25 papers · ranked by Valyu relevance
Ying Duan, Luyi Shi, Mingyang Li, Kangmin Hua + 2 more
The Flexible job-shop scheduling problem (FJSP) is a quintessential NP-hard problem in the field of production scheduling. With the development of intelligent manufacturing industry, minimizing the total completion time in workshops has become a crucial research focus. Swarm intelligence algorithms have been widely…
Ran Wang, Weiquan Huang, Junyu Wu, Chen Chen + 3 more
To address the rapid population diversity loss and premature convergence of the Artificial Lemming Algorithm (ALA) in complex optimization problems, this paper proposes an Improved Artificial Lemming Algorithm (IALA) with multi-strategy enhancements inspired by lemming behavior. First, a non-uniform mutation operator…
Shuangyuan Shi, Chang Liu, Lvjiang Yin, Hegen Xiong + 3 more
While the static integrated process planning and scheduling (IPPS) problem is theoretically well-established, its practical application is limited in unpredictable manufacturing environments demanding dynamic adaptability. This paper proposes a dynamic IPPS problem considering stochastic rework (IPPS-SR), whose…
Folea, Rares, Slusanschi, Emil-Ioan
—This paper presents a refined complexity calculus model: r-Complexity, a new asymptotic notation that offers better complexity feedback for similar programs than the traditional Bachmann-Landau notation, providing subtle insights even for algorithms that are part of the same conventional complexity class. The…
Ali Asghari, Mohammadhossein Mohammadi, Heming Jia
Metaheuristic algorithms are widely used to find optimal or near-optimal solutions for complex problems by taking inspiration from natural behaviors and processes. Although many different methods have been developed, a common problem in many of them is maintaining a good balance between exploration and exploitation and…
Zulfukar Aytac Kisman, Gokhan Demir, Hande Yuksel, Bilal Alatas + 1 more
Association rule mining is a fundamental data mining technique for uncovering latent relationships among variables in large-scale datasets. However, conventional approaches rely on single-metric filtering strategies, which are insufficient for capturing the inherent multi-criteria nature of rule quality. To address…
Authors not listed
Fragment-based drug design (FBDD) has become a key approach in structure-based drug discovery, allowing researchers to systematically develop molecular fragments into potent ligands. Although recent generative AI models, such as diffusion-based approaches, show great potential for designing new molecules, applying them…
Mohammed Alaa Ala’anzy, Nurdaulet Tolendi, Baizhan Baubek, Abdulmohsen Algarni + 1 more
Sorting can be approached in two main ways: sequentially and in parallel. In sequential sorting, data is processed in a single-threaded manner, which can be slow for large datasets. However, parallel sorting divides the task across multiple processing units, enabling faster results by processing data simultaneously.…
Maria Evangelia Vlachou, Elizabeth Thomas, Jean Blouin
In this paper, we address the problem of quantifying similarity between planar 2D shapes, which is relevant to studies of internal representations in cognitive, developmental, and neurological research. We designed a set of test shapes arranged along a visually defined perceptual similarity gradient and used them to…
Authors not listed
Quantitative Structure Activity Relationship (QSAR) remains an effective tool for early-stage chemical modelling and virtual screening in drug design. The advancements in this field are led by two core paradigms, 1) descriptor engineering, where complex fixed-length vectors of compounds are generated and conventional…
Albert Jiménez-Blanco, Lorién López-Villellas, Juan Carlos Moure, Miquel Moreto + 1 more
Sequence-to-graph alignment is a central problem in bioinformatics, with applications in multiple sequence alignment (MSA) and pangenome analysis, among others. However, current algorithms for optimal affine-gap alignment impose high memory and computational requirements, limiting their scalability to aligning long…
Ivor van der Hoog, Eva Rotenberg, Daniel Rutschmann
The element distinctness problem takes as input a list I of n values from a totally ordered universe, where pairwise comparisons between values are allowed, and the goal is to decide whether I contains any duplicates. It is a well-studied problem with a classical worst-case Ω(n log n) comparison-based lower bound by…
