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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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Biomolecules · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Quantitative Methods · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Neural and Evolutionary Computing · Computer Science 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…

Machine Learning · Computer Science 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…

Biomolecules · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 2016-11-17 Eric Strobl , Shyam Visweswaran