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The length and time scales of atomistic simulations are limited by the computational cost of the methods used to predict material properties. In recent years there has been great progress in the use of machine learning algorithms to develop…

Computational Physics · Physics 2022-11-03 Alberto Hernandez , Adarsh Balasubramanian , Fenglin Yuan , Simon Mason , Tim Mueller

This paper investigates the logical reasoning capabilities of large language models (LLMs). For a precisely defined yet tractable formulation, we choose the conceptually simple but technically complex task of constructing proofs in Boolean…

Machine Learning · Computer Science 2025-04-30 Yuan Xia , Akanksha Atrey , Fadoua Khmaissia , Kedar S. Namjoshi

With the wide and deep adoption of deep learning models in real applications, there is an increasing need to model and learn the representations of the neural networks themselves. These models can be used to estimate attributes of different…

Computer Vision and Pattern Recognition · Computer Science 2023-03-24 Yun Yi , Haokui Zhang , Wenze Hu , Nannan Wang , Xiaoyu Wang

Logic-based machine learning aims to learn general, interpretable knowledge in a data-efficient manner. However, labelled data must be specified in a structured logical form. To address this limitation, we propose a neural-symbolic learning…

Machine Learning · Computer Science 2023-01-06 Daniel Cunnington , Mark Law , Alessandra Russo , Jorge Lobo

Standard Transformers have a fixed computational depth, fundamentally limiting their ability to generalize to tasks requiring variable-depth reasoning, such as multi-hop graph traversal or nested logic. We propose a depth-recurrent…

Machine Learning · Computer Science 2026-03-24 Hung-Hsuan Chen

The world is fundamentally compositional, so it is natural to think of visual recognition as the recognition of basic visually primitives that are composed according to well-defined rules. This strategy allows us to recognize unseen complex…

Computer Vision and Pattern Recognition · Computer Science 2018-01-29 Rodrigo Santa Cruz , Basura Fernando , Anoop Cherian , Stephen Gould

Large language models (LLMs) encode rich semantic knowledge that can be useful for supervised learning, but their outputs are unreliable as statistical priors: they may be noisy, misspecified, or hallucinated. Existing LLM-informed learning…

Machine Learning · Statistics 2026-05-12 Erica Zhang , Naomi Sagan , Danny Tse , Fangzhao Zhang , Mert Pilanci , Jose Blanchet

How can neural networks perform so well on compositional tasks even though they lack explicit compositional representations? We use a novel analysis technique called ROLE to show that recurrent neural networks perform well on such tasks by…

Machine Learning · Computer Science 2023-02-10 Paul Soulos , Tom McCoy , Tal Linzen , Paul Smolensky

Symbolic integration is a fundamental problem in mathematics: we consider how machine learning may be used to optimise this task in a Computer Algebra System (CAS). We train transformers that predict whether a particular integration method…

Machine Learning · Computer Science 2024-11-01 Rashid Barket , Uzma Shafiq , Matthew England , Juergen Gerhard

Augmenting large language models (LLMs) with auxiliary tokens has emerged as a promising strategy for enhancing model performance. In this work, we introduce a lightweight method termed latent tokens; these are dummy tokens that may be…

Machine Learning · Computer Science 2025-05-20 Yuchang Sun , Yanxi Chen , Yaliang Li , Bolin Ding

Symbolic Regression (SR) is a powerful technique for discovering interpretable mathematical expressions. However, benchmarking SR methods remains challenging due to the diversity of algorithms, datasets, and evaluation criteria. In this…

In this article, we continue our study on universal learning machine by introducing new tools. We first discuss boolean function and boolean circuit, and we establish one set of tools, namely, fitting extremum and proper sampling set. We…

Artificial Intelligence · Computer Science 2020-01-22 Chuyu Xiong

A comprehensive representation of an image requires understanding objects and their mutual relationship, especially in image-to-graph generation, e.g., road network extraction, blood-vessel network extraction, or scene graph generation.…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Suprosanna Shit , Rajat Koner , Bastian Wittmann , Johannes Paetzold , Ivan Ezhov , Hongwei Li , Jiazhen Pan , Sahand Sharifzadeh , Georgios Kaissis , Volker Tresp , Bjoern Menze

The problem of symbolic regression (SR) arises in many different applications, such as identifying physical laws or deriving mathematical equations describing the behavior of financial markets from given data. Various methods exist to…

Artificial Intelligence · Computer Science 2025-05-07 Philipp Scholl , Katharina Bieker , Hillary Hauger , Gitta Kutyniok

We introduce the GANformer, a novel and efficient type of transformer, and explore it for the task of visual generative modeling. The network employs a bipartite structure that enables long-range interactions across the image, while…

Computer Vision and Pattern Recognition · Computer Science 2022-03-30 Drew A. Hudson , C. Lawrence Zitnick

Large language models (LLMs) have revolutionized algorithm development, yet their application in symbolic regression, where algorithms automatically discover symbolic expressions from data, remains limited. In this paper, we propose a…

Neural and Evolutionary Computing · Computer Science 2026-04-01 Hengzhe Zhang , Qi Chen , Bing Xue , Wolfgang Banzhaf , Mengjie Zhang

While Transformers have rapidly gained popularity in various computer vision applications, post-hoc explanations of their internal mechanisms remain largely unexplored. Vision Transformers extract visual information by representing image…

Computer Vision and Pattern Recognition · Computer Science 2024-03-22 Junyi Wu , Bin Duan , Weitai Kang , Hao Tang , Yan Yan

The value of unknown parameters of multibody systems is crucial for prediction, monitoring, and control, sometimes estimated using a biased physics-based model leading to incorrect outcomes. Discovering motion equations of multibody systems…

Computational Engineering, Finance, and Science · Computer Science 2022-10-24 Ehsan Askari , Guillaume Crevecoeur

We describe a neural-based method for generating exact or approximate solutions to differential equations in the form of mathematical expressions. Unlike other neural methods, our system returns symbolic expressions that can be interpreted…

Machine Learning · Computer Science 2020-11-16 Maysum Panju , Kourosh Parand , Ali Ghodsi

Transformer-based pre-trained models have gained much advance in recent years, becoming one of the most important backbones in natural language processing. Recent work shows that the attention mechanism inside Transformer may not be…

Computation and Language · Computer Science 2022-10-27 Yile Wang , Linyi Yang , Zhiyang Teng , Ming Zhou , Yue Zhang
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