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 nonlinearity





Contrastive losses as generalized models of global epistasis

Neural Information Processing Systems

Fitness functions map large combinatorial spaces of biological sequences to properties of interest. Inferring these multimodal functions from experimental data is a central task in modern protein engineering. Global epistasis models are an effective and physically-grounded class of models for estimating fitness functions from observed data. These models assume that a sparse latent function is transformed by a monotonic nonlinearity to emit measurable fitness. Here we demonstrate that minimizing supervised contrastive loss functions, such as the Bradley-Terry loss, is a simple and flexible technique for extracting the sparse latent function implied by global epistasis. We argue by way of a fitness-epistasis uncertainty principle that the nonlinearities in global epistasis models can produce observed fitness functions that do not admit sparse representations, and thus may be inefficient to learn from observations when using a Mean Squared Error (MSE) loss (a common practice). We show that contrastive losses are able to accurately estimate a ranking function from limited data even in regimes where MSE is ineffective and validate the practical utility of this insight by demonstrating that contrastive loss functions result in consistently improved performance on empirical benchmark tasks.


Spectral-Risk Safe Reinforcement Learning with Convergence Guarantees

Neural Information Processing Systems

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Improved Expressivity Through Dendritic Neural Networks

Neural Information Processing Systems

A typical biological neuron, such as a pyramidal neuron of the neocortex, receives thousands of afferent synaptic inputs on its dendrite tree and sends the efferent axonal output downstream. In typical artificial neural networks, dendrite trees are modeled as linear structures that funnel weighted synaptic inputs to the cell bodies. However, numerous experimental and theoretical studies have shown that dendritic arbors are far more than simple linear accumulators. That is, synaptic inputs can actively modulate their neighboring synaptic activities; therefore, the dendritic structures are highly nonlinear. In this study, we model such local nonlinearity of dendritic trees with our dendritic neural network (DENN) structure and apply this structure to typical machine learning tasks. Equipped with localized nonlinearities, DENNs can attain greater model expressivity than regular neural networks while maintaining efficient network inference. Such strength is evidenced by the increased fitting power when we train DENNs with supervised machine learning tasks. We also empirically show that the locality structure can improve the generalization performance of DENNs, as exemplified by DENNs outranking naive deep neural network architectures when tested on 121 classification tasks from the UCI machine learning repository.


Scaling provable adversarial defenses

Neural Information Processing Systems

Recent work has developed methods for learning deep network classifiers that are \emph{provably} robust to norm-bounded adversarial perturbation; however, these methods are currently only possible for relatively small feedforward networks. In this paper, in an effort to scale these approaches to substantially larger models, we extend previous work in three main directly. First, we present a technique for extending these training procedures to much more general networks, with skip connections (such as ResNets) and general nonlinearities; the approach is fully modular, and can be implemented automatically analogously to automatic differentiation. Second, in the specific case of $\ell_\infty$ adversarial perturbations and networks with ReLU nonlinearities, we adopt a nonlinear random projection for training, which scales \emph{linearly} in the number of hidden units (previous approached scaled quadratically). Third, we show how to further improve robust error through cascade models. On both MNIST and CIFAR data sets, we train classifiers that improve substantially on the state of the art in provable robust adversarial error bounds: from 5.8% to 3.1% on MNIST (with $\ell_\infty$ perturbations of $\epsilon=0.1$),


The Geometry of Deep Networks: Power Diagram Subdivision

Neural Information Processing Systems

We study the geometry of deep (neural) networks (DNs) with piecewise affine and convex nonlinearities. The layers of such DNs have been shown to be max-affine spline operators (MASOs) that partition their input space and apply a region-dependent affine mapping to their input to produce their output. We demonstrate that each MASO layer's input space partitioning corresponds to a power diagram (an extension of the classical Voronoi tiling) with a number of regions that grows exponentially with respect to the number of units (neurons). We further show that a composition of MASO layers (e.g., the entire DN) produces a progressively subdivided power diagram and provide its analytical form. The subdivision process constrains the affine maps on the potentially exponentially many power diagram regions with respect to the number of neurons to greatly reduce their complexity. For classification problems, we obtain a formula for a MASO DN's decision boundary in the input space plus a measure of its curvature that depends on the DN's nonlinearities, weights, and architecture. Numerous numerical experiments support and extend our theoretical results.


Tensor decompositions of higher-order correlations by nonlinear Hebbian plasticity

Neural Information Processing Systems

Biological synaptic plasticity exhibits nonlinearities that are not accounted for by classic Hebbian learning rules. Here, we introduce a simple family of generalized nonlinear Hebbian learning rules. We study the computations implemented by their dynamics in the simple setting of a neuron receiving feedforward inputs. These nonlinear Hebbian rules allow a neuron to learn tensor decompositions of its higher-order input correlations. The particular input correlation decomposed and the form of the decomposition depend on the location of nonlinearities in the plasticity rule.


General Nonlinearities in SO(2)-Equivariant CNNs

Neural Information Processing Systems

Invariance under symmetry is an important problem in machine learning. Our paper looks specifically at equivariant neural networks where transformations of inputs yield homomorphic transformations of outputs. Here, steerable CNNs have emerged as the standard solution. An inherent problem of steerable representations is that general nonlinear layers break equivariance, thus restricting architectural choices. Our paper applies harmonic distortion analysis to illuminate the effect of nonlinearities on Fourier representations of SO(2). We develop a novel FFT-based algorithm for computing representations of non-linearly transformed activations while maintaining band-limitation. It yields exact equivariance for polynomial (approximations of) nonlinearities, as well as approximate solutions with tunable accuracy for general functions. We apply the approach to build a fully E(3)-equivariant network for sampled 3D surface data. In experiments with 2D and 3D data, we obtain results that compare favorably to the state-of-the-art in terms of accuracy while permitting continuous symmetry and exact equivariance.