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Due to the widespread use of complex machine learning models in real-world applications, it is becoming critical to explain model predictions. However, these models are typically black-box deep neural networks, explained post-hoc via methods with known faithfulness limitations. Generalized Additive Models (GAMs) are an inherently interpretable class of models that address this limitation by learning a non-linear shape function for each feature separately, followed by a linear model on top. However, these models are typically difficult to train, require numerous parameters, and are difficult to scale. We propose an entirely new subfamily of GAMs that utilizes basis decomposition of shape functions. A small number of basis functions are shared among all features, and are learned jointly for a given task, thus making our model scale much better to large-scale data with high-dimensional features, especially when features are sparse. We propose an architecture denoted as the Neural Basis Model (NBM) which uses a single neural network to learn these bases. On a variety of tabular and image datasets, we demonstrate that for interpretable machine learning, NBMs are the state-of-the-art in accuracy, model size, and, throughput and can easily model all higher-order feature interactions. Source code is available at //github.com/facebookresearch/nbm-spam.

Network compression is crucial to making the deep networks to be more efficient, faster, and generalizable to low-end hardware. Current network compression methods have two open problems: first, there lacks a theoretical framework to estimate the maximum compression rate; second, some layers may get over-prunned, resulting in significant network performance drop. To solve these two problems, this study propose a gradient-matrix singularity analysis-based method to estimate the maximum network redundancy. Guided by that maximum rate, a novel and efficient hierarchical network pruning algorithm is developed to maximally condense the neuronal network structure without sacrificing network performance. Substantial experiments are performed to demonstrate the efficacy of the new method for pruning several advanced convolutional neural network (CNN) architectures. Compared to existing pruning methods, the proposed pruning algorithm achieved state-of-the-art performance. At the same or similar compression ratio, the new method provided the highest network prediction accuracy as compared to other methods.

Modern approaches to supervised learning like deep neural networks (DNNs) typically implicitly assume that observed responses are statistically independent. In contrast, correlated data are prevalent in real-life large-scale applications, with typical sources of correlation including spatial, temporal and clustering structures. These correlations are either ignored by DNNs, or ad-hoc solutions are developed for specific use cases. We propose to use the mixed models framework to handle correlated data in DNNs. By treating the effects underlying the correlation structure as random effects, mixed models are able to avoid overfitted parameter estimates and ultimately yield better predictive performance. The key to combining mixed models and DNNs is using the Gaussian negative log-likelihood (NLL) as a natural loss function that is minimized with DNN machinery including stochastic gradient descent (SGD). Since NLL does not decompose like standard DNN loss functions, the use of SGD with NLL presents some theoretical and implementation challenges, which we address. Our approach which we call LMMNN is demonstrated to improve performance over natural competitors in various correlation scenarios on diverse simulated and real datasets. Our focus is on a regression setting and tabular datasets, but we also show some results for classification. Our code is available at //github.com/gsimchoni/lmmnn.

Most machine learning methods are used as a black box for modelling. We may try to extract some knowledge from physics-based training methods, such as neural ODE (ordinary differential equation). Neural ODE has advantages like a possibly higher class of represented functions, the extended interpretability compared to black-box machine learning models, ability to describe both trend and local behaviour. Such advantages are especially critical for time series with complicated trends. However, the known drawback is the high training time compared to the autoregressive models and long-short term memory (LSTM) networks widely used for data-driven time series modelling. Therefore, we should be able to balance interpretability and training time to apply neural ODE in practice. The paper shows that modern neural ODE cannot be reduced to simpler models for time-series modelling applications. The complexity of neural ODE is compared to or exceeds the conventional time-series modelling tools. The only interpretation that could be extracted is the eigenspace of the operator, which is an ill-posed problem for a large system. Spectra could be extracted using different classical analysis methods that do not have the drawback of extended time. Consequently, we reduce the neural ODE to a simpler linear form and propose a new view on time-series modelling using combined neural networks and an ODE system approach.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

This paper proposes a generic method to learn interpretable convolutional filters in a deep convolutional neural network (CNN) for object classification, where each interpretable filter encodes features of a specific object part. Our method does not require additional annotations of object parts or textures for supervision. Instead, we use the same training data as traditional CNNs. Our method automatically assigns each interpretable filter in a high conv-layer with an object part of a certain category during the learning process. Such explicit knowledge representations in conv-layers of CNN help people clarify the logic encoded in the CNN, i.e., answering what patterns the CNN extracts from an input image and uses for prediction. We have tested our method using different benchmark CNNs with various structures to demonstrate the broad applicability of our method. Experiments have shown that our interpretable filters are much more semantically meaningful than traditional filters.

With the rapid increase of large-scale, real-world datasets, it becomes critical to address the problem of long-tailed data distribution (i.e., a few classes account for most of the data, while most classes are under-represented). Existing solutions typically adopt class re-balancing strategies such as re-sampling and re-weighting based on the number of observations for each class. In this work, we argue that as the number of samples increases, the additional benefit of a newly added data point will diminish. We introduce a novel theoretical framework to measure data overlap by associating with each sample a small neighboring region rather than a single point. The effective number of samples is defined as the volume of samples and can be calculated by a simple formula $(1-\beta^{n})/(1-\beta)$, where $n$ is the number of samples and $\beta \in [0,1)$ is a hyperparameter. We design a re-weighting scheme that uses the effective number of samples for each class to re-balance the loss, thereby yielding a class-balanced loss. Comprehensive experiments are conducted on artificially induced long-tailed CIFAR datasets and large-scale datasets including ImageNet and iNaturalist. Our results show that when trained with the proposed class-balanced loss, the network is able to achieve significant performance gains on long-tailed datasets.

In structure learning, the output is generally a structure that is used as supervision information to achieve good performance. Considering the interpretation of deep learning models has raised extended attention these years, it will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks (RNNs) whose inner mechanism is still not clearly understood. We find that Finite State Automaton (FSA) that processes sequential data has more interpretable inner mechanism and can be learned from RNNs as the interpretable structure. We propose two methods to learn FSA from RNN based on two different clustering methods. We first give the graphical illustration of FSA for human beings to follow, which shows the interpretability. From the FSA's point of view, we then analyze how the performance of RNNs are affected by the number of gates, as well as the semantic meaning behind the transition of numerical hidden states. Our results suggest that RNNs with simple gated structure such as Minimal Gated Unit (MGU) is more desirable and the transitions in FSA leading to specific classification result are associated with corresponding words which are understandable by human beings.

This paper proposes a method to modify traditional convolutional neural networks (CNNs) into interpretable CNNs, in order to clarify knowledge representations in high conv-layers of CNNs. In an interpretable CNN, each filter in a high conv-layer represents a certain object part. We do not need any annotations of object parts or textures to supervise the learning process. Instead, the interpretable CNN automatically assigns each filter in a high conv-layer with an object part during the learning process. Our method can be applied to different types of CNNs with different structures. The clear knowledge representation in an interpretable CNN can help people understand the logics inside a CNN, i.e., based on which patterns the CNN makes the decision. Experiments showed that filters in an interpretable CNN were more semantically meaningful than those in traditional CNNs.