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We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

Meta learning with multiple objectives can be formulated as a Multi-Objective Bi-Level optimization Problem (MOBLP) where the upper-level subproblem is to solve several possible conflicting targets for the meta learner. However, existing…

Machine Learning · Computer Science 2021-02-16 Feiyang Ye , Baijiong Lin , Zhixiong Yue , Pengxin Guo , Qiao Xiao , Yu Zhang

Generative Flow Networks (GFlowNets or GFNs) are probabilistic models predicated on Markov flows, and they employ specific amortization algorithms to learn stochastic policies that generate compositional substances including biomolecules,…

Machine Learning · Computer Science 2025-03-21 Shuai Guo , Jielei Chu , Lin Ma , Zhaoyu Li , Tianrui Li

Multi-objective optimization (MOO) aims to optimize multiple, possibly conflicting objectives with widespread applications. We introduce a novel interacting particle method for MOO inspired by molecular dynamics simulations. Our approach…

Machine Learning · Computer Science 2024-11-22 Yinuo Ren , Tesi Xiao , Tanmay Gangwani , Anshuka Rangi , Holakou Rahmanian , Lexing Ying , Subhajit Sanyal

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

Multi-task learning (MTL), which aims to improve performance by learning multiple tasks simultaneously, inherently presents an optimization challenge due to multiple objectives. Hence, multi-objective optimization (MOO) approaches have been…

Artificial Intelligence · Computer Science 2021-10-08 Simyung Chang , KiYoon Yoo , Jiho Jang , Nojun Kwak

We consider the problem of sampling from a discrete and structured distribution as a sequential decision problem, where the objective is to find a stochastic policy such that objects are sampled at the end of this sequential process…

Machine Learning · Computer Science 2024-05-29 Tristan Deleu , Padideh Nouri , Nikolay Malkin , Doina Precup , Yoshua Bengio

Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their…

Machine Learning · Computer Science 2025-05-06 Tianshu Yu

Generative Flow Networks (GFlowNets) have emerged as an innovative learning paradigm designed to address the challenge of sampling from an unnormalized probability distribution, called the reward function. This framework learns a policy on…

Machine Learning · Computer Science 2024-07-04 Anas Krichel , Nikolay Malkin , Salem Lahlou , Yoshua Bengio

Artificial intelligence holds promise to improve materials discovery. GFlowNets are an emerging deep learning algorithm with many applications in AI-assisted discovery. By using GFlowNets, we generate porous reticular materials, such as…

Computational Engineering, Finance, and Science · Computer Science 2024-09-20 Flaviu Cipcigan , Jonathan Booth , Rodrigo Neumann Barros Ferreira , Carine Ribeiro dos Santos , Mathias Steiner

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

Post-training of LLMs with RLHF, and subsequently preference optimization algorithms such as DPO, IPO, etc., made a big difference in improving human alignment. However, all such techniques can only work with a single (human) objective. In…

Machine Learning · Computer Science 2025-05-19 Akhil Agnihotri , Rahul Jain , Deepak Ramachandran , Zheng Wen

The emergence of microgrids (MGs) has provided a promising solution for decarbonizing and decentralizing the power grid, mitigating the challenges posed by climate change. However, MG operations often involve considering multiple objectives…

Systems and Control · Electrical Eng. & Systems 2025-02-18 M. Vivienne Liu , Patrick M. Reed , David Gold , Garret Quist , C. Lindsay Anderson

As machine learning (ML) applications grow increasingly complex in recent years, modern ML frameworks often need to address multiple potentially conflicting objectives with coupled decision variables across different layers. This creates a…

Machine Learning · Computer Science 2025-11-12 Zhiyao Zhang , Zhuqing Liu , Xin Zhang , Wen-Yen Chen , Jiyan Yang , Jia Liu

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

Automated machine learning has gained a lot of attention recently. Building and selecting the right machine learning models is often a multi-objective optimization problem. General purpose machine learning software that simultaneously…

Machine Learning · Computer Science 2019-08-15 Steven Gardner , Oleg Golovidov , Joshua Griffin , Patrick Koch , Wayne Thompson , Brett Wujek , Yan Xu

Foundational language models show a remarkable ability to learn new concepts during inference via context data. However, similar work for images lag behind. To address this challenge, we introduce FLoWN, a flow matching model that learns to…

Machine Learning · Computer Science 2025-04-22 Daniel Saragih , Deyu Cao , Tejas Balaji , Ashwin Santhosh

Generative Flow Networks (GFlowNets; GFNs) are a class of generative models that learn to sample compositional objects proportionally to their a priori unknown value, their reward. We focus on the case where the reward has a specified,…

Machine Learning · Computer Science 2026-05-12 Alexandre Larouche , Audrey Durand

Achieving chemical accuracy in quantum simulations is often constrained by the measurement bottleneck: estimating operators requires a large number of shots, which remains costly even on fault-tolerant devices and is further exacerbated on…

Quantum Physics · Physics 2025-09-22 Isaac L. Huidobro-Meezs , Jun Dai , Rodrigo A. Vargas-Hernández

We show that deep generative neural networks, based on global topology optimization networks (GLOnets), can be configured to perform the multi-objective and categorical global optimization of photonic devices. A residual network scheme…

Applied Physics · Physics 2020-11-12 Jiaqi Jiang , Jonathan A. Fan
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