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Machine learning interatomic potentials (MLIPs) enable efficient molecular dynamics (MD) simulations with ab initio accuracy and have been applied across various domains in physical science. However, their performance often relies on…

Computational Physics · Physics 2025-07-29 Taoyong Cui , Zhongyao Wang , Dongzhan Zhou , Yuqiang Li , Lei Bai , Wanli Ouyang , Mao Su , Shufei Zhang

The use of machine learning techniques has expanded in education research, driven by the rich data from digital learning environments and institutional data warehouses. However, replication of machine learned models in the domain of the…

Computers and Society · Computer Science 2018-08-23 Josh Gardner , Yuming Yang , Ryan Baker , Christopher Brooks

Federated learning (FL) is a distributed Machine Learning (ML) framework that is capable of training a new global model by aggregating clients' locally trained models without sharing users' original data. Federated learning as a service…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-15 Wentao Gao , Omid Tavallaie , Shuaijun Chen , Albert Zomaya

Federated learning (FL) offers a privacy-centric distributed learning framework, enabling model training on individual clients and central aggregation without necessitating data exchange. Nonetheless, FL implementations often suffer from…

Artificial Intelligence · Computer Science 2024-05-13 Rongyu Zhang , Yun Chen , Chenrui Wu , Fangxin Wang , Bo Li

This paper attempts to analyze the effectiveness of deep learning for tabular data processing. It is believed that decision trees and their ensembles is the leading method in this domain, and deep neural networks must be content with…

Machine Learning · Computer Science 2021-12-08 Ivan Bondarenko

This paper investigates the design of a unified search engine to serve multiple retrieval-augmented generation (RAG) agents, each with a distinct task, backbone large language model (LLM), and RAG strategy. We introduce an iterative…

Computation and Language · Computer Science 2025-06-27 Alireza Salemi , Hamed Zamani

Deep learning has achieved impressive performance in many domains, such as computer vision and natural language processing, but its advantage over classical shallow methods on tabular datasets remains questionable. It is especially…

Machine Learning · Computer Science 2023-08-25 Witold Wydmański , Oleksii Bulenok , Marek Śmieja

Federated Learning (FL) enables training Artificial Intelligence (AI) models over end devices without compromising their privacy. As computing tasks are increasingly performed by a combination of cloud, edge, and end devices, FL can benefit…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-30 Zhiyuan Wu , Sheng Sun , Yuwei Wang , Min Liu , Bo Gao , Quyang Pan , Tianliu He , Xuefeng Jiang

Federated Learning (FL) enables decentralised model training across distributed clients without requiring data centralisation. However, the generalisation performance of the global model is usually degraded by data heterogeneity across…

Machine Learning · Computer Science 2026-05-11 Ozgu Goksu , Nicolas Pugeault

The majority of machine learning methods and algorithms give high priority to prediction performance which may not always correspond to the priority of the users. In many cases, practitioners and researchers in different fields, going from…

Large language models (LLMs) have exhibited impressive reasoning abilities on a wide range of complex tasks. However, enhancing these capabilities through post-training remains resource intensive, particularly in terms of data and…

Artificial Intelligence · Computer Science 2025-08-13 Shuo Cai , Su Lu , Qi Zhou , Kejing Yang , Zhijie Sang , Congkai Xie , Hongxia Yang

Despite the success of existing instruction-tuned models, we find that they usually struggle to respond to queries with multiple instructions. This impairs their performance in complex problems whose solution consists of multiple…

Computation and Language · Computer Science 2024-07-04 Hanxu Hu , Simon Yu , Pinzhen Chen , Edoardo M. Ponti

Large language models (LLMs) are increasingly used to automate feature engineering in tabular learning. Given task-specific information, LLMs can propose diverse feature transformation operations to enhance downstream model performance.…

Machine Learning · Computer Science 2026-01-30 Zhuoyan Li , Aditya Bansal , Jinzhao Li , Shishuang He , Zhuoran Lu , Mutian Zhang , Qin Liu , Yiwei Yang , Swati Jain , Ming Yin , Yunyao Li

Question answering (QA) models have shown rapid progress enabled by the availability of large, high-quality benchmark datasets. Such annotated datasets are difficult and costly to collect, and rarely exist in languages other than English,…

Computation and Language · Computer Science 2020-05-05 Patrick Lewis , Barlas Oğuz , Ruty Rinott , Sebastian Riedel , Holger Schwenk

Federated learning (FL) is usually performed on resource-constrained edge devices, e.g., with limited memory for the computation. If the required memory to train a model exceeds this limit, the device will be excluded from the training.…

Machine Learning · Computer Science 2023-11-28 Kilian Pfeiffer , Ramin Khalili , Jörg Henkel

Large Language Models excel in generative tasks but exhibit inefficiencies in structured text selection, particularly in extractive question answering. This challenge is magnified in resource-constrained environments, where deploying…

Computation and Language · Computer Science 2026-05-29 Yannis Montreuil , Shu Heng Yeo , Axel Carlier , Lai Xing Ng , Wei Tsang Ooi

Large language models (LLMs) often map semantically related prompts to similar internal representations at specific layers, even when their surface forms differ widely. We show that this behavior can be explained through Iterated Function…

Computation and Language · Computer Science 2026-01-21 Sotirios Panagiotis Chytas , Vikas Singh

Active learning (AL) is a prominent technique for reducing the annotation effort required for training machine learning models. Deep learning offers a solution for several essential obstacles to deploying AL in practice but introduces many…

Computation and Language · Computer Science 2022-05-10 Akim Tsvigun , Artem Shelmanov , Gleb Kuzmin , Leonid Sanochkin , Daniil Larionov , Gleb Gusev , Manvel Avetisian , Leonid Zhukov

Federated learning is a form of distributed learning with the key challenge being the non-identically distributed nature of the data in the participating clients. In this paper, we extend federated learning to the setting where multiple…

Machine Learning · Computer Science 2022-07-12 Neelkamal Bhuyan , Sharayu Moharir

LMFAO is an in-memory optimization and execution engine for large batches of group-by aggregates over joins. Such database workloads capture the data-intensive computation of a variety of data science applications. We demonstrate LMFAO for…

Databases · Computer Science 2020-08-21 Maximilian Schleich , Dan Olteanu