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Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

Large Language Models (LLMs) have achieved great success in many real-world applications, especially the one serving as the cognitive backbone of Multi-Agent Systems (MAS) to orchestrate complex workflows in practice. Since many deployment…

Machine Learning · Computer Science 2026-03-04 Zhi Hong , Qian Zhang , Jiahang Sun , Zhiwei Shang , Mingze Kong , Xiangyi Wang , Yao Shu , Zhongxiang Dai

The performance of large language models (LLMs) is highly sensitive to the input prompt, making prompt optimization a critical task. However, real-world application is hindered by three major challenges: (1) the black-box nature of powerful…

Machine Learning · Computer Science 2025-09-30 Pingchen Lu , Zhi Hong , Zhiwei Shang , Zhiyong Wang , Yikun Ban , Yao Shu , Min Zhang , Shuang Qiu , Zhongxiang Dai

Rank aggregation problems aim to combine multiple individual orderings of a common set of items into a consensus ranking that best reflects the collective preferences. This paper introduces a general Integer Linear Programming (ILP)…

Optimization and Control · Mathematics 2025-11-25 Juan A. Aledo , Concepción Domínguez , Juan de Dios Jaime-Alcántara , Mercedes Landete

Large Language Models (LLMs) have demonstrated remarkable capabilities across various domains. Math Word Problems (MWPs) serve as a crucial benchmark for evaluating LLMs' reasoning abilities. While most research primarily focuses on…

Computation and Language · Computer Science 2025-09-09 Yuhong Sun , Zhangyue Yin , Xuanjing Huang , Xipeng Qiu , Hui Zhao

Solving multimodal optimization problems (MMOP) requires finding all optimal solutions, which is challenging in limited function evaluations. Although existing works strike the balance of exploration and exploitation through hand-crafted…

Neural and Evolutionary Computing · Computer Science 2024-04-15 Hongqiao Lian , Zeyuan Ma , Hongshu Guo , Ting Huang , Yue-Jiao Gong

Multi-label classification (MLC) is an ML task of predictive modeling in which a data instance can simultaneously belong to multiple classes. MLC is increasingly gaining interest in different application domains such as text mining,…

Machine Learning · Computer Science 2022-11-22 Ana Kostovska , Carola Doerr , Sašo Džeroski , Dragi Kocev , Panče Panov , Tome Eftimov

We consider the multi-item inventory lot-sizing problem with supplier selection. The problem consists of determining an optimal purchasing plan in order to satisfy dynamic deterministic demands for multiple items over a finite planning…

Optimization and Control · Mathematics 2021-02-22 Leopoldo E. Cárdenas-Barrón , Rafael A. Melo , Marcio C. Santos

Discrete black-box optimization problems are challenging for model-based optimization (MBO) algorithms, such as Bayesian optimization, due to the size of the search space and the need to satisfy combinatorial constraints. In particular,…

Optimization and Control · Mathematics 2022-06-15 Theodore Papalexopoulos , Christian Tjandraatmadja , Ross Anderson , Juan Pablo Vielma , David Belanger

The complexities of information processing across Dynamic Data Driven Applications Systems drive the development and adoption of Artificial Intelligence-based optimization solutions. Traditional solvers often suffer from slow response times…

Systems and Control · Electrical Eng. & Systems 2024-07-09 Meiyi Li , Javad Mohammadi

Given the increasing interest in interpretable machine learning, classification trees have again attracted the attention of the scientific community because of their glass-box structure. These models are usually built using greedy…

Machine Learning · Computer Science 2023-05-16 Tommaso Aldinucci

We transform join ordering into a mixed integer linear program (MILP). This allows to address query optimization by mature MILP solver implementations that have evolved over decades and steadily improved their performance. They offer…

Databases · Computer Science 2015-11-09 Immanuel Trummer , Christoph Koch

In 2019, Anderson et al. proposed the concept of rankability, which refers to a dataset's inherent ability to be meaningfully ranked. In this article, we give an expository review of the linear ordering problem (LOP) and then use it to…

Optimization and Control · Mathematics 2021-04-14 Thomas R. Cameron , Sebastian Charmot , Jonad Pulaj

Although multi-label learning can deal with many problems with label ambiguity, it does not fit some real applications well where the overall distribution of the importance of the labels matters. This paper proposes a novel learning…

Machine Learning · Computer Science 2016-04-06 Xin Geng

Large-scale multiobjective optimization problems (LSMOPs) refer to optimization problems with multiple conflicting optimization objectives and hundreds or even thousands of decision variables. A key point in solving LSMOPs is how to balance…

Neural and Evolutionary Computing · Computer Science 2023-04-17 Haokai Hong , Min Jiang , Liang Feng , Qiuzhen Lin , Kay Chen Tan

Niching is an important and widely used technique in evolutionary multi-objective optimization. Its applications mainly focus on maintaining diversity and avoiding early convergence to local optimum. Recently, a special class of…

Neural and Evolutionary Computing · Computer Science 2021-02-02 Yiming Peng , Hisao Ishibuchi

We present an integrated prediction-optimization (PredOpt) framework to efficiently solve sequential decision-making problems by predicting the values of binary decision variables in an optimal solution. We address the key issues of…

Machine Learning · Computer Science 2023-11-14 Dogacan Yilmaz , İ. Esra Büyüktahtakın

Leveraging machine learning (ML) to predict an initial solution for mixed-integer linear programming (MILP) has gained considerable popularity in recent years. These methods predict a solution and fix a subset of variables to reduce the…

Machine Learning · Computer Science 2025-03-04 Haoyang Liu , Jie Wang , Zijie Geng , Xijun Li , Yuxuan Zong , Fangzhou Zhu , Jianye Hao , Feng Wu

Integer linear programming (ILP) models a wide range of practical combinatorial optimization problems and significantly impacts industry and management sectors. This work proposes new characterizations of ILP with the concept of boundary…

Optimization and Control · Mathematics 2024-03-04 Peng Lin , Shaowei Cai , Mengchuan Zou , Jinkun Lin

In electronic trading markets, limit order books (LOBs) provide information about pending buy/sell orders at various price levels for a given security. Recently, there has been a growing interest in using LOB data for resolving downstream…

Statistical Finance · Quantitative Finance 2022-11-22 Defu Cao , Yousef El-Laham , Loc Trinh , Svitlana Vyetrenko , Yan Liu