Neural network models generally involve two important components, i.e., network architecture and neuron model. Although there are abundant studies about network architectures, only a few neuron models have been developed, such as the MP neuron model developed in 1943 and the spiking neuron model developed in the 1950s. Recently, a new bio-plausible neuron model, Flexible Transmitter (FT) model, has been proposed. It exhibits promising behaviors, particularly on temporal-spatial signals, even when simply embedded into the common feedforward network architecture. This paper attempts to understand the properties of the FT network (FTNet) theoretically. Under mild assumptions, we show that: i) FTNet is a universal approximator; ii) the approximation complexity of FTNet can be exponentially smaller than those of commonly-used real-valued neural networks with feedforward/recurrent architectures and is of the same order in the worst case; iii) any local minimum of FTNet is the global minimum, implying that it is possible to identify global minima by local search algorithms.
The notion of concept drift refers to the phenomenon that the distribution generating the observed data changes over time. If drift is present, machine learning models may become inaccurate and need adjustment. Many technologies for learning with drift rely on the interleaved test-train error (ITTE) as a quantity which approximates the model generalization error and triggers drift detection and model updates. In this work, we investigate in how far this procedure is mathematically justified. More precisely, we relate a change of the ITTE to the presence of real drift, i.e., a changed posterior, and to a change of the training result under the assumption of optimality. We support our theoretical findings by empirical evidence for several learning algorithms, models, and datasets.
Many applications, such as system identification, classification of time series, direct and inverse problems in partial differential equations, and uncertainty quantification lead to the question of approximation of a non-linear operator between metric spaces $\mathfrak{X}$ and $\mathfrak{Y}$. We study the problem of determining the degree of approximation of such operators on a compact subset $K_\mathfrak{X}\subset \mathfrak{X}$ using a finite amount of information. If $\mathcal{F}: K_\mathfrak{X}\to K_\mathfrak{Y}$, a well established strategy to approximate $\mathcal{F}(F)$ for some $F\in K_\mathfrak{X}$ is to encode $F$ (respectively, $\mathcal{F}(F)$) in terms of a finite number $d$ (repectively $m$) of real numbers. Together with appropriate reconstruction algorithms (decoders), the problem reduces to the approximation of $m$ functions on a compact subset of a high dimensional Euclidean space $\mathbb{R}^d$, equivalently, the unit sphere $\mathbb{S}^d$ embedded in $\mathbb{R}^{d+1}$. The problem is challenging because $d$, $m$, as well as the complexity of the approximation on $\mathbb{S}^d$ are all large, and it is necessary to estimate the accuracy keeping track of the inter-dependence of all the approximations involved. In this paper, we establish constructive methods to do this efficiently; i.e., with the constants involved in the estimates on the approximation on $\mathbb{S}^d$ being $\mathcal{O}(d^{1/6})$. We study different smoothness classes for the operators, and also propose a method for approximation of $\mathcal{F}(F)$ using only information in a small neighborhood of $F$, resulting in an effective reduction in the number of parameters involved.
We are interested in estimating the uncertainties of deep neural networks, which play an important role in many scientific and engineering problems. In this paper, we present a striking new finding that an ensemble of neural networks with the same weight initialization, trained on datasets that are shifted by a constant bias gives rise to slightly inconsistent trained models, where the differences in predictions are a strong indicator of epistemic uncertainties. Using the neural tangent kernel (NTK), we demonstrate that this phenomena occurs in part because the NTK is not shift-invariant. Since this is achieved via a trivial input transformation, we show that this behavior can therefore be approximated by training a single neural network -- using a technique that we call $\Delta-$UQ -- that estimates uncertainty around prediction by marginalizing out the effect of the biases during inference. We show that $\Delta-$UQ's uncertainty estimates are superior to many of the current methods on a variety of benchmarks -- outlier rejection, calibration under distribution shift, and sequential design optimization of black box functions. Code for $\Delta-$UQ can be accessed at //github.com/LLNL/DeltaUQ
In many applications, we want to influence the decisions of independent agents by designing incentives for their actions. We revisit a fundamental problem in this area, called GAME IMPLEMENTATION: Given a game in standard form and a set of desired strategies, can we design a set of payment promises such that if the players take the payment promises into account, then all undominated strategies are desired? Furthermore, we aim to minimize the cost, that is, the worst-case amount of payments. We study the tractability of computing such payment promises and determine more closely what obstructions we may have to overcome in doing so. We show that GAME IMPLEMENTATION is NP-hard even for two players, solving in particular a long open question (Eidenbenz et al. 2011) and suggesting more restrictions are necessary to obtain tractability results. We thus study the regime in which players have only a small constant number of strategies and obtain the following. First, this case remains NP-hard even if each player's utility depends only on three others. Second, we repair a flawed efficient algorithm for the case of both small number of strategies and small number of players. Among further results, we characterize sets of desired strategies that can be implemented at zero cost as a kind of stable core of the game.
