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Pretrained molecular encoders have become indispensable in computational chemistry for tasks such as property prediction and molecular generation. However, the standard practice of relying solely on final-layer embeddings for downstream…

Machine Learning · Computer Science 2025-10-16 Luis Pinto

Conventional optimization methods in machine learning and controls rely heavily on first-order update rules. Selecting the right method and hyperparameters for a particular task often involves trial-and-error or practitioner intuition,…

Machine Learning · Computer Science 2023-03-31 Tanmay Gautam , Samuel Pfrommer , Somayeh Sojoudi

Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding…

Computer Vision and Pattern Recognition · Computer Science 2017-04-11 Di Xie , Jiang Xiong , Shiliang Pu

To improve the robustness of deep classifiers against adversarial perturbations, many approaches have been proposed, such as designing new architectures with better robustness properties (e.g., Lipschitz-capped networks), or modifying the…

Machine Learning · Computer Science 2025-03-27 Mahyar Fazlyab , Taha Entesari , Aniket Roy , Rama Chellappa

The practice of deep learning has shown that neural networks generalize remarkably well even with an extreme number of learned parameters. This appears to contradict traditional statistical wisdom, in which a trade-off between model…

Machine Learning · Computer Science 2023-02-21 Yifei Wang , Yixuan Hua , Emmanuel Candés , Mert Pilanci

Applying a pre-trained large model to downstream tasks is prohibitive under resource-constrained conditions. Recent dominant approaches for addressing efficiency issues involve adding a few learnable parameters to the fixed backbone model.…

Computer Vision and Pattern Recognition · Computer Science 2023-11-21 Yangyang Guo , Guangzhi Wang , Mohan Kankanhalli

Deep encoders have been proven to be effective in improving neural machine translation (NMT) systems, but training an extremely deep encoder is time consuming. Moreover, why deep models help NMT is an open question. In this paper, we…

Computation and Language · Computer Science 2020-10-09 Bei Li , Ziyang Wang , Hui Liu , Yufan Jiang , Quan Du , Tong Xiao , Huizhen Wang , Jingbo Zhu

Recent research has shown the existence of significant redundancy in large Transformer models. One can prune the redundant parameters without significantly sacrificing the generalization performance. However, we question whether the…

Computation and Language · Computer Science 2022-02-15 Chen Liang , Haoming Jiang , Simiao Zuo , Pengcheng He , Xiaodong Liu , Jianfeng Gao , Weizhu Chen , Tuo Zhao

End-to-end deep trainable models are about to exceed the performance of the traditional handcrafted compression techniques on videos and images. The core idea is to learn a non-linear transformation, modeled as a deep neural network,…

Image and Video Processing · Electrical Eng. & Systems 2022-09-05 Muhammet Balcilar , Bharath Damodaran , Pierre Hellier

The distributed training of foundation models, particularly large language models (LLMs), demands a high level of communication. Consequently, it is highly dependent on a centralized cluster with fast and reliable interconnects. Can we…

Machine Learning · Computer Science 2025-06-27 Ji Qi , WenPeng Zhu , Li Li , Ming Wu , YingJun Wu , Wu He , Xun Gao , Jason Zeng , Michael Heinrich

The role of $L^2$ regularization, in the specific case of deep neural networks rather than more traditional machine learning models, is still not fully elucidated. We hypothesize that this complex interplay is due to the combination of…

Machine Learning · Computer Science 2019-02-11 Pierre H. Richemond , Yike Guo

Overparameterized neural networks often show a benign overfitting property in the sense of achieving excellent generalization behavior despite the number of parameters exceeding the number of training examples. A promising direction to…

Machine Learning · Computer Science 2026-04-23 Yunwen Lei , Yufeng Xie

Loss spikes, a phenomenon in which the loss value diverges suddenly, is a fundamental issue in the pre-training of large language models. This paper supposes that the non-uniformity of the norm of the parameters is one of the causes of loss…

Computation and Language · Computer Science 2024-10-08 Kosuke Nishida , Kyosuke Nishida , Kuniko Saito

Deep learning models for image compression often face practical limitations in hardware-constrained applications. Although these models achieve high-quality reconstructions, they are typically complex, heavyweight, and require substantial…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Caroline Mazini Rodrigues , Nicolas Keriven , Thomas Maugey

This work analyzes the training dynamics of Image Restoration (IR) Transformers and uncovers a critical yet overlooked issue: conventional LayerNorm (LN) drives feature magnitudes to diverge to a million scale and collapses channel-wise…

Computer Vision and Pattern Recognition · Computer Science 2026-02-23 MinKyu Lee , Sangeek Hyun , Woojin Jun , Hyunjun Kim , Jiwoo Chung , Jae-Pil Heo

Training large transformer models from scratch for a target task requires lots of data and is computationally demanding. The usual practice of transfer learning overcomes this challenge by initializing the model with weights of a pretrained…

Deep reinforcement learning excels in numerous large-scale practical applications. However, existing performance analyses ignores the unique characteristics of continuous-time control problems, is unable to directly estimate the…

Machine Learning · Computer Science 2024-03-08 Shuyu Yin , Qixuan Zhou , Fei Wen , Tao Luo

This paper tackles the problem of Lipschitz regularization of Convolutional Neural Networks. Lipschitz regularity is now established as a key property of modern deep learning with implications in training stability, generalization,…

Machine Learning · Computer Science 2020-11-10 Alexandre Araujo , Benjamin Negrevergne , Yann Chevaleyre , Jamal Atif

Deep Neural Networks are known to be very demanding in terms of computing and memory requirements. Due to the ever increasing use of embedded systems and mobile devices with a limited resource budget, designing low-complexity models without…

Machine Learning · Computer Science 2020-11-06 Khaled Koutini , Florian Henkel , Hamid Eghbal-zadeh , Gerhard Widmer

Gradient descent and coordinate descent are well understood in terms of their asymptotic behavior, but less so in a transient regime often used for approximations in machine learning. We investigate how proper initialization can have a…

Machine Learning · Computer Science 2017-06-14 Hadi Daneshmand , Hamed Hassani , Thomas Hofmann
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