arXiv subjects

Zico Kolter

Publications and source records attributed to Zico Kolter.

41 records · Page 3Linked to original sources

arXiv2020

A community-powered search of machine learning strategy space to find NMR property prediction models

The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can be difficult to assess in advance what strategy to adopt within a vast space of possibilities. Here we outline the results of an online community-powered effort to swarm search the space of ML strategies and develop algorithms for predicting atomic-pairwise nuclear magnetic resonance (NMR) properties in molecules. Using an open-source dataset, we worked with Kaggle to design and host a 3-month competition which received 47,800 ML model predictions from 2,700 teams in 84 countries. Within 3 weeks, the Kaggle community produced models with comparable accuracy to our best previously published "in-house" efforts. A meta-ensemble model constructed as a linear combination of the top predictions has a prediction accuracy which exceeds that of any individual model, 7-19x better than our previous state-of-the-art. The results highlight the potential of transformer architectures for predicting quantum mechanical (QM) molecular properties.

physics.comp-ph↗

arXiv2020

Provably robust deep generative models

Recent work in adversarial attacks has developed provably robust methods for training deep neural network classifiers. However, although they are often mentioned in the context of robustness, deep generative models themselves have received relatively little attention in terms of formally analyzing their robustness properties. In this paper, we propose a method for training provably robust generative models, specifically a provably robust version of the variational auto-encoder (VAE). To do so, we first formally define a (certifiably) robust lower bound on the variational lower bound of the likelihood, and then show how this bound can be optimized during training to produce a robust VAE. We evaluate the method on simple examples, and show that it is able to produce generative models that are substantially more robust to adversarial attacks (i.e., an adversary trying to perturb inputs so as to drastically lower their likelihood under the model).

cs.LG↗

arXiv2019

Differentiable Convex Optimization Layers

Recent work has shown how to embed differentiable optimization problems (that is, problems whose solutions can be backpropagated through) as layers within deep learning architectures. This method provides a useful inductive bias for certain problems, but existing software for differentiable optimization layers is rigid and difficult to apply to new settings. In this paper, we propose an approach to differentiating through disciplined convex programs, a subclass of convex optimization problems used by domain-specific languages (DSLs) for convex optimization. We introduce disciplined parametrized programming, a subset of disciplined convex programming, and we show that every disciplined parametrized program can be represented as the composition of an affine map from parameters to problem data, a solver, and an affine map from the solver's solution to a solution of the original problem (a new form we refer to as affine-solver-affine form). We then demonstrate how to efficiently differentiate through each of these components, allowing for end-to-end analytical differentiation through the entire convex program. We implement our methodology in version 1.1 of CVXPY, a popular Python-embedded DSL for convex optimization, and additionally implement differentiable layers for disciplined convex programs in PyTorch and TensorFlow 2.0. Our implementation significantly lowers the barrier to using convex optimization problems in differentiable programs. We present applications in linear machine learning models and in stochastic control, and we show that our layer is competitive (in execution time) compared to specialized differentiable solvers from past work.

cs.LG↗

arXiv2019

On Physical Adversarial Patches for Object Detection

In this paper, we demonstrate a physical adversarial patch attack against object detectors, notably the YOLOv3 detector. Unlike previous work on physical object detection attacks, which required the patch to overlap with the objects being misclassified or avoiding detection, we show that a properly designed patch can suppress virtually all the detected objects in the image. That is, we can place the patch anywhere in the image, causing all existing objects in the image to be missed entirely by the detector, even those far away from the patch itself. This in turn opens up new lines of physical attacks against object detection systems, which require no modification of the objects in a scene. A demo of the system can be found at https://youtu.be/WXnQjbZ1e7Y.

cs.CV↗

arXiv2019

SATNet: Bridging deep learning and logical reasoning using a differentiable satisfiability solver

Integrating logical reasoning within deep learning architectures has been a major goal of modern AI systems. In this paper, we propose a new direction toward this goal by introducing a differentiable (smoothed) maximum satisfiability (MAXSAT) solver that can be integrated into the loop of larger deep learning systems. Our (approximate) solver is based upon a fast coordinate descent approach to solving the semidefinite program (SDP) associated with the MAXSAT problem. We show how to analytically differentiate through the solution to this SDP and efficiently solve the associated backward pass. We demonstrate that by integrating this solver into end-to-end learning systems, we can learn the logical structure of challenging problems in a minimally supervised fashion. In particular, we show that we can learn the parity function using single-bit supervision (a traditionally hard task for deep networks) and learn how to play 9x9 Sudoku solely from examples. We also solve a "visual Sudok" problem that maps images of Sudoku puzzles to their associated logical solutions by combining our MAXSAT solver with a traditional convolutional architecture. Our approach thus shows promise in integrating logical structures within deep learning.

cs.LG↗