The use of counterfactual explanations (CFXs) is an increasingly popular explanation strategy for machine learning models. However, recent studies have shown that these explanations may not be robust to changes in the underlying model (e.g., following retraining), which raises questions about their reliability in real-world applications. Existing attempts towards solving this problem are heuristic, and the robustness to model changes of the resulting CFXs is evaluated with only a small number of retrained models, failing to provide exhaustive guarantees. To remedy this, we propose {\Delta}-robustness, the first notion to formally and deterministically assess the robustness (to model changes) of CFXs for neural networks. We introduce an abstraction framework based on interval neural networks to verify the {\Delta}-robustness of CFXs against a possibly infinite set of changes to the model parameters, i.e., weights and biases. We then demonstrate the utility of this approach in two distinct ways. First, we analyse the {\Delta}-robustness of a number of CFX generation methods from the literature and show that they unanimously host significant deficiencies in this regard. Second, we demonstrate how embedding {\Delta}-robustness within existing methods can provide CFXs which are provably robust.
Contrastive Learning has recently achieved state-of-the-art performance in a wide range of tasks. Many contrastive learning approaches use mined hard negatives to make batches more informative during training but these approaches are inefficient as they increase epoch length proportional to the number of mined negatives and require frequent updates of nearest neighbor indices or mining from recent batches. In this work, we provide an alternative to hard negative mining in supervised contrastive learning, Tail Batch Sampling (TBS), an efficient approximation to the batch assignment problem that upper bounds the gap between the global and training losses, $\mathcal{L}^{Global} - \mathcal{L}^{Train}$. TBS \textbf{improves state-of-the-art performance} in sentence embedding (+0.37 Spearman) and code-search tasks (+2.2\% MRR), is easy to implement - requiring only a few additional lines of code, does not maintain external data structures such as nearest neighbor indices, is more computationally efficient when compared to the most minimal hard negative mining approaches, and makes no changes to the model being trained.
Recently, a relative transfer function (RTF)-vector-based method has been proposed to estimate the direction of arrival (DOA) of a target speaker for a binaural hearing aid setup, assuming the availability of external microphones. This method exploits the external microphones to estimate the RTF vector corresponding to the binaural hearing aid and constructs a one-dimensional spatial spectrum by comparing the estimated RTF vector against a database of anechoic prototype RTF vectors for several directions. In this paper we assume the availability of a calibrated array of external microphones, which is characterized by a second database of anechoic prototype RTF vectors. We propose a method, where the external microphones are not only exploited to estimate the RTF vector corresponding to the binaural hearing aid but also assist in estimating the DOA of the target speaker. Based on the estimated RTF vector for all microphones and both prototype databases, a two-dimensional spatial spectrum is constructed from which the DOA is estimated. Experimental results for a reverberant environment with diffuse-like noise show that assisted DOA estimation outperforms DOA estimation where the prototype database characterizing the array of external microphones is not used.
We study the fundamental question of how to define and measure the distance from calibration for probabilistic predictors. While the notion of perfect calibration is well-understood, there is no consensus on how to quantify the distance from perfect calibration. Numerous calibration measures have been proposed in the literature, but it is unclear how they compare to each other, and many popular measures such as Expected Calibration Error (ECE) fail to satisfy basic properties like continuity. We present a rigorous framework for analyzing calibration measures, inspired by the literature on property testing. We propose a ground-truth notion of distance from calibration: the $\ell_1$ distance to the nearest perfectly calibrated predictor. We define a consistent calibration measure as one that is a polynomial factor approximation to the this distance. Applying our framework, we identify three calibration measures that are consistent and can be estimated efficiently: smooth calibration, interval calibration, and Laplace kernel calibration. The former two give quadratic approximations to the ground truth distance, which we show is information-theoretically optimal. Our work thus establishes fundamental lower and upper bounds on measuring distance to calibration, and also provides theoretical justification for preferring certain metrics (like Laplace kernel calibration) in practice.
Transfer learning uses a data model, trained to make predictions or inferences on data from one population, to make reliable predictions or inferences on data from another population. Most existing transfer learning approaches are based on fine-tuning pre-trained neural network models, and fail to provide crucial uncertainty quantification. We develop a statistical framework for model predictions based on transfer learning, called RECaST. The primary mechanism is a Cauchy random effect that recalibrates a source model to a target population; we mathematically and empirically demonstrate the validity of our RECaST approach for transfer learning between linear models, in the sense that prediction sets will achieve their nominal stated coverage, and we numerically illustrate the method's robustness to asymptotic approximations for nonlinear models. Whereas many existing techniques are built on particular source models, RECaST is agnostic to the choice of source model. For example, our RECaST transfer learning approach can be applied to a continuous or discrete data model with linear or logistic regression, deep neural network architectures, etc. Furthermore, RECaST provides uncertainty quantification for predictions, which is mostly absent in the literature. We examine our method's performance in a simulation study and in an application to real hospital data.
This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.