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The inference of gene regulatory networks (GRNs) is a foundational stride towards deciphering the fundamentals of complex biological systems. Inferring a possible regulatory link between two genes can be formulated as a link prediction…

Machine Learning · Computer Science 2025-04-25 Binon Teji , Swarup Roy

Scattering transforms are non-trainable deep convolutional architectures that exploit the multi-scale resolution of a wavelet filter bank to obtain an appropriate representation of data. More importantly, they are proven invariant to…

Machine Learning · Computer Science 2019-06-13 Fernando Gama , Joan Bruna , Alejandro Ribeiro

Estimating path loss for a transmitter-receiver location is key to many use-cases including network planning and handover. Machine learning has become a popular tool to predict wireless channel properties based on map data. In this work, we…

Real-world scenarios demand reasoning about process, more than final outcome prediction, to discover latent causal chains and better understand complex systems. It requires the learning algorithms to offer both accurate predictions and…

Artificial Intelligence · Computer Science 2019-01-09 Xiaoran Xu , Songpeng Zu , Chengliang Gao , Yuan Zhang , Wei Feng

Uncovering hidden graph structures underlying real-world data is a critical challenge with broad applications across scientific domains. Recently, transformer-based models leveraging the attention mechanism have demonstrated strong…

Machine Learning · Computer Science 2025-10-31 Yuan Cheng , Yu Huang , Zhe Xiong , Yingbin Liang , Vincent Y. F. Tan

Transductions are a general formalism for expressing transformations of graphs (and more generally, of relational structures) in logic. We prove that a graph class $\mathscr{C}$ can be $\mathsf{FO}$-transduced from a class of bounded-height…

Combinatorics · Mathematics 2022-04-01 Michał Pilipczuk , Patrice Ossona de Mendez , Sebastian Siebertz

Can transformers generalize efficiently on problems that require dealing with examples with different levels of difficulty? We introduce a new task tailored to assess generalization over different complexities and present results that…

Transition-based and graph-based dependency parsers have previously been shown to have complementary strengths and weaknesses: transition-based parsers exploit rich structural features but suffer from error propagation, while graph-based…

Computation and Language · Computer Science 2019-08-28 Artur Kulmizev , Miryam de Lhoneux , Johannes Gontrum , Elena Fano , Joakim Nivre

Language models are increasingly capable, yet still fail at a seemingly simple task of multi-digit multiplication. In this work, we study why, by reverse-engineering a model that successfully learns multiplication via \emph{implicit…

Machine Learning · Computer Science 2025-10-02 Xiaoyan Bai , Itamar Pres , Yuntian Deng , Chenhao Tan , Stuart Shieber , Fernanda Viégas , Martin Wattenberg , Andrew Lee

Node embedding is the task of extracting informative and descriptive features over the nodes of a graph. The importance of node embeddings for graph analytics, as well as learning tasks such as node classification, link prediction and…

Machine Learning · Computer Science 2019-06-17 Dimitris Berberidis , Georgios B. Giannakis

Modern deep neural networks display striking examples of rich internal computational structure. Uncovering principles governing the development of such structure is a priority for the science of deep learning. In this paper, we explore the…

Machine Learning · Computer Science 2025-02-03 Liam Carroll , Jesse Hoogland , Matthew Farrugia-Roberts , Daniel Murfet

A temporal graph can be considered as a stream of links, each of which represents an interaction between two nodes at a certain time. On temporal graphs, link prediction is a common task, which aims to answer whether the query link is true…

Artificial Intelligence · Computer Science 2024-02-13 Bingqing Liu , Xikun Huang

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions,…

Machine Learning · Computer Science 2025-11-18 Jeongwhan Choi , Seungjun Park , Sumin Park , Sung-Bae Cho , Noseong Park

The extraction of a scene graph with objects as nodes and mutual relationships as edges is the basis for a deep understanding of image content. Despite recent advances, such as message passing and joint classification, the detection of…

Computer Vision and Pattern Recognition · Computer Science 2021-07-22 Rajat Koner , Suprosanna Shit , Volker Tresp

Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short…

Artificial Intelligence · Computer Science 2025-05-06 Zhong Guan , Likang Wu , Hongke Zhao , Ming He , Jianpin Fan

Transformers achieve state-of-the-art accuracy and robustness across many tasks, but an understanding of their inductive biases and how those biases differ from other neural network architectures remains elusive. In this work, we identify…

Machine Learning · Computer Science 2025-02-14 Bhavya Vasudeva , Deqing Fu , Tianyi Zhou , Elliott Kau , Youqi Huang , Vatsal Sharan

Transformers are the dominant architecture in AI, yet why they work remains poorly understood. This paper offers a precise answer: a transformer is a Bayesian network. We establish this in five ways. First, we prove that every sigmoid…

Artificial Intelligence · Computer Science 2026-03-19 Gregory Coppola

Transformers often appear to perform Bayesian reasoning in context, but verifying this rigorously has been impossible: natural data lack analytic posteriors, and large models conflate reasoning with memorization. We address this by…

Machine Learning · Computer Science 2026-05-19 Naman Agarwal , Siddhartha R. Dalal , Vishal Misra

There is a growing interest in the ability of neural networks to execute algorithmic tasks (e.g., arithmetic, summary statistics, and sorting). The goal of this work is to better understand the role of attention in Transformers for…

Machine Learning · Computer Science 2025-06-11 Artur Back de Luca , George Giapitzakis , Shenghao Yang , Petar Veličković , Kimon Fountoulakis

Inferring temporal interaction graphs and higher-order structure from neural signals is a key problem in building generative models for systems neuroscience. Foundation models for large-scale neural data represent shared latent structures…

Machine Learning · Computer Science 2025-08-26 Nathan X. Kodama , Kenneth A. Loparo