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In this paper, we present EasyDistill, a comprehensive toolkit designed for effective black-box and white-box knowledge distillation (KD) of large language models (LLMs). Our framework offers versatile functionalities, including data…

Computation and Language · Computer Science 2025-06-30 Chengyu Wang , Junbing Yan , Wenrui Cai , Yuanhao Yue , Jun Huang

Machine learning interatomic potentials (MLIPs) have proven to be wildly useful for molecular dynamics simulations, powering countless drug and materials discovery applications. However, MLIPs face two primary bottlenecks preventing them…

Machine Learning · Computer Science 2026-01-30 Kevin Han , Haolin Cong , Bowen Deng , Amir Barati Farimani

Recent advancements in dataset distillation have demonstrated the significant benefits of employing soft labels generated by pre-trained teacher models. In this paper, we introduce a novel perspective by emphasizing the full utilization of…

Computer Vision and Pattern Recognition · Computer Science 2025-03-07 Xinyi Shang , Peng Sun , Tao Lin

We present an approach to generate machine-learned force fields (MLFF) with beyond density functional theory (DFT) accuracy. Our approach combines on-the-fly active learning and $\Delta$-machine learning in order to generate an MLFF for…

Materials Science · Physics 2022-03-02 Peitao Liu , Carla Verdi , Ferenc Karsai , Georg Kresse

The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not experts but wish to use these tools. The spirit of this review is…

Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…

Chemical Physics · Physics 2020-03-02 Anton V. Sinitskiy , Vijay S. Pande

Machine learning interatomic potentials (MLIPs) require generating computationally expensive, large-scale training datasets to accurately simulate materials and molecules. Incorporating electronic structure information using multitask…

Chemical Physics · Physics 2026-05-26 Ihor Neporozhnii , Sjoerd Hoogland , Oleksandr Voznyy

Machine learning interatomic potentials (MLIPs) have achieved remarkable accuracy on standard benchmarks, yet their ability to reproduce molecular kinetics -- critical for reaction rate calculations -- remains largely unexplored. We…

Automated data preparation is crucial for democratizing machine learning, yet existing reinforcement learning (RL) based approaches suffer from inefficient exploration in the vast space of possible preprocessing pipelines. We present…

Databases · Computer Science 2025-07-21 Jing Chang , Chang Liu , Jinbin Huang , Rui Mao , Jianbin Qin

We present a new method for making diffusion models faster to sample. The method distills many-step diffusion models into few-step models by matching conditional expectations of the clean data given noisy data along the sampling trajectory.…

Machine Learning · Computer Science 2024-06-07 Tim Salimans , Thomas Mensink , Jonathan Heek , Emiel Hoogeboom

Recent advances have been made in applying convolutional neural networks to achieve more precise prediction results for medical image segmentation problems. However, the success of existing methods has highly relied on huge computational…

Image and Video Processing · Electrical Eng. & Systems 2021-08-24 Dian Qin , Jiajun Bu , Zhe Liu , Xin Shen , Sheng Zhou , Jingjun Gu , Zhijua Wang , Lei Wu , Huifen Dai

In this paper, we present BitNet Distillation (BitDistill), a lightweight pipeline that fine-tunes off-the-shelf full-precision LLMs (e.g., Qwen) into 1.58-bit precision (i.e., ternary weights {-1, 0, 1}) for specific downstream tasks,…

Machine Learning · Computer Science 2025-10-17 Xun Wu , Shaohan Huang , Wenhui Wang , Ting Song , Li Dong , Yan Xia , Furu Wei

Diffusion- and flow-based models have emerged as state-of-the-art generative modeling approaches, but they require many sampling steps. Consistency models can distill these models into efficient one-step generators; however, unlike flow-…

Computer Vision and Pattern Recognition · Computer Science 2025-06-18 Amirmojtaba Sabour , Sanja Fidler , Karsten Kreis

Spatial phase unwrapping is a key technique for extracting phase information to obtain 3D morphology and other features. Modern industrial measurement scenarios demand high precision, large image sizes, and high speed. However, conventional…

Computer Vision and Pattern Recognition · Computer Science 2025-04-18 Lintong Du , Huazhen Liu , Yijia Zhang , ShuXin Liu , Yuan Qu , Zenghui Zhang , Jiamiao Yang

Dataset distillation aims at synthesizing a dataset by a small number of artificially generated data items, which, when used as training data, reproduce or approximate a machine learning (ML) model as if it were trained on the entire…

Machine Learning · Computer Science 2024-03-27 Radu-Andrei Rosu , Mihaela-Elena Breaban , Henri Luchian

Machine learning interatomic potentials (MLIPs) have been widely used to facilitate large-scale molecular simulations with accuracy comparable to ab initio methods. In practice, MLIP-based molecular simulations often encounter the issue of…

Computational Physics · Physics 2025-04-17 Han Xu , Taoyong Cui , Chenyu Tang , Jinzhe Ma , Dongzhan Zhou , Yuqiang Li , Xiang Gao , Xingao Gong , Wanli Ouyang , Shufei Zhang , Mao Su

Pre-trained Vision-Language (VL) models such as CLIP have demonstrated their excellent performance across numerous downstream tasks. A recent method, Context Optimization (CoOp), further improves the performance of VL models on downstream…

Computation and Language · Computer Science 2024-12-23 Biao Liu , Wenyi Fang , Xiaoyu Wu , Yang Zheng , Zheng Hu , Bo Yuan

Knowledge distillation involves transferring the predictive capabilities of large, high-performing AI models (teachers) to smaller models (students) that can operate in environments with limited computing power. In this paper, we address…

Machine Learning · Computer Science 2026-01-12 Pattarawat Chormai , Ali Hashemi , Klaus-Robert Müller , Grégoire Montavon

Diffusion models have recently achieved remarkable performance in image super-resolution (SR), but their high computational cost limits practical deployment in remote sensing applications. To address this issue, we propose SlimDiffSR, a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Ce Wang , Zhenyu Hu , Wanjie Sun

Flow-matching models have enabled high-quality text-to-speech synthesis, but their iterative sampling process during inference incurs substantial computational cost. Although distillation is widely used to reduce the number of inference…

Sound · Computer Science 2026-02-11 Bin Lin , Peng Yang , Chao Yan , Xiaochen Liu , Wei Wang , Boyong Wu , Pengfei Tan , Xuerui Yang