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We present GO-CBED, a goal-oriented Bayesian framework for sequential causal experimental design. Unlike conventional approaches that select interventions aimed at inferring the full causal model, GO-CBED directly maximizes the expected…

Machine Learning · Computer Science 2025-07-11 Zheyu Zhang , Jiayuan Dong , Jie Liu , Xun Huan

Real-world problems are often multi-objective with decision-makers unable to specify a priori which trade-off between the conflicting objectives is preferable. Intuitively, building machine learning solutions in such cases would entail…

Machine Learning · Computer Science 2021-10-20 Timo M. Deist , Monika Grewal , Frank J. W. M. Dankers , Tanja Alderliesten , Peter A. N. Bosman

It is desirable in many multi-objective machine learning applications, such as multi-task learning with conflicting objectives and multi-objective reinforcement learning, to find a Pareto solution that can match a given preference of a…

Machine Learning · Computer Science 2024-02-19 Xiaoyuan Zhang , Xi Lin , Qingfu Zhang

Generative Flow Networks (GFlowNets) are amortized samplers that learn stochastic policies to sequentially generate compositional objects from a given unnormalized reward distribution. They can generate diverse sets of high-reward objects,…

Machine Learning · Computer Science 2023-10-06 Ling Pan , Moksh Jain , Kanika Madan , Yoshua Bengio

One of the challenges in Synthetic Biology is to design circuits with increasing levels of complexity. While circuits in Biology are complex and subject to natural tradeoffs, most synthetic circuits are simple in terms of the number of…

Optimization and Control · Mathematics 2014-03-03 Irene Otero-Muras , Julio R. Banga

Building world models that accurately and comprehensively represent the real world is the utmost aspiration for conditional image generative models as it would enable their use as world simulators. For these models to be successful world…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Pietro Astolfi , Marlene Careil , Melissa Hall , Oscar Mañas , Matthew Muckley , Jakob Verbeek , Adriana Romero Soriano , Michal Drozdzal

Deep learning models form one of the most powerful machine learning models for the extraction of important features. Most of the designs of deep neural models, i.e., the initialization of parameters, are still manually tuned. Hence,…

Machine Learning · Computer Science 2023-05-18 Mrittika Chakraborty , Wreetbhas Pal , Sanghamitra Bandyopadhyay , Ujjwal Maulik

Camouflaged object detection (COD) aims to identify targets that are highly blended with their backgrounds. Recent works have shown that the optical characteristics of polarization cues play a significant role in improving camouflaged…

Computer Vision and Pattern Recognition · Computer Science 2026-04-02 QIfan Zhang , Hao Wang , Xiangrong Qin , Ruijie Li

In this short note, we discuss a goal-oriented multiobjective optimization problem for system performance assessment. The objective function for such optimization problem, which is usually a composite of different performance indices…

Optimization and Control · Mathematics 2020-06-12 Getachew K Befekadu

Multi-objective optimization (MOO) arises in many real-world applications where trade-offs between competing objectives must be carefully balanced. In the offline setting, where only a static dataset is available, the main challenge is…

Machine Learning · Computer Science 2026-02-16 Jatan Shrestha , Santeri Heiskanen , Kari Hepola , Severi Rissanen , Pekka Jääskeläinen , Joni Pajarinen

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

Chemical Physics · Physics 2021-02-12 Navid Shervani-Tabar , Nicholas Zabaras

Multi-objective optimization (MOO) is a prevalent challenge for Deep Learning, however, there exists no scalable MOO solution for truly deep neural networks. Prior work either demand optimizing a new network for every point on the Pareto…

Machine Learning · Computer Science 2021-10-15 Michael Ruchte , Josif Grabocka

Service supply chain management is to prepare spare parts for failed products under warranty. Their goal is to reach agreed service level at the minimum cost. We convert this business problem into a preference based multi-objective…

Artificial Intelligence · Computer Science 2019-06-20 Wenli Ouyang

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

In this paper, a tunneling method is developed for nonlinear multiobjective optimization problems using some ideas of the single objective tunneling method. The proposed method does not require any a priori chosen parameters or ordering…

Optimization and Control · Mathematics 2025-10-06 Bikram Adhikary , Md Abu Talhamainuddin Ansary

Multi-objective learning under user-specified preference is common in real-world problems such as multi-lingual speech recognition under fairness. In this work, we frame such a problem as a semivectorial bilevel optimization problem, whose…

Optimization and Control · Mathematics 2025-04-07 Lisha Chen , Quan Xiao , Ellen Hidemi Fukuda , Xinyi Chen , Kun Yuan , Tianyi Chen

We present a review that unifies decision-support methods for exploring the solutions produced by multi-objective optimization (MOO) algorithms. As MOO is applied to solve diverse problems, approaches for analyzing the trade-offs offered by…

Artificial Intelligence · Computer Science 2023-11-21 Zuzanna Osika , Jazmin Zatarain Salazar , Diederik M. Roijers , Frans A. Oliehoek , Pradeep K. Murukannaiah

In alloy design, the search for candidate materials is often framed as an optimization problem, with the goal of identifying Pareto-optimal solutions across multiple objectives. However, Pareto-optimal solutions do not necessarily satisfy…

Materials Science · Physics 2025-10-24 Cayden Maguire , Christofer Hardcastle , Trevor Hastings , Raymundo Arróyave , Brent Vela

The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material…

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
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