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Large Language Models (LLMs) have shown notable potential in code generation for optimization algorithms, unlocking exciting new opportunities. This paper examines how LLMs, rather than creating algorithms from scratch, can improve existing…

Artificial Intelligence · Computer Science 2025-07-22 Camilo Chacón Sartori , Christian Blum

Scientific discovery increasingly depends on efficient experimental optimization to navigate vast design spaces under time and resource constraints. Traditional approaches often require extensive domain expertise and feature engineering.…

Machine Learning · Computer Science 2025-11-10 Bojana Ranković , Ryan-Rhys Griffiths , Philippe Schwaller

In this article, we evaluate four Large Language Models (LLMs) and their effectiveness at retrieving data within a specialized Retrieval-Augmented Generation (RAG) system, using a comprehensive food composition database. Our method is…

Computation and Language · Computer Science 2026-03-12 Maks Požarnik Vavken , Matevž Ogrinc , Tome Eftimov , Barbara Koroušić Seljak

Large Language Models (LLMs) have recently advanced many applications on software engineering tasks, particularly the potential for code generation. Among contemporary challenges, code generated by LLMs often suffers from inaccuracies and…

Software Engineering · Computer Science 2024-08-29 Thai Tang Quoc , Duc Ha Minh , Tho Quan Thanh , Anh Nguyen-Duc

Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for…

Machine Learning · Computer Science 2025-02-19 Jiayuan Liu , Mingyu Guo , Vincent Conitzer

Data generation and analysis is a fundamental aspect of many industries and disciplines, from strategic decision making in business to research in the physical and social sciences. However, data generated using software and algorithms can…

Software Engineering · Computer Science 2023-10-19 Ernesto Giralt Hernández

We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods…

Machine Learning · Computer Science 2024-12-11 Arya Grayeli , Atharva Sehgal , Omar Costilla-Reyes , Miles Cranmer , Swarat Chaudhuri

While large language models (LLMs) have demonstrated remarkable reasoning capabilities, they often struggle with complex tasks that require specific thinking paradigms, such as divide-and-conquer and procedural deduction, \etc Previous…

Software Engineering · Computer Science 2025-06-05 Kechi Zhang , Ge Li , Jia Li , Huangzhao Zhang , Jingjing Xu , Hao Zhu , Lecheng Wang , Jia Li , Yihong Dong , Jing Mai , Bin Gu , Zhi Jin

Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-09 Mario Sänger , Ninon De Mecquenem , Katarzyna Ewa Lewińska , Vasilis Bountris , Fabian Lehmann , Ulf Leser , Thomas Kosch

Large language models (LLMs) are powerful tools that have found applications beyond human-machine interfaces and chatbots. In particular, their ability to generate reasoning traces motivated their use in many prediction tasks like math…

Computation and Language · Computer Science 2026-03-03 Ayoub Hammal , Pierre Zweigenbaum , Caio Corro

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

The rapid advancement of Large Language Models (LLMs) in the realm of mathematical reasoning necessitates comprehensive evaluations to gauge progress and inspire future directions. Existing assessments predominantly focus on problem-solving…

Computation and Language · Computer Science 2024-06-05 Xiaoyuan Li , Wenjie Wang , Moxin Li , Junrong Guo , Yang Zhang , Fuli Feng

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

We introduce Kalman Gradient Descent, a stochastic optimization algorithm that uses Kalman filtering to adaptively reduce gradient variance in stochastic gradient descent by filtering the gradient estimates. We present both a theoretical…

Machine Learning · Statistics 2018-10-30 James Vuckovic

Despite the revolution caused by deep NLP models, they remain black boxes, necessitating research to understand their decision-making processes. A recent work by Dalvi et al. (2022) carried out representation analysis through the lens of…

Computation and Language · Computer Science 2024-02-02 Majd Hawasly , Fahim Dalvi , Nadir Durrani

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the…

Machine Learning · Computer Science 2025-03-21 Parshin Shojaee , Kazem Meidani , Shashank Gupta , Amir Barati Farimani , Chandan K Reddy

Machine Learning produces efficient decision and prediction models based on input-output data only. Such models have the form of decision trees or neural nets and are far from transparent analytical models, based on mathematical formulas.…

Artificial Intelligence · Computer Science 2025-05-20 Jakub Skrzyński , Dominik Sepioło , Antoni Ligęza

To perform effective causal inference in high-dimensional datasets, initiating the process with causal discovery is imperative, wherein a causal graph is generated based on observational data. However, obtaining a complete and accurate…

Machine Learning · Computer Science 2025-04-18 Elahe Khatibi , Mahyar Abbasian , Zhongqi Yang , Iman Azimi , Amir M. Rahmani

Among the evolutionary methods, one that is quite prominent is Genetic Programming, and, in recent years, a variant called Geometric Semantic Genetic Programming (GSGP) has shown to be successfully applicable to many real-world problems.…

Neural and Evolutionary Computing · Computer Science 2022-05-06 Mauro Castelli , Luca Manzoni , Luca Mariot , Giuliamaria Menara , Gloria Pietropolli

A default theory can be characterized by its sets of plausible conclusions, called its extensions. But, due to the theoretical complexity of Default Logic (Sigma_2p-complete), the problem of finding such an extension is very difficult if…

Artificial Intelligence · Computer Science 2007-05-23 P. Nicolas , F. Saubion , I. Stephan