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The performance of embodied agents has been shown to improve by increasing model parameters, dataset size, and compute. This has been demonstrated in domains from robotics to video games, when generative learning objectives on offline…

Machine Learning · Computer Science 2024-12-19 Tim Pearce , Tabish Rashid , Dave Bignell , Raluca Georgescu , Sam Devlin , Katja Hofmann

In recent years, multimodal large language models (MLLMs) have shown strong potential in real-world applications. They are developing rapidly due to their remarkable ability to comprehend multimodal information and their inherent powerful…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Bozhou Li , Hao Liang , Zimo Meng , Wentao Zhang

Recent developments in deep learning have made remarkable progress in speeding up the prediction of quantum chemical (QC) properties by removing the need for expensive electronic structure calculations like density functional theory.…

Chemical Physics · Physics 2023-07-10 Shuqi Lu , Zhifeng Gao , Di He , Linfeng Zhang , Guolin Ke

We present Pangu Ultra, a Large Language Model (LLM) with 135 billion parameters and dense Transformer modules trained on Ascend Neural Processing Units (NPUs). Although the field of LLM has been witnessing unprecedented advances in pushing…

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that accurately…

Computation and Language · Computer Science 2024-04-09 Yiqun Yao , Siqi fan , Xiusheng Huang , Xuezhi Fang , Xiang Li , Ziyi Ni , Xin Jiang , Xuying Meng , Peng Han , Shuo Shang , Kang Liu , Aixin Sun , Yequan Wang

Chemical Language Models (CLMs) pre-trained on large scale molecular data are widely used for molecular property prediction. However, the common belief that increasing training resources such as model size, dataset size, and training…

Machine Learning · Computer Science 2026-05-14 Tatsuya Sagawa , Ryosuke Kojima

We investigate trends in the data-error scaling laws of machine learning (ML) models trained on discrete combinatorial spaces that are prone-to-mutation, such as proteins or organic small molecules. We trained and evaluated kernel ridge…

Chemical Physics · Physics 2025-10-10 Vanni Doffini , O. Anatole von Lilienfeld , Michael A. Nash

In recent years, language models have drastically grown in size, and the abilities of these models have been shown to improve with scale. The majority of recent scaling laws studies focused on high-compute high-parameter count settings,…

Computation and Language · Computer Science 2023-06-01 Vijeta Deshpande , Dan Pechi , Shree Thatte , Vladislav Lialin , Anna Rumshisky

Scaling laws for language models have often focused on finding the optimal model size and token count for training from scratch. However, achieving this optimal balance requires significant compute resources due to the extensive data…

Computation and Language · Computer Science 2025-04-01 Roseval Malaquias Junior , Ramon Pires , Thales Sales Almeida , Kenzo Sakiyama , Roseli A. F. Romero , Rodrigo Nogueira

Scaling laws in language modeling traditionally quantify training loss as a function of dataset size and model parameters, providing compute-optimal estimates but often neglecting the impact of data quality on model generalization. In this…

Computation and Language · Computer Science 2024-10-07 Ernie Chang , Matteo Paltenghi , Yang Li , Pin-Jie Lin , Changsheng Zhao , Patrick Huber , Zechun Liu , Rastislav Rabatin , Yangyang Shi , Vikas Chandra

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their…

Generative language models define distributions over sequences of tokens that can represent essentially any combination of data modalities (e.g., any permutation of image tokens from VQ-VAEs, speech tokens from HuBERT, BPE tokens for…

In this paper, we investigated how to build a high-performance vision encoding model to predict brain activity as part of our participation in the Algonauts Project 2023 Challenge. The challenge provided brain activity recorded by…

Neurons and Cognition · Quantitative Biology 2023-08-02 Takuya Matsuyama , Kota S Sasaki , Shinji Nishimoto

The remarkable success of large language pretraining and the discovery of scaling laws signify a paradigm shift in machine learning. Notably, the primary objective has evolved from minimizing generalization error to reducing approximation…

Machine Learning · Computer Science 2025-02-17 Lechao Xiao

In recent years, machine learning (ML) methods have emerged as promising alternatives for molecular docking, offering the potential for high accuracy without incurring prohibitive computational costs. However, recent studies have indicated…

Biomolecules · Quantitative Biology 2024-05-21 Eric Alcaide , Zhifeng Gao , Guolin Ke , Yaqi Li , Linfeng Zhang , Hang Zheng , Gengmo Zhou

Scaling laws provide important insights that can guide the design of large language models (LLMs). Existing work has primarily focused on studying scaling laws for pretraining (upstream) loss. However, in transfer learning settings, in…

Computation and Language · Computer Science 2026-01-30 Berivan Isik , Natalia Ponomareva , Hussein Hazimeh , Dimitris Paparas , Sergei Vassilvitskii , Sanmi Koyejo

Using machine learning (ML) to construct interatomic interactions and thus potential energy surface (PES) has become a common strategy for materials design and simulations. However, those current models of machine learning interatomic…

Continual learning (CL) in large language models (LLMs) is an evolving domain that focuses on developing efficient and sustainable training strategies to adapt models to emerging knowledge and achieve robustness in dynamic environments. Our…

Computation and Language · Computer Science 2025-02-13 Çağatay Yıldız , Nishaanth Kanna Ravichandran , Nitin Sharma , Matthias Bethge , Beyza Ermis

Scaling laws have played a major role in the modern AI revolution, providing practitioners predictive power over how the model performance will improve with increasing data, compute, and number of model parameters. This has spurred an…

Machine Learning · Computer Science 2026-01-16 Maissam Barkeshli , Alberto Alfarano , Andrey Gromov

Scaling laws in deep learning -- empirical power-law relationships linking model performance to resource growth -- have emerged as simple yet striking regularities across architectures, datasets, and tasks. These laws are particularly…

Machine Learning · Computer Science 2026-05-01 Francesco D'Amico , Dario Bocchi , Matteo Negri
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