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In this contribution, we demonstrate that Graph Neural Networks and Transformers can learn to reason about geometric constraints. We train them to predict spatial position of points in a discrete 2D grid from a set of constraints that…

Machine Learning · Computer Science 2026-03-03 Jan Hůla , David Mojžíšek , Jiří Janeček , David Herel , Mikoláš Janota

Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial for Graph Transformers, and previous works incorporate them using message-passing modules and/or…

Machine Learning · Computer Science 2023-08-22 Liheng Ma , Chen Lin , Derek Lim , Adriana Romero-Soriano , Puneet K. Dokania , Mark Coates , Philip Torr , Ser-Nam Lim

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Martina G. Vilas , Timothy Schaumlöffel , Gemma Roig

Chain of Thought (CoT) prompting has been shown to significantly improve the performance of large language models (LLMs), particularly in arithmetic and reasoning tasks, by instructing the model to produce intermediate reasoning steps.…

Machine Learning · Computer Science 2025-03-03 Jianhao Huang , Zixuan Wang , Jason D. Lee

Parameterized quantum circuits play an essential role in the performance of many variational hybrid quantum-classical (HQC) algorithms. One challenge in implementing such algorithms is to choose an effective circuit that well represents the…

Quantum Physics · Physics 2020-01-15 Sukin Sim , Peter D. Johnson , Alan Aspuru-Guzik

Transformers have significantly advanced the field of natural language processing, but comprehending their internal mechanisms remains a challenge. In this paper, we introduce a novel geometric perspective that elucidates the inner…

Computation and Language · Computer Science 2023-09-20 Raul Molina

A method is presented for accelerating inference in transformer language models by exploiting the low effective rank of the token activation manifold at each layer. The method decomposes each activation vector into a subspace component and…

Machine Learning · Computer Science 2026-05-06 Stephen J. Thomas

High-performance machine learning tools in particle physics rest on two complementary directions: encoding symmetries explicitly in the architecture, and implicitly learning the structure of the data through large-scale (pre-) training. We…

High Energy Physics - Phenomenology · Physics 2026-03-23 Victor Breso-Pla , Kevin Greif , Vinicius Mikuni , Benjamin Nachman , Tilman Plehn , Tanvi Wamorkar , Daniel Whiteson

Modern distributed networks, notably transformers, acquire a remarkable ability (termed `in-context learning') to adapt their computation to input statistics, such that a fixed network can be applied to data from a broad range of systems.…

Machine Learning · Computer Science 2026-04-15 Cole Gibson , Wenping Cui , Gautam Reddy

We examine a situation in which an information-carrying signal is sent from two sources to a common receiver. The radiation travels through free space in the presence of noise. The information resides in a relationship between the two…

Quantum Physics · Physics 2007-05-23 Walter Simmons , Sandip Pakvasa

How can Transformers model and learn enumerative geometry? What is a robust procedure for using Transformers in abductive knowledge discovery within a mathematician-machine collaboration? In this work, we introduce a Transformer-based…

Machine Learning · Computer Science 2025-06-06 Baran Hashemi , Roderic G. Corominas , Alessandro Giacchetto

The goal of graph inference is to design algorithms for learning properties of a hidden graph using queries to an oracle that returns information about the graph. Graph reconstruction, verification, and property testing are all types of…

Data Structures and Algorithms · Computer Science 2025-02-26 Huck Bennett , Mitchell Black , Amir Nayyeri , Evelyn Warton

In many animal sensory pathways, the transformation from external stimuli to spike trains is essentially deterministic. In this context, a new mathematical framework for coding and reconstruction, based on a biologically plausible model of…

Neurons and Cognition · Quantitative Biology 2019-08-01 Anik Chattopadhyay , Arunava Banerjee

The current generation of quantum computing technologies call for quantum algorithms that require a limited number of qubits and quantum gates, and which are robust against errors. A suitable design approach are variational circuits where…

Quantum Physics · Physics 2020-04-10 Maria Schuld , Alex Bocharov , Krysta Svore , Nathan Wiebe

Every mechanistic circuit carries an invisible asterisk: it reflects not just the model's computation, but the analyst's choice of pruning threshold. Change that choice and the circuit changes, yet current practice treats a single pruned…

Computation and Language · Computer Science 2026-03-23 Swapnil Parekh

Modern large language models (LLMs) excel at tasks that require storing and retrieving knowledge, such as factual recall and question answering. Transformers are central to this capability because they can encode information during training…

Machine Learning · Statistics 2026-03-18 Nuri Mert Vural , Alberto Bietti , Mahdi Soltanolkotabi , Denny Wu

Transformers generate valid and diverse chemical structures, but little is known about the mechanisms that enable these models to capture the rules of molecular representation. We present a mechanistic analysis of autoregressive…

Machine Learning · Computer Science 2025-12-11 Kristof Varadi , Mark Marosi , Peter Antal

As state-of-the-art neural networks are deployed on reasoning and algorithmic tasks, exactness guarantees become increasingly important. However, high average-case accuracy can still mask inconsistent behaviors. This motivates exact…

Machine Learning · Computer Science 2026-05-25 Artur Back de Luca , Kimon Fountoulakis

Conformal Autoencoders are a neural network architecture that imposes orthogonality conditions between the gradients of latent variables to obtain disentangled representations of data. In this work we show that orthogonality relations…

Machine Learning · Computer Science 2025-07-14 George A. Kevrekidis , Zan Ahmad , Mauro Maggioni , Soledad Villar , Yannis G. Kevrekidis

This paper proposes a theoretical framework on the mechanism of autoencoders. To the encoder part, under the main use of dimensionality reduction, we investigate its two fundamental properties: bijective maps and data disentangling. The…

Machine Learning · Computer Science 2022-12-13 Changcun Huang
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