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The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…

Chemical Physics · Physics 2016-11-23 Bing Huang , O. Anatole von Lilienfeld

Multimodal Large Language Model (MLLM) have demonstrated strong generalization capabilities across diverse distributions and tasks, largely due to extensive pre-training datasets. Fine-tuning MLLM has become a common practice to improve…

Computation and Language · Computer Science 2024-11-19 Wenke Huang , Jian Liang , Zekun Shi , Didi Zhu , Guancheng Wan , He Li , Bo Du , Dacheng Tao , Mang Ye

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

Although much of the success of Deep Learning builds on learning good representations, a rigorous method to evaluate their quality is lacking. In this paper, we treat the evaluation of representations as a model selection problem and…

Machine Learning · Computer Science 2024-11-19 Yazhe Li , Jorg Bornschein , Marcus Hutter

A common strategy in modern learning systems is to learn a representation that is useful for many tasks, a.k.a. representation learning. We study this strategy in the imitation learning setting for Markov decision processes (MDPs) where…

Machine Learning · Computer Science 2020-02-26 Sanjeev Arora , Simon S. Du , Sham Kakade , Yuping Luo , Nikunj Saunshi

Background and objective: Employing deep learning models in critical domains such as medical imaging poses challenges associated with the limited availability of training data. We present a strategy for improving the performance and…

Computer Vision and Pattern Recognition · Computer Science 2024-03-27 Eva Pachetti , Sotirios A. Tsaftaris , Sara Colantonio

While numerous machine unlearning (MU) methods have recently been developed with promising results in erasing the influence of forgotten data, classes, or concepts, they are also highly vulnerable-for example, simple fine-tuning can…

Machine Learning · Computer Science 2026-04-10 Yichen Gao , Altay Unal , Akshay Rangamani , Zhihui Zhu

The Continual Learning (CL) problem involves performing well on a sequence of tasks under limited compute. Current algorithms in the domain are either slow, offline or sensitive to hyper-parameters. La-MAML, an optimization-based…

Machine Learning · Computer Science 2021-05-21 Joel Joseph , Alex Gu

Optimization-based meta-learning typically assumes tasks are sampled from a single distribution - an assumption oversimplifies and limits the diversity of tasks that meta-learning can model. Handling tasks from multiple different…

Machine Learning · Computer Science 2021-09-29 Zhe Wang , Jake Grigsby , Arshdeep Sekhon , Yanjun Qi

Meta-learning has arisen as a successful method for improving training performance by training over many similar tasks, especially with deep neural networks (DNNs). However, the theoretical understanding of when and why overparameterized…

Machine Learning · Computer Science 2023-04-11 Peizhong Ju , Yingbin Liang , Ness B. Shroff

This paper discusses an Enhanced Model-Agnostic Meta-Learning (E-MAML) algorithm that generates fast convergence of the policy function from a small number of training examples when applied to new learning tasks. Built on top of…

Machine Learning · Computer Science 2020-12-14 Ibrahim Ahmed , Marcos Quinones-Grueiro , Gautam Biswas

A meta-model is trained on a distribution of similar tasks such that it learns an algorithm that can quickly adapt to a novel task with only a handful of labeled examples. Most of current meta-learning methods assume that the meta-training…

Machine Learning · Computer Science 2019-04-12 Minseop Park , Jungtaek Kim , Saehoon Kim , Yanbin Liu , Seungjin Choi

Meta learning has attracted much attention recently in machine learning community. Contrary to conventional machine learning aiming to learn inherent prediction rules to predict labels for new query data, meta learning aims to learn the…

Machine Learning · Computer Science 2023-07-04 Jun Shu , Deyu Meng , Zongben Xu

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Deen Dayal Mohan , Bhavin Jawade , Srirangaraj Setlur , Venu Govindaraj

Learned representations in deep reinforcement learning (DRL) have to extract task-relevant information from complex observations, balancing between robustness to distraction and informativeness to the policy. Such stable and rich…

Machine Learning · Computer Science 2021-10-28 Mete Kemertas , Tristan Aumentado-Armstrong

Model-agnostic meta-learning (MAML) has emerged as one of the most successful meta-learning techniques in few-shot learning. It enables us to learn a meta-initialization} of model parameters (that we call meta-model) to rapidly adapt to new…

Machine Learning · Computer Science 2021-02-23 Ren Wang , Kaidi Xu , Sijia Liu , Pin-Yu Chen , Tsui-Wei Weng , Chuang Gan , Meng Wang

A continual learning agent should be able to build on top of existing knowledge to learn on new data quickly while minimizing forgetting. Current intelligent systems based on neural network function approximators arguably do the…

Machine Learning · Computer Science 2019-11-01 Khurram Javed , Martha White

As machine learning has been deployed ubiquitously across applications in modern data science, algorithmic fairness has become a great concern. Among them, imposing fairness constraints during learning, i.e. in-processing fair training, has…

Machine Learning · Computer Science 2023-07-18 Yuzhen Mao , Zhun Deng , Huaxiu Yao , Ting Ye , Kenji Kawaguchi , James Zou

Representation learning is a key technique in modern machine learning that enables models to identify meaningful patterns in complex data. However, different methods tend to extract distinct aspects of the data, and relying on a single…

Machine Learning · Statistics 2025-09-30 Wenhui Li , Shijin Gong , Xinyu Zhang

Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally…

Machine Learning · Computer Science 2026-03-16 Helen Qu , Rudy Morel , Michael McCabe , Alberto Bietti , François Lanusse , Shirley Ho , Yann LeCun
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