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Efficient catalyst screening necessitates predictive models for adsorption energy, a key property of reactivity. However, prevailing methods, notably graph neural networks (GNNs), demand precise atomic coordinates for constructing graph…

Computational Engineering, Finance, and Science · Computer Science 2023-09-04 Janghoon Ock , Chakradhar Guntuboina , Amir Barati Farimani

Designing algorithms for space bounded models with restoration requirements on the space used by the algorithm is an important challenge posed about the catalytic computation model introduced by Buhrman et al. (2014). Motivated by the…

Computational Complexity · Computer Science 2024-11-25 Sagar Bisoyi , Krishnamoorthy Dinesh , Bhabya Deep Rai , Jayalal Sarma

Many Program Verification and Synthesis problems of interest can be modeled directly using Horn clauses and many recent advances in the CLP and CAV communities have centered around efficiently solving problems presented as Horn clauses. The…

Logic in Computer Science · Computer Science 2018-09-13 Temesghen Kahsai , German Vidal

It is well known that different solution strategies work well for different types of instances of hard combinatorial problems. As a consequence, most solvers for the propositional satisfiability problem (SAT) expose parameters that allow…

Artificial Intelligence · Computer Science 2016-08-03 Frank Hutter , Marius Lindauer , Adrian Balint , Sam Bayless , Holger Hoos , Kevin Leyton-Brown

We introduce a new algorithm and software for solving linear equations in symmetric diagonally dominant matrices with non-positive off-diagonal entries (SDDM matrices), including Laplacian matrices. We use pre-conditioned conjugate gradient…

Numerical Analysis · Mathematics 2023-06-16 Yuan Gao , Rasmus Kyng , Daniel A. Spielman

Continual Test-Time Adaptation (CTTA) is an emerging and challenging task where a model trained in a source domain must adapt to continuously changing conditions during testing, without access to the original source data. CTTA is prone to…

Machine Learning · Computer Science 2024-05-29 Ziqi Shi , Fan Lyu , Ye Liu , Fanhua Shang , Fuyuan Hu , Wei Feng , Zhang Zhang , Liang Wang

Recently, there has been a trend to combine independent component analysis and canonical polyadic decomposition (ICA-CPD) for an enhanced robustness for the computation of CPD, and ICA-CPD could be further converted into CPD of a 5th-order…

Machine Learning · Statistics 2016-12-30 Xiao-Feng Gong , Cheng-Yuan Wang , Ya-Na Hao , Qiu-Hua Lin

A new algorithm for deciding the satisfiability of polynomial formulas over the reals is proposed. The key point of the algorithm is a new projection operator, called sample-cell projection operator, custom-made for Conflict-Driven Clause…

Logic in Computer Science · Computer Science 2020-03-05 Haokun Li , Bican Xia

Modern conflict-driven clause-learning (CDCL) Boolean SAT solvers provide efficient automatic analysis of real-world feature models (FM) of systems ranging from cars to operating systems. It is well-known that solver-based analysis of…

Software Engineering · Computer Science 2015-07-30 Jia Hui Liang , Vijay Ganesh , Venkatesh Raman , Krzysztof Czarnecki

We develop a sound, complete and practically implementable tableaux-based decision method for constructive satisfiability testing and model synthesis in the fragment ATL+ of the full Alternating time temporal logic ATL*. The method extends…

Logic in Computer Science · Computer Science 2015-05-28 Serenella Cerrito , Amélie David , Valentin Goranko

We introduce ALT, an open-source Python package created for efficient and accurate time series classification (TSC). The package implements the adaptive law-based transformation (ALT) algorithm, which transforms raw time series data into a…

Machine Learning · Computer Science 2026-02-06 Balázs P. Halmos , Balázs Hajós , Vince Á. Molnár , Marcell T. Kurbucz , Antal Jakovác

The challenge of formal proof generation has a rich history, but with modern techniques, we may finally be at the stage of making actual progress in real-life mathematical problems. This paper explores the integration of ChatGPT and basic…

Logic in Computer Science · Computer Science 2025-02-20 Sangjun Han , Taeil Hur , Youngmi Hur , Kathy Sangkyung Lee , Myungyoon Lee , Hyojae Lim

Synthetic data serves as an alternative in training machine learning models, particularly when real-world data is limited or inaccessible. However, ensuring that synthetic data mirrors the complex nuances of real-world data is a challenging…

Machine Learning · Computer Science 2023-10-27 Lasse Hansen , Nabeel Seedat , Mihaela van der Schaar , Andrija Petrovic

We propose an algorithm for detecting patterns exhibited by anomalous clusters in high dimensional discrete data. Unlike most anomaly detection (AD) methods, which detect individual anomalies, our proposed method detects groups (clusters)…

Machine Learning · Statistics 2016-05-23 Hossein Soleimani , David J. Miller

CHC-COMP-20 is the third competition of solvers for Constrained Horn Clauses. In this year, 9 solvers participated at the competition, and were evaluated in four separate tracks on problems in linear integer arithmetic, linear real…

Logic in Computer Science · Computer Science 2020-08-10 Philipp Rümmer

This thesis investigates the central role of homomorphism problems (structure-preserving maps) in two complementary domains: database querying over finite, graph-shaped data, and constraint solving over (potentially infinite) structures.…

Logic in Computer Science · Computer Science 2025-10-10 Rémi Morvan

Automated program verification is a difficult problem. It is undecidable even for transition systems over Linear Integer Arithmetic (LIA). Extending the transition system with theory of Arrays, further complicates the problem by requiring…

Logic in Computer Science · Computer Science 2021-06-02 Arie Gurfinkel , Sharon Shoham , Yakir Vizel

With the recently increased interest in probabilistic models, the efficiency of an underlying sampler becomes a crucial consideration. Hamiltonian Monte Carlo (HMC) is one popular option for models of this kind. Performance of the method,…

We propose a new parameter called proofdoor in an attempt to explain the efficiency of CDCL SAT solvers over formulas derived from circuit (esp., arithmetic) verification applications. Informally, given an unsatisfiable CNF formula F over n…

Computational Complexity · Computer Science 2026-03-30 Sunidhi Singh , Vincent Liew , Marc Vinyals , Vijay Ganesh

The transmission-constrained unit commitment (TC-UC) problem is one of the most relevant problems solved by independent system operators for the daily operation of power systems. Given its computational complexity, this problem is usually…

Optimization and Control · Mathematics 2020-01-27 Salvador Pineda , Juan Miguel Morales , Asunción Jiménez-Cordero