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Constructive neural combinatorial optimization (NCO) has attracted growing research attention due to its ability to solve complex routing problems without relying on handcrafted rules. However, existing NCO methods face significant…

Artificial Intelligence · Computer Science 2025-05-20 Changliang Zhou , Xi Lin , Zhenkun Wang , Qingfu Zhang

Graph convolutional networks (GCNs) have demonstrated superiority in graph-based learning tasks. However, training GCNs on full graphs is particularly challenging, due to the following two challenges: (1) the associated feature tensors can…

Machine Learning · Computer Science 2025-02-26 Cheng Wan , Runkai Tao , Zheng Du , Yang Katie Zhao , Yingyan Celine Lin

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant…

Artificial Intelligence · Computer Science 2025-01-22 Zhi Zheng , Changliang Zhou , Tong Xialiang , Mingxuan Yuan , Zhenkun Wang

Engineers learn from every design they create, building intuition that helps them quickly identify promising solutions for new problems. Topology optimization (TO) - a well-established computational method for designing structures with…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Igor Kuszczak , Gawel Kus , Federico Bosi , Miguel A. Bessa

The pretraining-finetuning paradigm has powered major advances in domains such as natural language processing and computer vision, with representative examples including masked language modeling and next-token prediction. In molecular…

Machine Learning · Computer Science 2025-10-21 Shaoheng Yan , Zian Li , Muhan Zhang

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Zhenghao Liu , Yuan Fang , Zemin Liu , Sihong Chen , Xinming Zhang

Transfer of pre-trained representations can improve sample efficiency and reduce computational requirements for new tasks. However, representations used for transfer are usually generic, and are not tailored to a particular distribution of…

Achieving state-of-the-art performance on natural language understanding tasks typically relies on fine-tuning a fresh model for every task. Consequently, this approach leads to a higher overall parameter cost, along with higher technical…

Computation and Language · Computer Science 2020-07-14 Yi Tay , Zhe Zhao , Dara Bahri , Donald Metzler , Da-Cheng Juan

The rapid growth of graph data creates significant scalability challenges as most graph algorithms scale quadratically with size. To mitigate these issues, Graph Condensation (GC) methods have been proposed to learn a small graph from a…

Machine Learning · Computer Science 2025-08-06 Shengbo Gong , Mohammad Hashemi , Juntong Ni , Carl Yang , Wei Jin

The field of evolutionary many-task optimization (EMaTO) is increasingly recognized for its ability to streamline the resolution of optimization challenges with repetitive characteristics, thereby conserving computational resources. This…

Artificial Intelligence · Computer Science 2024-07-15 Yudong Yang , Kai Wu , Xiangyi Teng , Handing Wang , He Yu , Jing Liu

Recently, there has been extensive research on the capabilities of biologically plausible algorithms. In this work, we show how one of such algorithms, called predictive coding, is able to perform causal inference tasks. First, we show how…

Machine Learning · Computer Science 2024-06-04 Tommaso Salvatori , Luca Pinchetti , Amine M'Charrak , Beren Millidge , Thomas Lukasiewicz

Solving multiple visual tasks using individual models can be resource-intensive, while multi-task learning can conserve resources by sharing knowledge across different tasks. Despite the benefits of multi-task learning, such techniques can…

Computer Vision and Pattern Recognition · Computer Science 2023-08-16 Sara Shoouri , Mingyu Yang , Zichen Fan , Hun-Seok Kim

With the growing interest in foundation models for brain signals, graph-based pretraining has emerged as a promising paradigm for learning transferable representations from connectome data. However, existing contrastive and masked…

Machine Learning · Computer Science 2026-03-10 Xinxu Wei , Rong Zhou , Lifang He , Yu Zhang

One common belief is that with complex models and pre-training on large-scale datasets, transformer-based methods for referring expression comprehension (REC) perform much better than existing graph-based methods. We observe that since most…

Computer Vision and Pattern Recognition · Computer Science 2024-09-06 Jingcheng Ke , Dele Wang , Jun-Cheng Chen , I-Hong Jhuo , Chia-Wen Lin , Yen-Yu Lin

In real-world recommendation scenarios, users engage with items through various types of behaviors. Leveraging diversified user behavior information for learning can enhance the recommendation of target behaviors (e.g., buy), as…

Information Retrieval · Computer Science 2025-02-05 Chenhao Zhai , Chang Meng , Yu Yang , Kexin Zhang , Xuhao Zhao , Xiu Li

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Identifying the sets of operations that can be executed simultaneously is an important problem appearing in many parallel applications. By modeling the operations and their interactions as a graph, one can identify the independent…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-28 Ahmet Erdem Sarıyüce , Erik Saule , Ümit V. Çatalyürek

The field of neural combinatorial optimization (NCO) trains neural policies to solve NP-hard problems such as the traveling salesperson problem (TSP). We ask whether, beyond producing good tours, a trained TSP solver learns internal…

Machine Learning · Computer Science 2026-02-10 Reuben Narad , Léonard Boussioux , Michael Wagner

Large-scale "pre-train and prompt learning" paradigms have demonstrated remarkable adaptability, enabling broad applications across diverse domains such as question answering, image recognition, and multimodal retrieval. This approach fully…

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola