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In supervised learning, it is known that overparameterized neural networks with one hidden layer provably and efficiently learn and generalize, when trained using stochastic gradient descent with a sufficiently small learning rate and…

机器学习 · 计算机科学 2022-03-24 Kulin Shah , Amit Deshpande , Navin Goyal

We present a continual learning approach for generative adversarial networks (GANs), by designing and leveraging parameter-efficient feature map transformations. Our approach is based on learning a set of global and task-specific…

机器学习 · 计算机科学 2021-08-02 Sakshi Varshney , Vinay Kumar Verma , Srijith P K , Lawrence Carin , Piyush Rai

The Boltzmann distribution of a protein provides a roadmap to all of its functional states. Normalizing flows are a promising tool for modeling this distribution, but current methods are intractable for typical pharmacological targets; they…

机器学习 · 计算机科学 2024-01-10 Joseph C. Kim , David Bloore , Karan Kapoor , Jun Feng , Ming-Hong Hao , Mengdi Wang

This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables. We propose the Latent…

Medical image segmentation is inherently an ambiguous task due to factors such as partial volumes and variations in anatomical definitions. While in most cases the segmentation uncertainty is around the border of structures of interest,…

机器学习 · 统计学 2020-08-05 Raghavendra Selvan , Frederik Faye , Jon Middleton , Akshay Pai

Flow matching (FM) is a family of training algorithms for fitting continuous normalizing flows (CNFs). Conditional flow matching (CFM) exploits the fact that the marginal vector field of a CNF can be learned by fitting least-squares…

机器学习 · 统计学 2025-02-04 Ganchao Wei , Li Ma

We build a theoretical framework for designing and understanding practical meta-learning methods that integrates sophisticated formalizations of task-similarity with the extensive literature on online convex optimization and sequential…

机器学习 · 计算机科学 2019-12-10 Mikhail Khodak , Maria-Florina Balcan , Ameet Talwalkar

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

机器学习 · 计算机科学 2020-10-26 Amina Mollaysa , Brooks Paige , Alexandros Kalousis

We present a conditional generative model to learn variation in cell and nuclear morphology and the location of subcellular structures from microscopy images. Our model generalizes to a wide range of subcellular localization and allows for…

机器学习 · 统计学 2017-05-02 Gregory R. Johnson , Rory M. Donovan-Maiye , Mary M. Maleckar

Normalizing flows are a powerful class of generative models for continuous random variables, showing both strong model flexibility and the potential for non-autoregressive generation. These benefits are also desired when modeling discrete…

机器学习 · 统计学 2019-06-06 Zachary M. Ziegler , Alexander M. Rush

Recently, there has been a surge of interest in incorporating neural networks into particle filters, e.g. differentiable particle filters, to perform joint sequential state estimation and model learning for non-linear non-Gaussian…

机器学习 · 计算机科学 2025-01-07 Xiongjie Chen , Yunpeng Li

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

机器学习 · 计算机科学 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

A fundamental challenge in multiagent reinforcement learning is to learn beneficial behaviors in a shared environment with other simultaneously learning agents. In particular, each agent perceives the environment as effectively…

Navigating the vast chemical space of molecular structures to design novel drug molecules with desired target properties remains a central challenge in drug discovery. Recent advances in generative models offer promising solutions. This…

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network…

机器学习 · 计算机科学 2023-06-12 Shahar Lutati , Lior Wolf

This work exploits translation data as a source of semantically relevant learning signal for models of word representation. In particular, we exploit equivalence through translation as a form of distributed context and jointly learn how to…

计算与语言 · 计算机科学 2018-04-24 Miguel Rios , Wilker Aziz , Khalil Sima'an

In this paper, we propose a learning algorithm that enables a model to quickly exploit commonalities among related tasks from an unseen task distribution, before quickly adapting to specific tasks from that same distribution. We investigate…

机器学习 · 计算机科学 2021-07-21 Arnout Devos , Yatin Dandi

Structure-based drug design (SBDD) aims to efficiently discover high-affinity ligands within vast chemical spaces. However, current generative models struggle with objective misalignment and rigid sampling budgets. We present MolFORM, a…

计算工程、金融与科学 · 计算机科学 2026-02-26 Daiheng Zhang , Zhao Zhang

In many domains generating variable length sequences through insertions provides greater flexibility over autoregressive models. However, the action space of insertion models is much larger than that of autoregressive models (ARMs) making…

We extend flow matching to ensembles of linear systems in both deterministic and stochastic settings. Averaging over system parameters induces memory leading to a non-Markovian interpolation problem for the stochastic case. In this setting,…

最优化与控制 · 数学 2025-10-17 Daniel Owusu Adu , Yongxin Chen
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