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Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…

Chemical Physics · Physics 2022-09-13 Du Luu , Konrad Patkowski

Deep learning models have achieved huge success in numerous fields, such as computer vision and natural language processing. However, unlike such fields, it is hard to apply traditional deep learning models on the graph data due to the…

Machine Learning · Computer Science 2019-10-01 Lin Meng , Jiawei Zhang

Answer set programming (ASP) is a well-established knowledge representation formalism. Most ASP solvers are based on (extensions of) technology from Boolean satisfiability solving. While these solvers have shown to be very successful in…

Logic in Computer Science · Computer Science 2020-09-23 Wolf De Wulf , Bart Bogaerts

Assessing and improving the quality of data in data-intensive systems are fundamental challenges that have given rise to numerous applications targeting transformation and cleaning of data. However, while schema design, data cleaning, and…

Databases · Computer Science 2017-12-12 Rada Chirkova , Jon Doyle , Juan L. Reutter

To be usable in practice, interactive theorem provers need to provide convenient and efficient means of writing expressions, definitions, and proofs. This involves inferring information that is often left implicit in an ordinary…

Logic in Computer Science · Computer Science 2015-12-18 Leonardo de Moura , Jeremy Avigad , Soonho Kong , Cody Roux

Artificial Neural Networks are powerful function approximators capable of modelling solutions to a wide variety of problems, both supervised and unsupervised. As their size and expressivity increases, so too does the variance of the model,…

Neural and Evolutionary Computing · Computer Science 2018-01-26 Richard Evans , Edward Grefenstette

Fine-tuning large language models is becoming ever more impractical due to their rapidly-growing scale. This motivates the use of parameter-efficient adaptation methods such as prompt tuning (PT), which adds a small number of tunable…

Computation and Language · Computer Science 2023-02-23 Simeng Sun , Yang Liu , Dan Iter , Chenguang Zhu , Mohit Iyyer

Latent Diffusion Models (LDMs) are generally trained at fixed resolutions, limiting their capability when scaling up to high-resolution images. While training-based approaches address this limitation by training on high-resolution datasets,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-30 Sangmin Han , Jinho Jeong , Jinwoo Kim , Seon Joo Kim

Code translation is a crucial process in software development and migration projects, enabling interoperability between different programming languages and enhancing software adaptability and thus longevity. Traditional automated…

Artificial Intelligence · Computer Science 2025-07-23 Shreya Saxena , Siva Prasad , Zishan Ahmad , Vishal Vaddina

The theory of asymptotic complexity provides an approach to characterizing the behavior of programs in terms of bounds on the number of computational steps executed or use of computational resources. We describe work using ACL2 to prove…

Computational Complexity · Computer Science 2022-05-25 William D. Young

Metamorphic testing seeks to verify software in the absence of test oracles. Our application domain is ocean system modeling, where test oracles rarely exist, but where symmetries of the simulated physical systems are known. The input data…

Software Engineering · Computer Science 2021-03-18 Dilip Jagadeeshwarswamy Hiremath , Martin Claus , Wilhelm Hasselbring , Willi Rath

The authors' ATR programming formalism is a version of call-by-value PCF under a complexity-theoretically motivated type system. ATR programs run in type-2 polynomial-time and all standard type-2 basic feasible functionals are ATR-definable…

Logic in Computer Science · Computer Science 2008-04-18 Norman Danner , James S. Royer

Class incremental learning(CIL) has attracted much attention, but most existing related works focus on fine-tuning the entire representation model, which inevitably results in much catastrophic forgetting. In the contrast, with a…

Computer Vision and Pattern Recognition · Computer Science 2023-02-10 Jieren Deng , Jianhua Hu , Haojian Zhang , Yunkuan Wang

Artificial Intelligence for Theorem Proving has given rise to a plethora of benchmarks and methodologies, particularly in Interactive Theorem Proving (ITP). Research in the area is fragmented, with a diverse set of approaches being spread…

Artificial Intelligence · Computer Science 2025-02-14 Sean Lamont , Michael Norrish , Amir Dezfouli , Christian Walder , Paul Montague

Tabular data is a fundamental form of data structure. The evolution of table analysis tools reflects humanity's continuous progress in data acquisition, management, and processing. The dynamic changes in table columns arise from…

Artificial Intelligence · Computer Science 2026-01-28 Xinda Chen , Zhen Xing , Hanyu Zhang , Weimin Tan , Bo Yan

There are several ways to formally represent families of data, such as lambda terms, in a type theory such as the dependent type theory of Coq. Mathematical representations are very compact ones and usually rely on the use of dependent…

Logic in Computer Science · Computer Science 2022-12-21 Catherine Dubois , Nicolas Magaud , Alain Giorgetti

The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel compounds. To enable these developments,…

Materials Science · Physics 2026-04-30 Holger-Dietrich Saßnick , Joshua Edzards , Timo Reents , Caterina Cocchi

Alias analysis, which determines whether two expressions in a program may reference to the same object, has many potential applications in program construction and verification. We have developed a theory for alias analysis, the "alias…

Programming Languages · Computer Science 2013-07-12 Alexander Kogtenkov , Bertrand Meyer , Sergey Velder

This book deals with the theory of generalized algebraic transformations, which is elaborated with the aim to provide a relatively simple theoretical tool that enables an exact treatment of diverse more complex lattice-statistical models.…

Statistical Mechanics · Physics 2010-08-13 Jozef Strecka

Despite the artificial intelligence (AI) revolution, deep learning has yet to achieve much success with tabular data due to heterogeneous feature space and limited sample sizes without viable transfer learning. The new era of generative AI,…

Machine Learning · Computer Science 2025-01-14 Shourav B. Rabbani , Ibna Kowsar , Manar D. Samad