategy of susceptible individuals. There are factors associated with a vaccination campaign that make this strategy not only a public health issue…

Optimization and Control · Mathematics 2024-11-08 Nelson L. Santos Junior , João A. M. Gondim

We study the performance of shape-constrained methods for evaluating immune response profiles from early-phase vaccine trials. The motivating problem for this work involves quantifying and comparing the IgG binding immune responses to the…

Methodology · Statistics 2022-11-01 Nilanjana Laha , Zoe Moodie , Ying Huang , Alex Luedtke

We review a recent trend in computational systems biology which aims at using pattern recognition algorithms to infer the structure of large-scale biological networks from heterogeneous genomic data. We present several strategies that have…

Quantitative Methods · Quantitative Biology 2008-09-22 Jean-Philippe Vert

Effective representations of protein sequences are widely recognized as a cornerstone of machine learning-based protein design. Yet, protein bioengineering poses unique challenges for sequence representation, as experimental datasets…

Quantitative Methods · Quantitative Biology 2026-04-07 Ana F. Rodrigues , Lucas Ferraz , Laura Balbi , Pedro Giesteira Cotovio , Catia Pesquita
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