Characterizing the implicit structure of the computation within neural networks is a foundational problem in the area of deep learning interpretability. Can the inner decision process of neural networks be captured symbolically in some familiar logic? We show that any fixed-precision transformer neural network can be translated into an equivalent fixed-size $\mathsf{FO}(\mathsf{M})$ formula, i.e., a first-order logic formula that, in addition to standard universal and existential quantifiers, may also contain majority-vote quantifiers. The proof idea is to design highly uniform boolean threshold circuits that can simulate transformers, and then leverage known theoretical connections between circuits and logic. Our results reveal a surprisingly simple formalism for capturing the behavior of transformers, show that simple problems like integer division are "transformer-hard", and provide valuable insights for comparing transformers to other models like RNNs. Our results suggest that first-order logic with majority may be a useful language for expressing programs extracted from transformers.
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Search-optimization problems are plentiful in scientific and engineering domains. Artificial intelligence has long contributed to the development of search algorithms and declarative programming languages geared toward solving and modeling search-optimization problems. Automated reasoning and knowledge representation are the subfields of AI that are particularly vested in these developments. Many popular automated reasoning paradigms provide users with languages supporting optimization statements: answer set programming or MaxSAT on minone, to name a few. These paradigms vary significantly in their languages and in the ways they express quality conditions on computed solutions. Here we propose a unifying framework of so-called weight systems that eliminates syntactic distinctions between paradigms and allows us to see essential similarities and differences between optimization statements provided by paradigms. This unifying outlook has significant simplifying and explanatory potential in the studies of optimization and modularity in automated reasoning and knowledge representation. It also supplies researchers with a convenient tool for proving the formal properties of distinct frameworks; bridging these frameworks; and facilitating the development of translational solvers.
We study the problem of semantic segmentation calibration. Lots of solutions have been proposed to approach model miscalibration of confidence in image classification. However, to date, confidence calibration research on semantic segmentation is still limited. We provide a systematic study on the calibration of semantic segmentation models and propose a simple yet effective approach. First, we find that model capacity, crop size, multi-scale testing, and prediction correctness have impact on calibration. Among them, prediction correctness, especially misprediction, is more important to miscalibration due to over-confidence. Next, we propose a simple, unifying, and effective approach, namely selective scaling, by separating correct/incorrect prediction for scaling and more focusing on misprediction logit smoothing. Then, we study popular existing calibration methods and compare them with selective scaling on semantic segmentation calibration. We conduct extensive experiments with a variety of benchmarks on both in-domain and domain-shift calibration, and show that selective scaling consistently outperforms other methods.
Image-mixing augmentations (e.g., Mixup and CutMix), which typically involve mixing two images, have become the de-facto training techniques for image classification. Despite their huge success in image classification, the number of images to be mixed has not been elucidated in the literature: only the naive K-image expansion has been shown to lead to performance degradation. This study derives a new K-image mixing augmentation based on the stick-breaking process under Dirichlet prior distribution. We demonstrate the superiority of our K-image expansion augmentation over conventional two-image mixing augmentation methods through extensive experiments and analyses: (1) more robust and generalized classifiers; (2) a more desirable loss landscape shape; (3) better adversarial robustness. Moreover, we show that our probabilistic model can measure the sample-wise uncertainty and boost the efficiency for network architecture search by achieving a 7-fold reduction in the search time. Code will be available at //github.com/yjyoo3312/DCutMix-PyTorch.git.
Unsupervised domain adaptation has recently emerged as an effective paradigm for generalizing deep neural networks to new target domains. However, there is still enormous potential to be tapped to reach the fully supervised performance. In this paper, we present a novel active learning strategy to assist knowledge transfer in the target domain, dubbed active domain adaptation. We start from an observation that energy-based models exhibit free energy biases when training (source) and test (target) data come from different distributions. Inspired by this inherent mechanism, we empirically reveal that a simple yet efficient energy-based sampling strategy sheds light on selecting the most valuable target samples than existing approaches requiring particular architectures or computation of the distances. Our algorithm, Energy-based Active Domain Adaptation (EADA), queries groups of targe data that incorporate both domain characteristic and instance uncertainty into every selection round. Meanwhile, by aligning the free energy of target data compact around the source domain via a regularization term, domain gap can be implicitly diminished. Through extensive experiments, we show that EADA surpasses state-of-the-art methods on well-known challenging benchmarks with substantial improvements, making it a useful option in the open world. Code is available at //github.com/BIT-DA/EADA.
Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.
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.
Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.
Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.
This paper aims at revisiting Graph Convolutional Neural Networks by bridging the gap between spectral and spatial design of graph convolutions. We theoretically demonstrate some equivalence of the graph convolution process regardless it is designed in the spatial or the spectral domain. The obtained general framework allows to lead a spectral analysis of the most popular ConvGNNs, explaining their performance and showing their limits. Moreover, the proposed framework is used to design new convolutions in spectral domain with a custom frequency profile while applying them in the spatial domain. We also propose a generalization of the depthwise separable convolution framework for graph convolutional networks, what allows to decrease the total number of trainable parameters by keeping the capacity of the model. To the best of our knowledge, such a framework has never been used in the GNNs literature. Our proposals are evaluated on both transductive and inductive graph learning problems. Obtained results show the relevance of the proposed method and provide one of the first experimental evidence of transferability of spectral filter coefficients from one graph to another. Our source codes are publicly available at: //github.com/balcilar/Spectral-Designed-Graph-Convolutions
Generating texts which express complex ideas spanning multiple sentences requires a structured representation of their content (document plan), but these representations are prohibitively expensive to manually produce. In this work, we address the problem of generating coherent multi-sentence texts from the output of an information extraction system, and in particular a knowledge graph. Graphical knowledge representations are ubiquitous in computing, but pose a significant challenge for text generation techniques due to their non-hierarchical nature, collapsing of long-distance dependencies, and structural variety. We introduce a novel graph transforming encoder which can leverage the relational structure of such knowledge graphs without imposing linearization or hierarchical constraints. Incorporated into an encoder-decoder setup, we provide an end-to-end trainable system for graph-to-text generation that we apply to the domain of scientific text. Automatic and human evaluations show that our technique produces more informative texts which exhibit better document structure than competitive encoder-decoder methods.
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