Mohammad Abdur Rob, Md. Zakir Hossen, Md. Kamal Hossen, Md. Mithun Ali + 2 more
Sorting algorithms play a crucial role in computing, but most are designed with rigid structure that are only efficient under certain conditions. Although some sorting algorithms perform well in some circumstances, they do not perform well on some resistant platforms. This study introduces Wall-L Merge Sort, which…
Authors not listed
The consideration of transition state (TS) conformer ensembles is required to accurately model a reaction, and thus plays a key role in computational catalyst design. While CREST and GOAT are established methods for TS conformer ensemble generation, the associated computational cost remains a major bottleneck in…
Authors not listed
Terminally labeled DNA oligonucleotides have wide applications in modern biology and biotechnological applications. It has been observed that the fluorescent intensity of light released from these fluorescent labels is heavily influenced by the terminal sequence of nucleotides. Recent studies have assayed and published…
Authors not listed
The reaction H₂ + OH → H₂O + H is fundamental to hydrogen combustion, atmospheric chemistry, and energy systems. Despite numerous experimental studies, comprehensive statistical comparison with modern uncertainty quantification has been lacking. This study presents a systematic analysis of ten independent kinetic…
Connor Weyers, N. V. Vinodchandran
We revisit the problem of rational search: given an unknown rational number α = a b ∈ (0, 1) with b ≤ n, the goal is to identify α using comparison queries of the form "β ≤ α?". The problem has been studied several decades ago and optimal query algorithms are known. We present a new algorithm for rational search based…
Ali Dasdan
Binary search is deceptively simple in concept yet notoriously difficult to implement correctly. This paper presents a unified treatment of binary search: five core variants, six derived query functions, and four standard library implementations (BSD, glibc, Java, C++ STL), each with consistent notation, loop…
Authors not listed
Finding the most stable adsorption geometry of a flexible molecule on a catalytic surface remains a key challenge due to the high dimensionality and ruggedness of the potential energy surface. We present a Gradient-Enhanced Genetic Algorithm (GE-GA) for the global optimization of adsorbate–surface configurations…
Authors not listed
The Hidden Subgroup Problem (HSP) unifies several landmark quantum algorithms, yet systematic exploration of its variants and modern applications has slowed. This paper revives HSP-based algorithm design by examining new group structures with direct relevance to post-quantum cryptography, lattice problems, and…
Ritabrata Barat, Siddharth Barman, Nirjhar Das, Sukruta Midigeshi
We study the problem of recovering the objective of a packing linear program when the algorithm accesses only comparison information about optimal solutions under varying constraint matrices. Motivated by optimization with comparison oracles (Cohen-Addad et al., STOC 2026) and preference feedback (Kaufmann et al., TMLR…
Rahul Varki, Christina Boucher
Relative Lempel–Ziv (RLZ) is an effective compression method for large, repetitive collections; however, the fundamental primitives required to elevate it from a passive archival format to a tractable representation for compressed construction have yet to be fully established. In this paper, we introduce an algorithmic…
Mindaugas Margelevičius
Structural alignment of macromolecular complexes is essential for understanding their function and evolution, yet existing methods often rely on aligning individual chains before inferring complex-level correspondences, leading to inaccuracies and inefficiencies. Here we present GTcomplex, a novel algorithm that…
Florian Ingels, Léa Vandamme, Mathilde Girard, Clément Agret + 2 more
Modern sequencing continues to drive explosive growth of nucleotide sequence archives, pushing MinHash-derived sketching methods to their practical scalability limits. State-of-the-art tools such as Mash, Dashing2, and Bindash2 provide compact sketches and accurate similarity estimates for large collections, yet…
Authors not listed
Exploring the potential energy surface to sample transition state regions is crucial to understand the atomic processes that govern chemical reactivity. Ideally, the exploration does not require any collective variables that are based on prior chemical domain knowledge. With this in mind, we adapt the stochastic saddle…