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Predicting material properties is crucial for designing better batteries, semiconductors, and medical devices. Deep learning helps scientists quickly find promising materials by predicting their energy, forces, and stresses. Companies scale…

Machine Learning · Computer Science 2025-09-29 Akshay Trikha , Kyle Chu , Advait Gosai , Parker Szachta , Eric Weiner

Synthetic-to-real transfer learning is a framework in which a synthetically generated dataset is used to pre-train a model to improve its performance on real vision tasks. The most significant advantage of using synthetic images is that the…

Machine Learning · Computer Science 2021-10-12 Hiroaki Mikami , Kenji Fukumizu , Shogo Murai , Shuji Suzuki , Yuta Kikuchi , Taiji Suzuki , Shin-ichi Maeda , Kohei Hayashi

Simulation-to-reality transfer has emerged as a popular and highly successful method to train robotic control policies for a wide variety of tasks. However, it is often challenging to determine when policies trained in simulation are ready…

Simulation-to-Real (Sim2Real) transfer learning, the machine learning technique that efficiently solves a real-world task by leveraging knowledge from computational data, has received increasing attention in materials science as a promising…

Chemical Physics · Physics 2025-04-08 Yuta Yahagi , Kiichi Obuchi , Fumihiko Kosaka , Kota Matsui

We study empirical scaling laws for transfer learning between distributions in an unsupervised, fine-tuning setting. When we train increasingly large neural networks from-scratch on a fixed-size dataset, they eventually become data-limited…

Machine Learning · Computer Science 2021-02-03 Danny Hernandez , Jared Kaplan , Tom Henighan , Sam McCandlish

Neural scaling laws define a predictable relationship between a model's parameter count and its performance after training in the form of a power law. However, most research to date has not explicitly investigated whether scaling laws can…

Computation and Language · Computer Science 2022-10-19 Maor Ivgi , Yair Carmon , Jonathan Berant

In order to mitigate the sample complexity of real-world reinforcement learning, common practice is to first train a policy in a simulator where samples are cheap, and then deploy this policy in the real world, with the hope that it…

Machine Learning · Computer Science 2024-10-29 Andrew Wagenmaker , Kevin Huang , Liyiming Ke , Byron Boots , Kevin Jamieson , Abhishek Gupta

We present a limited empirical study of scaling laws for transfer learning in transformer models. More specifically, we examine a scaling law that incorporates a "transfer gap" term, indicating the effectiveness of pre-training on one…

Machine Learning · Computer Science 2024-09-02 Matthew Barnett

Neural network-based emulators for the inference of stellar parameters and elemental abundances represent an increasingly popular methodology in modern spectroscopic surveys. However, these approaches are often constrained by their…

Instrumentation and Methods for Astrophysics · Physics 2025-06-10 Tomasz Różański , Yuan-Sen Ting

Data scaling has revolutionized fields like natural language processing and computer vision, providing models with remarkable generalization capabilities. In this paper, we investigate whether similar data scaling laws exist in robotics,…

Robotics · Computer Science 2025-10-14 Yingdong Hu , Fanqi Lin , Pingyue Sheng , Chuan Wen , Jiacheng You , Yang Gao

Molecular Representation Learning (MRL) has emerged as a powerful tool for drug and materials discovery in a variety of tasks such as virtual screening and inverse design. While there has been a surge of interest in advancing model-centric…

Chemical Physics · Physics 2023-09-29 Dingshuo Chen , Yanqiao Zhu , Jieyu Zhang , Yuanqi Du , Zhixun Li , Qiang Liu , Shu Wu , Liang Wang

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

When training deep neural networks, a model's generalization error is often observed to follow a power scaling law dependent both on the model size and the data size. Perhaps the best known example of such scaling laws are for…

Machine Learning · Computer Science 2024-11-12 Alex Havrilla , Wenjing Liao

Vision and learning have made significant progress that could improve robotics policies for complex tasks and environments. Learning deep neural networks for image understanding, however, requires large amounts of domain-specific visual…

Machine Learning · Computer Science 2019-07-31 Alexander Pashevich , Robin Strudel , Igor Kalevatykh , Ivan Laptev , Cordelia Schmid

Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve…

Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science,…

Chemical Physics · Physics 2025-11-18 Ryo Yoshida , Yoshihiro Hayashi , Hidemine Furuya , Ryohei Hosoya , Kazuyoshi Kaneko , Hiroki Sugisawa , Yu Kaneko , Aiko Takahashi , Yoh Noguchi , Shun Nanjo , Keiko Shinoda , Tomu Hamakawa , Mitsuru Ohno , Takuya Kitamura , Misaki Yonekawa , Stephen Wu , Masato Ohnishi , Chang Liu , Teruki Tsurimoto , Arifin , Araki Wakiuchi , Kohei Noda , Junko Morikawa , Teruaki Hayakawa , Junichiro Shiomi , Masanobu Naito , Kazuya Shiratori , Tomoki Nagai , Norio Tomotsu , Hiroto Inoue , Ryuichi Sakashita , Masashi Ishii , Isao Kuwajima , Kenji Furuichi , Norihiko Hiroi , Yuki Takemoto , Takahiro Ohkuma , Keita Yamamoto , Naoya Kowatari , Masato Suzuki , Naoya Matsumoto , Seiryu Umetani , Hisaki Ikebata , Yasuyuki Shudo , Mayu Nagao , Shinya Kamada , Kazunori Kamio , Taichi Shomura , Kensaku Nakamura , Yudai Iwamizu , Atsutoshi Abe , Koki Yoshitomi , Yuki Horie , Katsuhiko Koike , Koichi Iwakabe , Shinya Gima , Kota Usui , Gikyo Usuki , Takuro Tsutsumi , Keitaro Matsuoka , Kazuki Sada , Masahiro Kitabata , Takuma Kikutsuji , Akitaka Kamauchi , Yusuke Iijima , Tsubasa Suzuki , Takenori Goda , Yuki Takabayashi , Kazuko Imai , Yuji Mochizuki , Hideo Doi , Koji Okuwaki , Hiroya Nitta , Taku Ozawa , Hitoshi Kamijima , Toshiaki Shintani , Takuma Mitamura , Massimiliano Zamengo , Yuitsu Sugami , Seiji Akiyama , Yoshinari Murakami , Atsushi Betto , Naoya Matsuo , Satoru Kagao , Tetsuya Kobayashi , Norie Matsubara , Shosei Kubo , Yuki Ishiyama , Yuri Ichioka , Mamoru Usami , Satoru Yoshizaki , Seigo Mizutani , Yosuke Hanawa , Shogo Kunieda , Mitsuru Yambe , Takeru Nakamura , Hiromori Murashima , Kenji Takahashi , Naoki Wada , Masahiro Kawano , Yosuke Harada , Takehiro Fujita , Erina Fujita , Ryoji Himeno , Hiori Kino , Kenji Fukumizu

The scaling law, a cornerstone of Large Language Model (LLM) development, predicts improvements in model performance with increasing computational resources. Yet, while empirically validated, its theoretical underpinnings remain poorly…

Machine Learning · Computer Science 2026-02-03 Chiwun Yang

We present a novel solution to the problem of simulation-to-real transfer, which builds on recent advances in robot skill decomposition. Rather than focusing on minimizing the simulation-reality gap, we learn a set of diverse policies that…

Machine Learning · Computer Science 2018-11-15 Ryan Julian , Eric Heiden , Zhanpeng He , Hejia Zhang , Stefan Schaal , Joseph J. Lim , Gaurav Sukhatme , Karol Hausman

Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and materials discovery. Self-supervised pretraining of transformer models requires large-scale…

Machine Learning · Computer Science 2023-10-27 Pei Zhang , Logan Kearney , Debsindhu Bhowmik , Zachary Fox , Amit K. Naskar , John Gounley

Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical importance. A common solution to such data scarcity is to use…

Machine Learning · Computer Science 2024-10-02 Chanhui Lee , Dae-Woong Jeong , Sung Moon Ko , Sumin Lee , Hyunseung Kim , Soorin Yim , Sehui Han , Sungwoong Kim , Sungbin Lim
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