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Molecular generative models, often employing GPT-style language modeling on molecular string representations, have shown promising capabilities when scaled to large datasets and model sizes. However, it remains unclear and subject to debate…

Machine Learning · Computer Science 2026-02-02 Dong Xu , Qihua Pan , Sisi Yuan , Jianqiang Li , Zexuan Zhu , Junkai Ji

Mathematical reasoning is a challenging task for large language models (LLMs), while the scaling relationship of it with respect to LLM capacity is under-explored. In this paper, we investigate how the pre-training loss, supervised data…

Computation and Language · Computer Science 2023-09-14 Zheng Yuan , Hongyi Yuan , Chengpeng Li , Guanting Dong , Keming Lu , Chuanqi Tan , Chang Zhou , Jingren Zhou

Training compute is increasingly outpacing the availability of high-quality data. This shifts the central challenge from optimal compute allocation to extracting maximum value from limited data. The widely adopted Chinchilla scaling law…

Machine Learning · Computer Science 2026-05-05 Justin Lovelace , Christian Belardi , Srivatsa Kundurthy , Shriya Sudhakar , Kilian Q. Weinberger

Continual learning, focused on sequentially learning multiple tasks, has gained significant attention recently. Despite the tremendous progress made in the past, the theoretical understanding, especially factors contributing to catastrophic…

Machine Learning · Computer Science 2024-05-29 Meng Ding , Kaiyi Ji , Di Wang , Jinhui Xu

Solving high-dimensional partial differential equations (PDEs) is a critical challenge where modern data-driven solvers often lack reliability and rigorous error guarantees. We introduce Simulation-Calibrated Scientific Machine Learning…

Numerical Analysis · Mathematics 2025-12-25 Zexi Fan , Yan Sun , Shihao Yang , Yiping Lu

Federated Learning (FL) and Split Learning (SL) are privacy-preserving Machine-Learning (ML) techniques that enable training ML models over data distributed among clients without requiring direct access to their raw data. Existing FL and SL…

Machine Learning · Computer Science 2022-11-08 Ali Abedi , Shehroz S. Khan

State of the art Symbolic Regression (SR) methods currently build specialized models, while the application of Large Language Models (LLMs) remains largely unexplored. In this work, we introduce the first comprehensive framework that…

Computation and Language · Computer Science 2024-09-27 Matteo Merler , Katsiaryna Haitsiukevich , Nicola Dainese , Pekka Marttinen

A body of recent work in modeling neural activity focuses on recovering low-dimensional latent features that capture the statistical structure of large-scale neural populations. Most such approaches have focused on linear generative models,…

Neurons and Cognition · Quantitative Biology 2016-10-26 Yuanjun Gao , Evan Archer , Liam Paninski , John P. Cunningham

This work studies the general principles of improving the learning of language models (LMs), which aims at reducing the necessary training steps for achieving superior performance. Specifically, we present a theory for the optimal learning…

Computation and Language · Computer Science 2024-03-05 Yuxian Gu , Li Dong , Yaru Hao , Qingxiu Dong , Minlie Huang , Furu Wei

Understanding how the collective activity of neural populations relates to computation and ultimately behavior is a key goal in neuroscience. To this end, statistical methods which describe high-dimensional neural time series in terms of…

Neurons and Cognition · Quantitative Biology 2025-01-14 Amber Hu , David Zoltowski , Aditya Nair , David Anderson , Lea Duncker , Scott Linderman

Large Language Models (LLMs) are pretrained on massive datasets and later instruction-tuned via supervised fine-tuning (SFT) or reinforcement learning (RL). Best practices emphasize large, diverse pretraining data, whereas post-training…

Machine Learning · Computer Science 2026-03-03 Adel Javanmard , Baharan Mirzasoleiman , Vahab Mirrokni

In this work, we observe a counterintuitive phenomenon in self-supervised learning (SSL): longer training may impair the performance of dense prediction tasks (e.g., semantic segmentation). We refer to this phenomenon as Self-supervised…

Computer Vision and Pattern Recognition · Computer Science 2025-10-21 Siran Dai , Qianqian Xu , Peisong Wen , Yang Liu , Qingming Huang

Lifelong Reinforcement Learning (LRL) holds significant potential for addressing sequential tasks, but it still faces considerable challenges. A key difficulty lies in effectively preventing catastrophic forgetting and facilitating…

Machine Learning · Computer Science 2025-03-18 Zhiyi Huang , Xiaohan Shan , Jianmin Li

Empirically-determined scaling laws have been broadly successful in predicting the evolution of large machine learning models with training data and number of parameters. As a consequence, they have been useful for optimizing the allocation…

Computer Vision and Pattern Recognition · Computer Science 2024-07-26 Katherine L. Mentzer , Andrea Montanari

When data is plentiful, the loss achieved by well-trained neural networks scales as a power-law $L \propto N^{-\alpha}$ in the number of network parameters $N$. This empirical scaling law holds for a wide variety of data modalities, and may…

Machine Learning · Computer Science 2020-04-24 Utkarsh Sharma , Jared Kaplan

Large language models (LLMs) have demonstrated emergent in-context learning (ICL) capabilities across a range of tasks, including zero-shot time-series forecasting. We show that text-trained foundation models can accurately extrapolate…

Machine Learning · Computer Science 2026-03-13 Jiajun Bao , Nicolas Boullé , Toni J. B. Liu , Raphaël Sarfati , Christopher J. Earls

Continual fine-tuning of large language models (LLMs) is becoming increasingly crucial as these models are deployed in dynamic environments where tasks and data distributions evolve over time. While strong adaptability enables rapid…

Machine Learning · Computer Science 2026-03-11 Yiyang Lu , Yu He , Jianlong Chen , Hongyuan Zha

We introduce a similarity function on formulae of signal temporal logic (STL). It comes in the form of a kernel function, well known in machine learning as a conceptually and computationally efficient tool. The corresponding kernel trick…

Logic in Computer Science · Computer Science 2022-01-26 Luca Bortolussi , Giuseppe Maria Gallo , Jan Křetínský , Laura Nenzi

We consider the problem of kernel classification. While worst-case bounds on the decay rate of the prediction error with the number of samples are known for some classifiers, they often fail to accurately describe the learning curves of…

Machine Learning · Statistics 2023-09-07 Hugo Cui , Bruno Loureiro , Florent Krzakala , Lenka Zdeborová

Fine-tuning large language models (LLMs) for reasoning tasks using reinforcement learning methods like Group Relative Policy Optimization (GRPO) is computationally expensive. To address this, we propose a predictive framework that models…

Machine Learning · Computer Science 2026-03-23 Datta Nimmaturi , Vaishnavi Bhargava , Rajat Ghosh , Johnu George , Debojyoti Dutta