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This work presents a novel approach to tabular data prediction leveraging graph structure learning and graph neural networks. Despite the prevalence of tabular data in real-world applications, traditional deep learning methods often…

Machine Learning · Computer Science 2023-05-26 Jay Chiehen Liao , Cheng-Te Li

Causal discovery aims to learn causal relationships between variables from targeted data, making it a fundamental task in machine learning. However, causal discovery algorithms often rely on unverifiable causal assumptions, which are…

Machine Learning · Computer Science 2025-10-15 Huiyang Yi , Yanyan He , Duxin Chen , Mingyu Kang , He Wang , Wenwu Yu

With the growing complexity of cyberattacks targeting critical infrastructures such as water treatment networks, there is a pressing need for robust anomaly detection strategies that account for both system vulnerabilities and evolving…

Machine Learning · Computer Science 2025-08-14 Arun Vignesh Malarkkan , Haoyue Bai , Dongjie Wang , Yanjie Fu

Discovering the underlying Directed Acyclic Graph (DAG) from time series observational data is highly challenging due to the dynamic nature and complex nonlinear interactions between variables. Existing methods typically search for the…

Machine Learning · Computer Science 2025-03-21 Jiajun Zhang , Boyang Qiang , Xiaoyu Guo , Weiwei Xing , Yue Cheng , Witold Pedrycz

The discovery of causal relationships between random variables is an important yet challenging problem that has applications across many scientific domains. Differentiable causal discovery (DCD) methods are effective in uncovering causal…

Machine Learning · Computer Science 2024-10-29 Shiv Kampani , David Hidary , Constantijn van der Poel , Martin Ganahl , Brenda Miao

Causal structure discovery from observations can be improved by integrating background knowledge provided by an expert to reduce the hypothesis space. Recently, Large Language Models (LLMs) have begun to be considered as sources of prior…

Machine Learning · Computer Science 2024-05-24 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

Multi-view multi-label learning frequently suffers from simultaneous feature absence and incomplete annotations, due to challenges in data acquisition and cost-intensive supervision. To tackle the complex yet highly practical problem while…

Computer Vision and Pattern Recognition · Computer Science 2026-01-12 Quanjiang Li , Zhiming Liu , Tianxiang Xu , Tingjin Luo , Chenping Hou

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen

We propose a novel framework that leverages LLMs for full causal graph discovery. While previous LLM-based methods have used a pairwise query approach, this requires a quadratic number of queries which quickly becomes impractical for larger…

Machine Learning · Computer Science 2026-04-06 Thomas Jiralerspong , Xiaoyin Chen , Yash More , Vedant Shah , Yoshua Bengio

Data augmentation is essential when applying Machine Learning in small-data regimes. It generates new samples following the observed data distribution while increasing their diversity and variability to help researchers and practitioners…

Machine Learning · Computer Science 2023-04-10 Audrey Poinsot , Alessandro Leite

This paper presents FLGC, a simple yet effective fully linear graph convolutional network for semi-supervised and unsupervised learning. Instead of using gradient descent, we train FLGC based on computing a global optimal closed-form…

Machine Learning · Computer Science 2021-11-16 Yaoming Cai , Zijia Zhang , Zhihua Cai , Xiaobo Liu , Yao Ding , Pedram Ghamisi

Causal graph recovery is traditionally done using statistical estimation-based methods or based on individual's knowledge about variables of interests. They often suffer from data collection biases and limitations of individuals' knowledge.…

Computation and Language · Computer Science 2024-06-19 Yuzhe Zhang , Yipeng Zhang , Yidong Gan , Lina Yao , Chen Wang

In the algorithm Intersort, Chevalley et al. (2024) proposed a score-based method to discover the causal order of variables in a Directed Acyclic Graph (DAG) model, leveraging interventional data to outperform existing methods. However, as…

Machine Learning · Computer Science 2024-10-14 Mathieu Chevalley , Arash Mehrjou , Patrick Schwab

Large language models (LLMs) commonly struggle with specialized or emerging topics which are rarely seen in the training corpus. Graph-based retrieval-augmented generation (GraphRAG) addresses this by structuring domain knowledge as a graph…

Information Retrieval · Computer Science 2025-06-05 Zhefan Wang , Huanjun Kong , Jie Ying , Wanli Ouyang , Nanqing Dong

Large language models (LLMs) have demonstrated remarkable capabilities in a wide range of tasks, yet their application to specialized domains remains challenging due to the need for deep expertise. Retrieval-Augmented generation (RAG) has…

Computation and Language · Computer Science 2025-09-30 Qinggang Zhang , Shengyuan Chen , Yuanchen Bei , Zheng Yuan , Huachi Zhou , Zijin Hong , Hao Chen , Yilin Xiao , Chuang Zhou , Junnan Dong , Yi Chang , Xiao Huang

Retrieval-Augmented Generation (RAG) has significantly mitigated the hallucinations of Large Language Models (LLMs) by grounding the generation with external knowledge. Recent extensions of RAG to graph-based retrieval offer a promising…

Machine Learning · Computer Science 2025-09-23 Jialin Chen , Houyu Zhang , Seongjun Yun , Alejandro Mottini , Rex Ying , Xiang Song , Vassilis N. Ioannidis , Zheng Li , Qingjun Cui

Unveil, model, and comprehend the causal mechanisms underpinning natural phenomena stand as fundamental endeavors across myriad scientific disciplines. Meanwhile, new knowledge emerges when discovering causal relationships from data.…

Machine Learning · Computer Science 2023-12-13 Jiaxuan Liang , Jun Wang , Guoxian Yu , Shuyin Xia , Guoyin Wang

In many domains of empirical sciences, discovering the causal structure within variables remains an indispensable task. Recently, to tackle with unoriented edges or latent assumptions violation suffered by conventional methods, researchers…

Machine Learning · Computer Science 2024-12-30 Shixuan Liu , Yanghe Feng , Keyu Wu , Guangquan Cheng , Jincai Huang , Zhong Liu

Label Distribution Learning (LDL) is an effective approach for handling label ambiguity, as it can analyze all labels at once and indicate the extent to which each label describes a given sample. Most existing LDL methods consider the…

Machine Learning · Computer Science 2024-11-21 Ziqi Jia , Xiaoyang Qu , Chenghao Liu , Jianzong Wang

Learning the structure of causal directed acyclic graphs (DAGs) is useful in many areas of machine learning and artificial intelligence, with wide applications. However, in the high-dimensional setting, it is challenging to obtain good…

Machine Learning · Statistics 2024-05-27 Stephen Smith , Qing Zhou