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Creating diverse sets of high quality solutions has become an important problem in recent years. Previous works on diverse solutions problems consider solutions' objective quality and diversity where one is regarded as the optimization goal…

Neural and Evolutionary Computing · Computer Science 2024-01-17 Anh Viet Do , Mingyu Guo , Aneta Neumann , Frank Neumann

Deep neural network learning can be formulated as a non-convex optimization problem. Existing optimization algorithms, e.g., Adam, can learn the models fast, but may get stuck in local optima easily. In this paper, we introduce a novel…

Machine Learning · Computer Science 2019-03-12 Jiawei Zhang , Fisher B. Gouza

Markov State Models (MSMs) are a powerful framework to reproduce the long-time conformational dynamics of biomolecules using a set of short Molecular Dynamics (MD) simulations. However, precise kinetics predictions of MSMs heavily rely on…

Biomolecules · Quantitative Biology 2018-06-27 Qihua Chen , Jiangyan Feng , Shriyaa Mittal , Diwakar Shukla

We propose a new multimodal variational autoencoder that enables to generate from the joint distribution and conditionally to any number of complex modalities. The unimodal posteriors are conditioned on the Deep Canonical Correlation…

Machine Learning · Statistics 2023-05-22 Agathe Senellart , Clément Chadebec , Stéphanie Allassonnière

We address the optimization problem of simultaneously minimizing multiple objective functionals over a family of probability distributions. This type of Multi-Objective Distributional Optimization commonly arises in machine learning and…

Machine Learning · Computer Science 2025-05-27 Dai Hai Nguyen , Hiroshi Mamitsuka , Atsuyoshi Nakamura

Multi-Objective Evolutionary Algorithms (MOEAs) have been proved efficient to deal with Multi-objective Optimization Problems (MOPs). Until now tens of MOEAs have been proposed. The unified mode would provide a more systematic approach to…

Neural and Evolutionary Computing · Computer Science 2011-02-01 Bojin Zheng , Yuanxiang Li

We study policy optimization for Markov decision processes (MDPs) with multiple reward value functions, which are to be jointly optimized according to given criteria such as proportional fairness (smooth concave scalarization), hard…

Machine Learning · Computer Science 2022-10-19 Ruida Zhou , Tao Liu , Dileep Kalathil , P. R. Kumar , Chao Tian

Variable division and optimization (D\&O) is a frequently utilized algorithm design paradigm in Evolutionary Algorithms (EAs). A D\&O EA divides a variable into partial variables and then optimize them respectively. A complicated problem is…

Neural and Evolutionary Computing · Computer Science 2021-01-22 Yi Chen , Aimin Zhou

In this work, we show the intrinsic relations between optimal transportation and convex geometry, especially the variational approach to solve Alexandrov problem: constructing a convex polytope with prescribed face normals and volumes. This…

Machine Learning · Computer Science 2017-12-20 Na Lei , Kehua Su , Li Cui , Shing-Tung Yau , David Xianfeng Gu

Revealing the functional sites of biological sequences, such as evolutionary conserved, structurally interacting or co-evolving protein sites, is a fundamental, and yet challenging task. Different frameworks and models were developed to…

Quantitative Methods · Quantitative Biology 2019-06-07 Justas Dauparas , Haobo Wang , Avi Swartz , Peter Koo , Mor Nitzan , Sergey Ovchinnikov

In this paper, we introduce, MultiGA, an optimization framework which applies genetic algorithm principles to address complex natural language tasks and reasoning problems by sampling from a diverse population of LLMs to initialize the…

Neural and Evolutionary Computing · Computer Science 2026-04-03 Isabelle Diana May-Xin Ng , Tharindu Cyril Weerasooriya , Haitao Zhu , Wei Wei

This chapter presents a self-contained approach of variational analysis and generalized differentiation to deriving necessary optimality in problems of bilevel optimization with Lipschitzian data. We mainly concentrate on optimistic models,…

Optimization and Control · Mathematics 2019-07-16 Boris S. Mordukhovich

One important feature of complex systems are problem domains that have many local minima and substructure. Biological systems manage these local minima by switching between different subsystems depending on their environmental or…

Neural and Evolutionary Computing · Computer Science 2022-08-25 Ankit Grover , Vaishali Yadav , Bradly Alicea

Technical indicators use graphic representations of data sets by applying various mathematical formulas to financial time series of prices. These formulas comprise a set of rules and parameters whose values are not necessarily known and…

Neural and Evolutionary Computing · Computer Science 2022-11-07 Francisco J. Soltero , Pablo Fernández-Blanco , J. Ignacio Hidalgo

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis

Bilevel learning refers to machine learning problems that can be formulated as bilevel optimization models, where decisions are organized in a hierarchical structure. This paradigm has recently gained considerable attention in machine…

Optimization and Control · Mathematics 2026-05-05 Riccardo Grazzi , Massimiliano Pontil , Saverio Salzo , Alain Zemkoho

Learning multimodal representations is a fundamentally complex research problem due to the presence of multiple heterogeneous sources of information. Although the presence of multiple modalities provides additional valuable information,…

Machine Learning · Computer Science 2019-05-15 Yao-Hung Hubert Tsai , Paul Pu Liang , Amir Zadeh , Louis-Philippe Morency , Ruslan Salakhutdinov

Automata learning has been successfully applied in the verification of hardware and software. The size of the automaton model learned is a bottleneck for scalability, and hence optimizations that enable learning of compact representations…

Formal Languages and Automata Theory · Computer Science 2019-11-04 Gerco van Heerdt , Matteo Sammartino , Alexandra Silva

The conventional understanding of adversarial training in generative adversarial networks (GANs) is that the discriminator is trained to estimate a divergence, and the generator learns to minimize this divergence. We argue that despite the…

Machine Learning · Statistics 2023-08-09 Mingxuan Yi , Zhanxing Zhu , Song Liu

The prevalence of variational methods in near-term quantum computing makes optimizer choice critical, yet selection is frequently intuition-based. We therefore present a systematic benchmark of eight classical optimization algorithms for…

Quantum Physics · Physics 2026-01-23 S. Illésová , V. Novák , T. Bezděk , C. Possel , M. Beseda