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Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Knowledge graph reasoning plays a vital role in various applications and has garnered considerable attention. Recently, path-based methods have achieved impressive performance. However, they may face limitations stemming from constraints in…

Artificial Intelligence · Computer Science 2024-12-18 Junnan Liu , Qianren Mao , Weifeng Jiang , Jianxin Li

Large language models exhibit sophisticated capabilities, yet understanding how they work internally remains a central challenge. A fundamental obstacle is that training selects for behavior, not circuitry, so many weight configurations can…

Machine Learning · Computer Science 2026-02-27 Joshua S. Schiffman

Transformers and more specifically decoder-only transformers dominate modern LLM architectures. While they have shown to work exceptionally well, they are not without issues, resulting in surprising failure modes and predictably asymmetric…

Machine Learning · Computer Science 2025-12-11 Hunjae Lee

The remarkable capability of Transformers to do reasoning and few-shot learning, without any fine-tuning, is widely conjectured to stem from their ability to implicitly simulate a multi-step algorithms -- such as gradient descent -- with…

Machine Learning · Computer Science 2024-10-14 Khashayar Gatmiry , Nikunj Saunshi , Sashank J. Reddi , Stefanie Jegelka , Sanjiv Kumar

Transformers excel at discovering patterns in sequential data, yet their fundamental limitations and learning mechanisms remain crucial topics of investigation. In this paper, we study the ability of Transformers to learn pseudo-random…

Machine Learning · Computer Science 2025-07-10 Tao Tao , Darshil Doshi , Dayal Singh Kalra , Tianyu He , Maissam Barkeshli

Transformers have become pivotal in Natural Language Processing, demonstrating remarkable success in applications like Machine Translation and Summarization. Given their widespread adoption, several works have attempted to analyze the…

Machine Learning · Computer Science 2024-09-02 Swaroop Nath , Harshad Khadilkar , Pushpak Bhattacharyya

We study whether transformers can learn to implicitly reason over parametric knowledge, a skill that even the most capable language models struggle with. Focusing on two representative reasoning types, composition and comparison, we…

Computation and Language · Computer Science 2024-11-01 Boshi Wang , Xiang Yue , Yu Su , Huan Sun

How do LLMs learn in-context? Is it by pattern-matching recent tokens, or by inferring latent structure? We probe this question using a toy graph random-walk across two competing graph structures. This task's answer is, in principle,…

Artificial Intelligence · Computer Science 2026-05-12 Katharine Kowalyshyn , Timothy Duggan , Daniel Little , Michael C Hughes

Many optimization, inference and learning tasks can be accomplished efficiently by means of decentralized processing algorithms where the network topology (i.e., the graph) plays a critical role in enabling the interactions among…

Multiagent Systems · Computer Science 2020-08-06 Vincenzo Matta , Augusto Santos , Ali H. Sayed

We investigate graph representation learning approaches that enable models to generalize across graphs: given a model trained using the representations from one graph, our goal is to apply inference using those same model parameters when…

Machine Learning · Computer Science 2023-02-20 Anton Amirov , Chris Quirk , Jennifer Neville

Transformers have achieved great success across a wide range of applications, yet the theoretical foundations underlying their success remain largely unexplored. To demystify the strong capacities of transformers applied to versatile…

Machine Learning · Computer Science 2026-03-25 Chenyang Zhang , Qingyue Zhao , Quanquan Gu , Yuan Cao

Transformer networks are the de facto standard architecture in natural language processing. To date, there are no theoretical analyses of the Transformer's ability to capture tree structures. We focus on the ability of Transformer networks…

Computation and Language · Computer Science 2021-12-23 Qi He , João Sedoc , Jordan Rodu

Trajectory planning in autonomous driving is highly dependent on predicting the emergent behavior of other road users. Learning-based methods are currently showing impressive results in simulation-based challenges, with transformer-based…

Machine Learning · Computer Science 2024-08-08 Lars Ullrich , Alex McMaster , Knut Graichen

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to…

Machine Learning · Computer Science 2022-02-18 Erxue Min , Runfa Chen , Yatao Bian , Tingyang Xu , Kangfei Zhao , Wenbing Huang , Peilin Zhao , Junzhou Huang , Sophia Ananiadou , Yu Rong

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

Machine Learning · Computer Science 2025-06-18 Ziyuan Tang , Jie Chen

Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding…

Analogy is a central faculty of human intelligence, enabling abstract patterns discovered in one domain to be applied to another. Despite its central role in cognition, the mechanisms by which Transformers acquire and implement analogical…

Artificial Intelligence · Computer Science 2026-05-28 Gouki Minegishi , Jingyuan Feng , Hiroki Furuta , Takeshi Kojima , Yusuke Iwasawa , Yutaka Matsuo

Trained transformer models have been found to implement interpretable procedures for tasks like arithmetic and associative recall, but little is understood about how the circuits that implement these procedures originate during training. To…

Machine Learning · Computer Science 2024-10-08 Ziqian Zhong , Jacob Andreas

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs…

Machine Learning · Computer Science 2025-10-03 Tobias Kreiman , Yutong Bai , Fadi Atieh , Elizabeth Weaver , Eric Qu , Aditi S. Krishnapriyan
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