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While transformers have proven enormously successful in a range of tasks, their fundamental properties as models of computation are not well understood. This paper contributes to the study of the expressive capacity of transformers,…

Machine Learning · Computer Science 2025-03-31 Lena Strobl , Dana Angluin , Robert Frank

Transformers, especially the decoder-only variants, are the backbone of most modern large language models; yet we do not have much understanding of their expressive power except for the simple $1$-layer case. Due to the difficulty of…

Machine Learning · Computer Science 2024-12-05 Lijie Chen , Binghui Peng , Hongxun Wu

Understanding what neural architectures can and cannot compute is a central challenge in the theory of AI. One of the fundamental problems in this context is the PARITY task, which asks whether the number of 1s in a binary input sequence is…

Machine Learning · Computer Science 2026-05-08 Alexander Kozachinskiy , Tomasz Steifer , Przemysław Wałȩga

In this paper, I introduce the retrieval problem, a simple yet common reasoning task that can be solved only by transformers with a minimum number of layers, which grows logarithmically with the input size. I empirically show that large…

Machine Learning · Computer Science 2025-10-29 Tiberiu Musat

Search is an ability foundational in many important tasks, and recent studies have shown that large language models (LLMs) struggle to perform search robustly. It is unknown whether this inability is due to a lack of data, insufficient…

We study the capabilities of the transformer architecture with varying depth. Specifically, we designed a novel set of sequence learning tasks to systematically evaluate and comprehend how the depth of transformer affects its ability to…

Machine Learning · Computer Science 2024-04-03 Xingwu Chen , Difan Zou

Transformer large language models (LLMs) have sparked admiration for their exceptional performance on tasks that demand intricate multi-step reasoning. Yet, these models simultaneously show failures on surprisingly trivial problems. This…

The quadratic complexity of self-attention prevents transformers from scaling effectively to long input sequences. On the other hand, modern GPUs and other specialized hardware accelerators are well-optimized for processing small input…

Machine Learning · Computer Science 2025-06-23 Hantao Yu , Josh Alman

Transformer-based large language models have achieved remarkable performance across various natural language processing tasks. However, they often struggle with seemingly easy tasks like arithmetic despite their vast capabilities. This…

Computation and Language · Computer Science 2024-07-23 Luyu Qiu , Jianing Li , Chi Su , Chen Jason Zhang , Lei Chen

Recent theoretical results show transformers cannot express sequential reasoning problems over long inputs, intuitively because their computational depth is bounded. However, prior work treats the depth as a constant, leaving it unclear to…

Machine Learning · Computer Science 2025-11-07 William Merrill , Ashish Sabharwal

The transformer architecture is widely used in machine learning models and consists of two alternating sublayers: attention heads and MLPs. We prove that an MLP neuron can be implemented by a masked attention head with internal dimension 1…

Machine Learning · Computer Science 2023-09-18 Robert Huben , Valerie Morris

Reasoning capability is essential to ensure the factual correctness of the responses of transformer-based Large Language Models (LLMs), and robust reasoning about transitive relations is instrumental in many settings, such as causal…

Computation and Language · Computer Science 2026-04-23 Amit Roy , Abulhair Saparov

This note shows that no self-attention layer post-processed by a rational function can sign-represent the parity function unless the product of the number of heads and the degree of the post-processing function grows linearly with the input…

Machine Learning · Computer Science 2026-05-13 Daniel Hsu

Attention layers, as commonly used in transformers, form the backbone of modern deep learning, yet there is no mathematical description of their benefits and deficiencies as compared with other architectures. In this work we establish both…

Machine Learning · Computer Science 2023-11-17 Clayton Sanford , Daniel Hsu , Matus Telgarsky

Do transformers, when trained on sequential reasoning traces, build internal models of the underlying task? And if so, does the structure of those internal representations mirror the structure of the domain? We train an 8-layer transformer…

Machine Learning · Computer Science 2026-05-20 Roman Kniazev , Nathanaël Fijalkow

Empirical studies have identified a range of learnability biases and limitations of transformers, such as a persistent difficulty in learning to compute simple formal languages such as PARITY, and a bias towards low-degree functions.…

Machine Learning · Computer Science 2024-05-28 Michael Hahn , Mark Rofin

Despite their nearly universal adoption for large language models, the internal workings of transformers are not well understood. We aim to better understand the impact of removing or reorganizing information throughout the layers of a…

Computation and Language · Computer Science 2025-02-14 Qi Sun , Marc Pickett , Aakash Kumar Nain , Llion Jones

The transformer has revolutionized modern AI across language, vision, and beyond. It consists of $L$ layers, each running $H$ attention heads in parallel and feeding the combined output to the subsequent layer. In attention, the input…

Computational Complexity · Computer Science 2026-03-13 Barna Saha , Yinzhan Xu , Christopher Ye , Hantao Yu

Transformers often fail to learn generalizable algorithms, instead relying on brittle heuristics. Using graph connectivity as a testbed, we explain this phenomenon both theoretically and empirically. We consider a simplified Transformer…

Machine Learning · Computer Science 2026-02-19 Qilin Ye , Deqing Fu , Robin Jia , Vatsal Sharan

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
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