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We consider the approximation of functions by 2-layer neural networks with a small number of hidden weights based on the squared loss and small datasets. Due to the highly non-convex energy landscape, gradient-based training often suffers…

机器学习 · 计算机科学 2025-08-14 Johannes Hertrich , Sebastian Neumayer

For reliability, it is important that the predictions made by machine learning methods are interpretable by human. In general, deep neural networks (DNNs) can provide accurate predictions, although it is difficult to interpret why such…

机器学习 · 计算机科学 2021-12-16 Yuya Yoshikawa , Tomoharu Iwata

Transcriptional profiling on microarrays to obtain gene expressions has been used to facilitate cancer diagnosis. We propose a deep generative machine learning architecture (called DeepCancer) that learn features from unlabeled microarray…

人工智能 · 计算机科学 2016-12-14 Rajendra Rana Bhat , Vivek Viswanath , Xiaolin Li

Drug discovery using deep learning has attracted a lot of attention of late as it has obvious advantages like higher efficiency, less manual guessing and faster process time. In this paper, we present a novel neural network for generating…

生物大分子 · 定量生物学 2021-10-08 Abhinav Sagar

Deep neural networks have been shown to be very powerful modeling tools for many supervised learning tasks involving complex input patterns. However, they can also easily overfit to training set biases and label noises. In addition to…

机器学习 · 计算机科学 2019-05-07 Mengye Ren , Wenyuan Zeng , Bin Yang , Raquel Urtasun

Deep neural networks have achieved remarkable performance in various text-based tasks but often lack interpretability, making them less suitable for applications where transparency is critical. To address this, we propose ProtoLens, a novel…

计算与语言 · 计算机科学 2024-10-25 Bowen Wei , Ziwei Zhu

In this paper, we introduce an alternative approach, namely GEN (Genetic Evolution Network) Model, to the deep learning models. Instead of building one single deep model, GEN adopts a genetic-evolutionary learning strategy to build a group…

机器学习 · 计算机科学 2018-06-06 Jiawei Zhang , Limeng Cui , Fisher B. Gouza

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

定量方法 · 定量生物学 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

This paper argues that generating output tokens is more effective than using pooled representations for prediction tasks because token-level generation retains more mutual information. Since LLMs are trained on massive text corpora using…

Deep model-based reinforcement learning methods offer a conceptually simple approach to the decision-making and control problem: use learning for the purpose of estimating an approximate dynamics model, and offload the rest of the work to…

机器学习 · 计算机科学 2023-07-13 Michael Janner

Artificial Intelligence algorithms have been steadily increasing in popularity and usage. Deep Learning, allows neural networks to be trained using huge datasets and also removes the need for human extracted features, as it automates the…

神经与进化计算 · 计算机科学 2020-05-11 Vasco Lopes , Paulo Fazendeiro

We show how fitting sparse linear models over learned deep feature representations can lead to more debuggable neural networks. These networks remain highly accurate while also being more amenable to human interpretation, as we demonstrate…

机器学习 · 计算机科学 2021-05-12 Eric Wong , Shibani Santurkar , Aleksander Mądry

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

生物大分子 · 定量生物学 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

In this paper, we propose a new method called ProfWeight for transferring information from a pre-trained deep neural network that has a high test accuracy to a simpler interpretable model or a very shallow network of low complexity and a…

机器学习 · 计算机科学 2018-11-20 Amit Dhurandhar , Karthikeyan Shanmugam , Ronny Luss , Peder Olsen

Deep Neural Networks (DNNs) have become increasingly popular in computer vision, natural language processing, and other areas. However, training and fine-tuning a deep learning model is computationally intensive and time-consuming. We…

机器学习 · 计算机科学 2018-07-04 Jiayi Liu , Samarth Tripathi , Unmesh Kurup , Mohak Shah

Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have…

机器学习 · 计算机科学 2020-10-27 Austin Tripp , Erik Daxberger , José Miguel Hernández-Lobato

Current unified multimodal models for image generation and editing typically rely on massive parameter scales (e.g., >10B), entailing prohibitive training costs and deployment footprints. In this work, we present DeepGen 1.0, a lightweight…

Generative neural samplers are probabilistic models that implement sampling using feedforward neural networks: they take a random input vector and produce a sample from a probability distribution defined by the network weights. These models…

机器学习 · 统计学 2016-06-03 Sebastian Nowozin , Botond Cseke , Ryota Tomioka

The intrinsic difficulty in adapting deep learning models to non-stationary environments limits the applicability of neural networks to real-world tasks. This issue is critical in practical supervised learning settings, such as the ones in…

机器学习 · 计算机科学 2023-06-09 Simone Marullo , Matteo Tiezzi , Marco Gori , Stefano Melacci , Tinne Tuytelaars

Deep learning methods have predominantly been applied to large artificial neural networks. Despite their state-of-the-art performance, these large networks typically do not generalize well to datasets with limited sample sizes. In this…

机器学习 · 统计学 2016-11-17 Eric Strobl , Shyam Visweswaran