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Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce labeled data remains a challenge for machine learning…

Biomolecules · Quantitative Biology 2022-12-20 Xin Xia , Yansen Su , Chunhou Zheng , Xiangxiang Zeng

Recently, Pareto Set Learning (PSL) has been proposed for learning the entire Pareto set using a neural network. PSL employs preference vectors to scalarize multiple objectives, facilitating the learning of mappings from preference vectors…

Neural and Evolutionary Computing · Computer Science 2024-04-15 Rongguang Ye , Longcan Chen , Jinyuan Zhang , Hisao Ishibuchi

Designing multi-functional alloys requires exploring high-dimensional composition-structure-property spaces, yet current tools are limited to low-dimensional projections and offer limited support for sensitivity or multi-objective tradeoff…

Human-Computer Interaction · Computer Science 2025-11-05 Suyang Li , Fernando Fajardo-Rojas , Diego Gomez-Gualdron , Remco Chang , Mingwei Li

In multi-task learning, multiple tasks are solved jointly, sharing inductive bias between them. Multi-task learning is inherently a multi-objective problem because different tasks may conflict, necessitating a trade-off. A common compromise…

Machine Learning · Computer Science 2019-01-14 Ozan Sener , Vladlen Koltun

Multi-objective optimization is key to solving many Engineering Design problems, where design parameters are optimized for several performance indicators. However, optimization results are highly dependent on how the designs are…

Machine Learning · Computer Science 2021-09-29 Wei Chen , Faez Ahmed

Multiobjective combinatorial optimization (MOCO) problems can be found in many real-world applications. However, exactly solving these problems would be very challenging, particularly when they are NP-hard. Many handcrafted heuristic…

Machine Learning · Computer Science 2022-05-10 Xi Lin , Zhiyuan Yang , Qingfu Zhang

Real-world multiobjective optimization problems usually involve conflicting objectives that change over time, which requires the optimization algorithms to quickly track the Pareto optimal front (POF) when the environment changes. In recent…

Neural and Evolutionary Computing · Computer Science 2021-02-25 Dejun Xu , Min Jiang , Weizhen Hu , Shaozi Li , Renhu Pan , Gary G. Yen

We present a framework for optimizing prompts in vision-language models to elicit multimodal reasoning without model retraining. Using an evolutionary algorithm to guide prompt updates downstream of visual tasks, our approach improves upon…

Computation and Language · Computer Science 2025-04-01 Sid Bharthulwar , John Rho , Katrina Brown

Pareto front profiling in multi-objective optimization (MOO), i.e., finding a diverse set of Pareto optimal solutions, is challenging, especially with expensive objectives that require training a neural network. Typically, in MOO for neural…

Machine Learning · Computer Science 2025-02-06 Rhea Sanjay Sukthanker , Arber Zela , Benedikt Staffler , Samuel Dooley , Josif Grabocka , Frank Hutter

Mathematical models of natural and man-made systems often have many adjustable parameters that must be estimated from multiple, potentially conflicting datasets. Rather than reporting a single best-fit parameter vector, it is often more…

Quantitative Methods · Quantitative Biology 2026-04-01 Jeffrey D. Varner

Multi-modal multi-objective optimization is to locate (almost) equivalent Pareto optimal solutions as many as possible. Some evolutionary algorithms for multi-modal multi-objective optimization have been proposed in the literature. However,…

Neural and Evolutionary Computing · Computer Science 2020-10-02 Ryoji Tanabe , Hisao Ishibuchi

Expensive multi-objective optimization is a prevalent and crucial concern in many real-world scenarios, where sample-efficiency is vital due to the limited evaluations to recover the true Pareto front for decision making. Existing works…

Machine Learning · Computer Science 2026-02-03 Yiming Yao , Fei Liu , Liang Zhao , Xi Lin , Yilu Liu , Qingfu Zhang

Many optimization problems arising in applications have to consider several objective functions at the same time. Evolutionary algorithms seem to be a very natural choice for dealing with multi-objective problems as the population of such…

Neural and Evolutionary Computing · Computer Science 2013-09-17 Tobias Friedrich , Frank Neumann , Christian Thyssen

Evolutionary multitasking (EMT) has emerged as a popular topic of evolutionary computation over the past decade. It aims to concurrently address multiple optimization tasks within limited computing resources, leveraging inter-task knowledge…

Neural and Evolutionary Computing · Computer Science 2026-02-11 Yanchi Li , Wenyin Gong , Tingyu Zhang , Fei Ming , Shuijia Li , Qiong Gu , Yew-Soon Ong

The multi-task learning (MTL) paradigm can be traced back to an early paper of Caruana (1997) in which it was argued that data from multiple tasks can be used with the aim to obtain a better performance over learning each task…

Machine Learning · Computer Science 2021-12-10 Andrea Ponti

Evolutionary algorithms (EAs) have proven effective in exploring the vast solution spaces typical of graph-structured combinatorial problems. However, traditional encoding schemes, such as binary or numerical representations, often fail to…

Neural and Evolutionary Computing · Computer Science 2025-10-28 Jie Zhao , Kang Hao Cheong

We present an algorithm for multi-objective optimization of computationally expensive problems. The proposed algorithm is based on solving a set of surrogate problems defined by models of the real one, so that only solutions estimated to be…

Neural and Evolutionary Computing · Computer Science 2021-04-20 Santiago Cuervo , Miguel Melgarejo , Angie Blanco-Cañon , Laura Reyes-Fajardo , Sergio Rojas-Galeano

We consider multiobjective combinatorial optimization problems handled by means of preference driven efficient heuristics. They look for the most preferred part of the Pareto front on the basis of some preferences expressed by the Decision…

Optimization and Control · Mathematics 2022-03-09 Maria Barbati , Salvatore Corrente , Salvatore Greco

Identifying species in biology among tens of thousands of visually similar taxa while discovering unknown species in open-world environments remains a fundamental challenge in biodiversity research. Current methods treat identification and…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Jiawei Wang , Ming Lei , Yaning Yang , Xinyan Lin , Yuquan Le , Qiwei Ma , Zhiwei Xu , Zheqi Lv , Yuchen Ang , Zhe Quan , Tat-Seng Chua

Multi-modal large language models (MLLMs) have achieved remarkable capabilities by integrating visual perception with language understanding, enabling applications such as image-grounded dialogue, visual question answering, and scientific…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Tianyi Bai , Zengjie Hu , Fupeng Sun , Jiantao Qiu , Yizhen Jiang , Guangxin He , Bohan Zeng , Conghui He , Binhang Yuan , Wentao Zhang
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