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Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…

Chemical Physics · Physics 2025-06-11 Thang D. Pham , Aditya Tanikanti , Murat Keçeli

Researchers have relegated natural language processing tasks to Transformer-type models, particularly generative models, because these models exhibit high versatility when performing generation and classification tasks. As the size of these…

Computation and Language · Computer Science 2025-04-04 Fabio Yáñez-Romero , Andrés Montoyo , Armando Suárez , Yoan Gutiérrez , Ruslan Mitkov

Reasoning is a fundamental problem for computers and deeply studied in Artificial Intelligence. In this paper, we specifically focus on answering multi-hop logical queries on Knowledge Graphs (KGs). This is a complicated task because, in…

Artificial Intelligence · Computer Science 2022-09-30 Alfonso Amayuelas , Shuai Zhang , Susie Xi Rao , Ce Zhang

Decomposition of text into atomic propositions is a flexible framework allowing for the closer inspection of input and output text. We use atomic decomposition of hypotheses in two natural language reasoning tasks, traditional NLI and…

Computation and Language · Computer Science 2025-03-10 Neha Srikanth , Rachel Rudinger

Large language models (LLMs) have been used to generate formal proofs of mathematical theorems in proofs assistants such as Lean. However, we often want to optimize a formal proof with respect to various criteria, depending on its…

Artificial Intelligence · Computer Science 2026-05-22 Riyaz Ahuja , Jeremy Avigad , Prasad Tetali , Sean Welleck

The Axiom-Based Atlas is a novel framework that structurally represents mathematical theorems as proof vectors over foundational axiom systems. By mapping the logical dependencies of theorems onto vectors indexed by axioms - such as those…

Artificial Intelligence · Computer Science 2025-04-02 Harim Yoo

Proof engineering is notoriously labor-intensive: proofs that are straightforward on paper often require lengthy scripts in theorem provers. Recent advances in large language models (LLMs) create new opportunities for proof automation:…

Programming Languages · Computer Science 2026-01-08 Yichen Xu , Martin Odersky

We report about significant enhancements of the complex algebraic geometry theorem proving subsystem in GeoGebra for automated proofs in Euclidean geometry, concerning the extension of numerous GeoGebra tools with proof capabilities. As a…

Artificial Intelligence · Computer Science 2016-03-04 Zoltán Kovács , Csilla Sólyom-Gecse

Molecular graphs generally contain subgraphs (known as groups) that are identifiable and significant in composition, functionality, geometry, etc. Flat latent representations (node embeddings or graph embeddings) fail to represent, and…

Machine Learning · Computer Science 2019-04-05 Daniel T. Chang

The use of a functional language to implement proof strategies as proof tactics in interactive theorem provers, often provides short, concise and elegant implementations. Whilst being elegant, the use of higher order features and combinator…

Logic in Computer Science · Computer Science 2016-12-16 Yuhui Lin , Gudmund Grov , Rob Arthan

Humans can develop new theorems to explore broader and more complex mathematical results. While current generative language models (LMs) have achieved significant improvement in automatically proving theorems, their ability to generate new…

Computation and Language · Computer Science 2024-05-14 Xiaohan Lin , Qingxing Cao , Yinya Huang , Zhicheng Yang , Zhengying Liu , Zhenguo Li , Xiaodan Liang

Despite the success of large language models (LLMs), the task of theorem proving still remains one of the hardest reasoning tasks that is far from being fully solved. Prior methods using language models have demonstrated promising results,…

Large language models (LLMs) have demonstrated impressive capabilities in natural language understanding and generation, including multi-step reasoning such as mathematical proving. However, existing approaches often lack an explicit and…

Computation and Language · Computer Science 2026-05-19 Yutong Li , Yitian Zhou , Xudong Wang , GuoChen , Caiyan Qin

Justification theory is a unifying framework for semantics of non-monotonic logics. It is built on the notion of a justification, which intuitively is a graph that explains the truth value of certain facts in a structure. Knowledge…

Logic in Computer Science · Computer Science 2019-05-16 Simon Marynissen

Recent work by Clark et al. (2020) shows that transformers can act as 'soft theorem provers' by answering questions over explicitly provided knowledge in natural language. In our work, we take a step closer to emulating formal theorem…

Computation and Language · Computer Science 2020-10-07 Swarnadeep Saha , Sayan Ghosh , Shashank Srivastava , Mohit Bansal

We use automated theorem provers to significantly shorten a formal development in higher order set theory. The development includes many standard theorems such as the fundamental theorem of arithmetic and irrationality of square root of…

Logic in Computer Science · Computer Science 2025-09-11 Chad E. Brown , Cezary Kaliszyk , Martin Suda , Josef Urban

Graphs are widely used for modeling relational data in real-world scenarios, such as social networks and urban computing. Existing LLM-based graph analysis approaches either integrate graph neural networks (GNNs) for specific machine…

Artificial Intelligence · Computer Science 2025-11-04 Xin Li , Qizhi Chu , Yubin Chen , Yang Liu , Yaoqi Liu , Zekai Yu , Weize Chen , Chen Qian , Chuan Shi , Cheng Yang

The vast corpus of physics equations forms an implicit network of mathematical relationships that traditional analysis cannot fully explore. This work introduces a graph-based framework combining neural networks with symbolic analysis to…

Machine Learning · Computer Science 2025-08-15 Massimiliano Romiti

Graph neural networks (GNNs) have been successfully applied in many structured data domains, with applications ranging from molecular property prediction to the analysis of social networks. Motivated by the broad applicability of GNNs, we…

Machine Learning · Computer Science 2021-10-12 Clemens Damke , Eyke Hüllermeier

This paper describes a procedure that system developers can follow to translate typical mathematical representations of linearized control systems into logic theories. These theories are then used to verify system requirements and find…

Logic in Computer Science · Computer Science 2021-08-09 Andrea Domenici , Cinzia Bernardeschi