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Scientific and technological advances in medicine and systems biology have unequivocally shown that health and disease must be viewed in the context of the interplay among multiple molecular and environmental factors. Understanding the…

Breakthroughs in cancer biology have defined new research programs emphasizing the development of therapies that target specific pathways in tumor cells. Innovations in clinical trial design have followed with master protocols defined by…

Methodology · Statistics 2020-07-09 Alexander M. Kaizer , Joseph S. Koopmeiners , Nan Chen , Brian P. Hobbs

The long-term efficacy of targeted therapeutics for cancer treatment can be significantly limited by the type of therapy and development of drug resistance, inter alia. Experimental studies indicate that the factors enhancing acquisition of…

Tissues and Organs · Quantitative Biology 2021-02-16 Joseph Malinzi , Kevin Bosire Basita , Sara Padidar , Henry A. Adeola

We review algorithms for protein design in general. Although these algorithms have a rich combinatorial, geometric, and mathematical structure, they are almost never covered in computer science classes. Furthermore, many of these algorithms…

Computational Engineering, Finance, and Science · Computer Science 2019-10-01 Mark A. Hallen , Bruce R. Donald

A reflection of our ultimate understanding of a complex system is our ability to control its behavior. Typically, control has multiple prerequisites: It requires an accurate map of the network that governs the interactions between the…

Systems and Control · Computer Science 2016-09-21 Yang-Yu Liu , Albert-Laszló Barabási

The concepts and methods of Systems Biology are being extended to neuropharmacology, to test and design drugs against neurological and psychiatric disorders. Computational modeling by integrating compartmental neural modeling technique and…

Neurons and Cognition · Quantitative Biology 2007-05-23 Peter Erdi , Tamas Kiss , Janos Toth , Balazs Ujfalussy , Laszlo Zalanyi

We propose a new monotonically convergent algorithm which can enforce spectral constraints on the control field (and extends to arbitrary filters). The procedure differs from standard algorithms in that at each iteration the control field…

Quantum Physics · Physics 2015-05-13 M. Lapert , R. Tehini , G. Turinici , D. Sugny

System performance for networks composed of interconnected subsystems can be increased if the traditionally separated subsystems are jointly optimized. Recently, parallel and distributed optimization methods have emerged as a powerful tool…

Optimization and Control · Mathematics 2013-02-14 Ion Necoara , Valentin Nedelcu , Ioan Dumitrache

We consider the optimal design problem for identifying effective dose combinations within drug combination studies where the effect of the combination of two drugs is investigated. Drug combination studies are becoming increasingly…

We introduce a novel LLM based solution design approach that utilizes combinatorial optimization and sampling. Specifically, a set of factors that influence the quality of the solution are identified. They typically include factors that…

Computation and Language · Computer Science 2024-05-24 Samuel Ackerman , Eitan Farchi , Rami Katan , Orna Raz

Drug target identification is of significant commercial interest to pharmaceutical companies, and there is a vast amount of research done related to the topic of therapeutic target identification. Interdisciplinary research in this area…

Molecular Networks · Quantitative Biology 2013-07-30 Reka Albert , Bhaskar DasGupta , Nasim Mobasheri

Dysregulation in signal transduction pathways can lead to a variety of complex disorders, including cancer. Computational approaches such as network analysis are important tools to understand system dynamics as well as to identify critical…

Molecular Networks · Quantitative Biology 2015-11-12 Bhanwar Lal Puniya , Laura Allen , Colleen Hochfelder , Mahbubul Majumder , Tomáš Helikar

This paper surveys the recent attempts, both from the machine learning and operations research communities, at leveraging machine learning to solve combinatorial optimization problems. Given the hard nature of these problems,…

Machine Learning · Computer Science 2020-03-16 Yoshua Bengio , Andrea Lodi , Antoine Prouvost

The emerging field at the intersection of quantitative biology, network modeling, and control theory has enjoyed significant progress in recent years. This Special Issue brings together a selection of papers on complementary approaches to…

Molecular Networks · Quantitative Biology 2018-07-10 Reka Albert , John Baillieul , Adilson E. Motter

While many novel therapies have been approved in recent years for treating patients with multiple myeloma, there is still no established curative regimen, especially for patients with high risk disease. In this work, we use a mathematical…

Optimization and Control · Mathematics 2022-11-18 Mahya Aghaee , Urszula Ledzewicz , Michael Robbins , Natalie Bezman , Hearn Jay Cho , Helen Moore

Future wireless networks are envisioned to integrate multi-hop, multi-operator, multi-technology (m3) components in order to meet the increasing traffic demand at an acceptable price for subscribers. The performance of such a network…

Networking and Internet Architecture · Computer Science 2016-12-19 Beatriz Lorenzo , Savo Glisic

Nowadays, more and more clinical trials choose combinational agents as the intervention to achieve better therapeutic responses. However, dose-finding for combinational agents is much more complicated than single agent as the full order of…

Applications · Statistics 2022-08-05 Shu Wang , Ji-Hyun Lee

The systematic discovery of effective drug combinations is a challenging problem in modern pharmacology, driven by the combinatorial growth of potential pairings and dosage configurations. Network medicine, modeling diseases and drugs as…

Quantum Physics · Physics 2025-12-24 Diogo Ramos , Bruno Coutinho , Duarte Magano

With the advancement of high-throughput biotechnologies, we increasingly accumulate biomedical data about diseases, especially cancer. There is a need for computational models and methods to sift through, integrate, and extract new…

Quantitative Methods · Quantitative Biology 2020-07-03 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Combinatorial optimization problems are typically tackled by the branch-and-bound paradigm. We propose a new graph convolutional neural network model for learning branch-and-bound variable selection policies, which leverages the natural…

Machine Learning · Computer Science 2019-10-31 Maxime Gasse , Didier Chételat , Nicola Ferroni , Laurent Charlin , Andrea Lodi