arXiv subjects

George E. Dahl

Publications and source records attributed to George E. Dahl.

29 records · Page 2Linked to original sources

arXiv2018

Motivating the Rules of the Game for Adversarial Example Research

Advances in machine learning have led to broad deployment of systems with impressive performance on important problems. Nonetheless, these systems can be induced to make errors on data that are surprisingly similar to examples the learned system handles correctly. The existence of these errors raises a variety of questions about out-of-sample generalization and whether bad actors might use such examples to abuse deployed systems. As a result of these security concerns, there has been a flurry of recent papers proposing algorithms to defend against such malicious perturbations of correctly handled examples. It is unclear how such misclassifications represent a different kind of security problem than other errors, or even other attacker-produced examples that have no specific relationship to an uncorrupted input. In this paper, we argue that adversarial example defense papers have, to date, mostly considered abstract, toy games that do not relate to any specific security concern. Furthermore, defense papers have not yet precisely described all the abilities and limitations of attackers that would be relevant in practical security. Towards this end, we establish a taxonomy of motivations, constraints, and abilities for more plausible adversaries. Finally, we provide a series of recommendations outlining a path forward for future work to more clearly articulate the threat model and perform more meaningful evaluation.

cs.LG↗

arXiv2018

Embedding Text in Hyperbolic Spaces

Natural language text exhibits hierarchical structure in a variety of respects. Ideally, we could incorporate our prior knowledge of this hierarchical structure into unsupervised learning algorithms that work on text data. Recent work by Nickel & Kiela (2017) proposed using hyperbolic instead of Euclidean embedding spaces to represent hierarchical data and demonstrated encouraging results when embedding graphs. In this work, we extend their method with a re-parameterization technique that allows us to learn hyperbolic embeddings of arbitrarily parameterized objects. We apply this framework to learn word and sentence embeddings in hyperbolic space in an unsupervised manner from text corpora. The resulting embeddings seem to encode certain intuitive notions of hierarchy, such as word-context frequency and phrase constituency. However, the implicit continuous hierarchy in the learned hyperbolic space makes interrogating the model's learned hierarchies more difficult than for models that learn explicit edges between items. The learned hyperbolic embeddings show improvements over Euclidean embeddings in some -- but not all -- downstream tasks, suggesting that hierarchical organization is more useful for some tasks than others.

cs.CL↗

arXiv2018

Parallel Architecture and Hyperparameter Search via Successive Halving and Classification

We present a simple and powerful algorithm for parallel black box optimization called Successive Halving and Classification (SHAC). The algorithm operates in $K$ stages of parallel function evaluations and trains a cascade of binary classifiers to iteratively cull the undesirable regions of the search space. SHAC is easy to implement, requires no tuning of its own configuration parameters, is invariant to the scale of the objective function and can be built using any choice of binary classifier. We adopt tree-based classifiers within SHAC and achieve competitive performance against several strong baselines for optimizing synthetic functions, hyperparameters and architectures.

cs.CV↗

arXiv2017

Neural Message Passing for Quantum Chemistry

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already been described in the literature. These models learn a message passing algorithm and aggregation procedure to compute a function of their entire input graph. At this point, the next step is to find a particularly effective variant of this general approach and apply it to chemical prediction benchmarks until we either solve them or reach the limits of the approach. In this paper, we reformulate existing models into a single common framework we call Message Passing Neural Networks (MPNNs) and explore additional novel variations within this framework. Using MPNNs we demonstrate state of the art results on an important molecular property prediction benchmark; these results are strong enough that we believe future work should focus on datasets with larger molecules or more accurate ground truth labels.

cs.LG↗

arXiv2017

Machine learning prediction errors better than DFT accuracy

We investigate the impact of choosing regressors and molecular representations for the construction of fast machine learning (ML) models of thirteen electronic ground-state properties of organic molecules. The performance of each regressor/representation/property combination is assessed using learning curves which report out-of-sample errors as a function of training set size with up to $\sim$117k distinct molecules. Molecular structures and properties at hybrid density functional theory (DFT) level of theory used for training and testing come from the QM9 database [Ramakrishnan et al, {\em Scientific Data} {\bf 1} 140022 (2014)] and include dipole moment, polarizability, HOMO/LUMO energies and gap, electronic spatial extent, zero point vibrational energy, enthalpies and free energies of atomization, heat capacity and the highest fundamental vibrational frequency. Various representations from the literature have been studied (Coulomb matrix, bag of bonds, BAML and ECFP4, molecular graphs (MG)), as well as newly developed distribution based variants including histograms of distances (HD), and angles (HDA/MARAD), and dihedrals (HDAD). Regressors include linear models (Bayesian ridge regression (BR) and linear regression with elastic net regularization (EN)), random forest (RF), kernel ridge regression (KRR) and two types of neural net works, graph convolutions (GC) and gated graph networks (GG). We present numerical evidence that ML model predictions deviate from DFT less than DFT deviates from experiment for all properties. Furthermore, our out-of-sample prediction errors with respect to hybrid DFT reference are on par with, or close to, chemical accuracy. Our findings suggest that ML models could be more accurate than hybrid DFT if explicitly electron correlated quantum (or experimental) data was available.

