Search Results for author: Nathan O. Hodas

Found 15 papers, 4 papers with code

One Representation to Rule Them All: Identifying Out-of-Support Examples in Few-shot Learning with Generic Representations

no code implementations2 Jun 2021 Henry Kvinge, Scott Howland, Nico Courts, Lauren A. Phillips, John Buckheit, Zachary New, Elliott Skomski, Jung H. Lee, Sandeep Tiwari, Jessica Hibler, Courtney D. Corley, Nathan O. Hodas

We describe how this problem is subtly different from out-of-distribution detection and describe a new method of identifying OOS examples within the Prototypical Networks framework using a fixed point which we call the generic representation.

Few-Shot Learning Out-of-Distribution Detection

The Outer Product Structure of Neural Network Derivatives

no code implementations9 Oct 2018 Craig Bakker, Michael J. Henry, Nathan O. Hodas

In this paper, we show that feedforward and recurrent neural networks exhibit an outer product derivative structure but that convolutional neural networks do not.

Doing the impossible: Why neural networks can be trained at all

no code implementations13 May 2018 Nathan O. Hodas, Panos Stinis

We show that adding structure to the neural network that enforces higher mutual information between layers speeds training and leads to more accurate results.

Protein Folding

Few-Shot Learning with Metric-Agnostic Conditional Embeddings

no code implementations12 Feb 2018 Nathan Hilliard, Lawrence Phillips, Scott Howland, Artëm Yankov, Courtney D. Corley, Nathan O. Hodas

Learning high quality class representations from few examples is a key problem in metric-learning approaches to few-shot learning.

Few-Shot Learning General Classification +1

SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties

4 code implementations6 Dec 2017 Garrett B. Goh, Nathan O. Hodas, Charles Siegel, Abhinav Vishnu

Chemical databases store information in text representations, and the SMILES format is a universal standard used in many cheminformatics software.

Bayesian Optimization Feature Engineering

How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?

2 code implementations5 Oct 2017 Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan Baker

The meteoric rise of deep learning models in computer vision research, having achieved human-level accuracy in image recognition tasks is firm evidence of the impact of representation learning of deep neural networks.

Representation Learning

Dynamic Input Structure and Network Assembly for Few-Shot Learning

no code implementations22 Aug 2017 Nathan Hilliard, Nathan O. Hodas, Courtney D. Corley

The ability to learn from a small number of examples has been a difficult problem in machine learning since its inception.

Few-Shot Learning

Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models

2 code implementations20 Jun 2017 Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan Baker

We then show how Chemception can serve as a general-purpose neural network architecture for predicting toxicity, activity, and solvation properties when trained on a modest database of 600 to 40, 000 compounds.

Feature Engineering Image Classification +2

Deep Learning for Computational Chemistry

no code implementations17 Jan 2017 Garrett B. Goh, Nathan O. Hodas, Abhinav Vishnu

The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry.

BIG-bench Machine Learning Property Prediction +3

Mutual information for fitting deep nonlinear models

no code implementations17 Dec 2016 Jacob S. Hunter, Nathan O. Hodas

In the present work we investigate the use of information theoretic measures such as mutual information and Kullback-Leibler (KL) divergence as objective functions for fitting such models without knowledge of the hidden layer.

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