physics.chem-ph↗

arXiv2017

Detecting Cancer Metastases on Gigapixel Pathology Images

Each year, the treatment decisions for more than 230,000 breast cancer patients in the U.S. hinge on whether the cancer has metastasized away from the breast. Metastasis detection is currently performed by pathologists reviewing large expanses of biological tissues. This process is labor intensive and error-prone. We present a framework to automatically detect and localize tumors as small as 100 x 100 pixels in gigapixel microscopy images sized 100,000 x 100,000 pixels. Our method leverages a convolutional neural network (CNN) architecture and obtains state-of-the-art results on the Camelyon16 dataset in the challenging lesion-level tumor detection task. At 8 false positives per image, we detect 92.4% of the tumors, relative to 82.7% by the previous best automated approach. For comparison, a human pathologist attempting exhaustive search achieved 73.2% sensitivity. We achieve image-level AUC scores above 97% on both the Camelyon16 test set and an independent set of 110 slides. In addition, we discover that two slides in the Camelyon16 training set were erroneously labeled normal. Our approach could considerably reduce false negative rates in metastasis detection.

cs.CV↗

arXiv2014

Incorporating Side Information in Probabilistic Matrix Factorization with Gaussian Processes

Probabilistic matrix factorization (PMF) is a powerful method for modeling data associ- ated with pairwise relationships, Finding use in collaborative Filtering, computational bi- ology, and document analysis, among other areas. In many domains, there are additional covariates that can assist in prediction. For example, when modeling movie ratings, we might know when the rating occurred, where the user lives, or what actors appear in the movie. It is difficult, however, to incorporate this side information into the PMF model. We propose a framework for incorporating side information by coupling together multi- ple PMF problems via Gaussian process priors. We replace scalar latent features with func- tions that vary over the covariate space. The GP priors on these functions require them to vary smoothly and share information. We apply this new method to predict the scores of professional basketball games, where side information about the venue and date of the game are relevant for the outcome.

cs.LG↗

arXiv2014

Multi-task Neural Networks for QSAR Predictions

Although artificial neural networks have occasionally been used for Quantitative Structure-Activity/Property Relationship (QSAR/QSPR) studies in the past, the literature has of late been dominated by other machine learning techniques such as random forests. However, a variety of new neural net techniques along with successful applications in other domains have renewed interest in network approaches. In this work, inspired by the winning team's use of neural networks in a recent QSAR competition, we used an artificial neural network to learn a function that predicts activities of compounds for multiple assays at the same time. We conducted experiments leveraging recent methods for dealing with overfitting in neural networks as well as other tricks from the neural networks literature. We compared our methods to alternative methods reported to perform well on these tasks and found that our neural net methods provided superior performance.

stat.ML↗

arXiv2013

Improvements to deep convolutional neural networks for LVCSR

Deep Convolutional Neural Networks (CNNs) are more powerful than Deep Neural Networks (DNN), as they are able to better reduce spectral variation in the input signal. This has also been confirmed experimentally, with CNNs showing improvements in word error rate (WER) between 4-12% relative compared to DNNs across a variety of LVCSR tasks. In this paper, we describe different methods to further improve CNN performance. First, we conduct a deep analysis comparing limited weight sharing and full weight sharing with state-of-the-art features. Second, we apply various pooling strategies that have shown improvements in computer vision to an LVCSR speech task. Third, we introduce a method to effectively incorporate speaker adaptation, namely fMLLR, into log-mel features. Fourth, we introduce an effective strategy to use dropout during Hessian-free sequence training. We find that with these improvements, particularly with fMLLR and dropout, we are able to achieve an additional 2-3% relative improvement in WER on a 50-hour Broadcast News task over our previous best CNN baseline. On a larger 400-hour BN task, we find an additional 4-5% relative improvement over our previous best CNN baseline.

cs.LG↗

arXiv2012

Training Restricted Boltzmann Machines on Word Observations

The restricted Boltzmann machine (RBM) is a flexible tool for modeling complex data, however there have been significant computational difficulties in using RBMs to model high-dimensional multinomial observations. In natural language processing applications, words are naturally modeled by K-ary discrete distributions, where K is determined by the vocabulary size and can easily be in the hundreds of thousands. The conventional approach to training RBMs on word observations is limited because it requires sampling the states of K-way softmax visible units during block Gibbs updates, an operation that takes time linear in K. In this work, we address this issue by employing a more general class of Markov chain Monte Carlo operators on the visible units, yielding updates with computational complexity independent of K. We demonstrate the success of our approach by training RBMs on hundreds of millions of word n-grams using larger vocabularies than previously feasible and using the learned features to improve performance on chunking and sentiment classification tasks, achieving state-of-the-art results on the latter.

cs.LG↗

arXiv2010

Incorporating Side Information in Probabilistic Matrix Factorization with Gaussian Processes

Probabilistic matrix factorization (PMF) is a powerful method for modeling data associated with pairwise relationships, finding use in collaborative filtering, computational biology, and document analysis, among other areas. In many domains, there is additional information that can assist in prediction. For example, when modeling movie ratings, we might know when the rating occurred, where the user lives, or what actors appear in the movie. It is difficult, however, to incorporate this side information into the PMF model. We propose a framework for incorporating side information by coupling together multiple PMF problems via Gaussian process priors. We replace scalar latent features with functions that vary over the space of side information. The GP priors on these functions require them to vary smoothly and share information. We successfully use this new method to predict the scores of professional basketball games, where side information about the venue and date of the game are relevant for the outcome.

stat.ML↗