Deep learning methods have demonstrated outstanding performances on classification and regression tasks on homogeneous data types (e.g., image, audio, and text data). However, tabular data still pose a challenge, with classic machine learning approaches being often computationally cheaper and equally effective than increasingly complex deep learning architectures. The challenge arises from the fact that, in tabular data, the correlation among features is weaker than the one from spatial or semantic relationships in images or natural language, and the dependency structures need to be modeled without any prior information. In this work, we propose a novel deep learning architecture that exploits the data structural organization through topologically constrained network representations to gain relational information from sparse tabular inputs. The resulting model leverages the power of convolution and is centered on a limited number of concepts from network topology to guarantee: (i) a data-centric and deterministic building pipeline; (ii) a high level of interpretability over the inference process; and (iii) an adequate room for scalability. We test our model on 18 benchmark datasets against 5 classic machine learning and 3 deep learning models, demonstrating that our approach reaches state-of-the-art performances on these challenging datasets. The code to reproduce all our experiments is provided at //github.com/FinancialComputingUCL/HomologicalCNN.
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We present the Locally Adaptive Morphable Model (LAMM), a highly flexible Auto-Encoder (AE) framework for learning to generate and manipulate 3D meshes. We train our architecture following a simple self-supervised training scheme in which input displacements over a set of sparse control vertices are used to overwrite the encoded geometry in order to transform one training sample into another. During inference, our model produces a dense output that adheres locally to the specified sparse geometry while maintaining the overall appearance of the encoded object. This approach results in state-of-the-art performance in both disentangling manipulated geometry and 3D mesh reconstruction. To the best of our knowledge LAMM is the first end-to-end framework that enables direct local control of 3D vertex geometry in a single forward pass. A very efficient computational graph allows our network to train with only a fraction of the memory required by previous methods and run faster during inference, generating 12k vertex meshes at $>$60fps on a single CPU thread. We further leverage local geometry control as a primitive for higher level editing operations and present a set of derivative capabilities such as swapping and sampling object parts. Code and pretrained models can be found at //github.com/michaeltrs/LAMM.
Stability arguments are often used to prevent learning algorithms from having ever increasing activity and weights that hinder generalization. However, stability conditions can clash with the sparsity required to augment the energy efficiency of spiking neurons. Nonetheless it can also provide solutions. In fact, spiking Neuromorphic Computing uses binary activity to improve Artificial Intelligence energy efficiency. However, its non-smoothness requires approximate gradients, known as Surrogate Gradients (SG), to close the performance gap with Deep Learning. Several SG have been proposed in the literature, but it remains unclear how to determine the best SG for a given task and network. Thus, we aim at theoretically define the best SG, through stability arguments, to reduce the need for grid search. In fact, we show that more complex tasks and networks need more careful choice of SG, even if overall the derivative of the fast sigmoid tends to outperform the other, for a wide range of learning rates. We therefore design a stability based theoretical method to choose initialization and SG shape before training on the most common spiking neuron, the Leaky Integrate and Fire (LIF). Since our stability method suggests the use of high firing rates at initialization, which is non-standard in the neuromorphic literature, we show that high initial firing rates, combined with a sparsity encouraging loss term introduced gradually, can lead to better generalization, depending on the SG shape. Our stability based theoretical solution, finds a SG and initialization that experimentally result in improved accuracy. We show how it can be used to reduce the need of extensive grid-search of dampening, sharpness and tail-fatness of the SG. We also show that our stability concepts can be extended to be applicable on different LIF variants, such as DECOLLE and fluctuations-driven initializations.
Density estimation, a central problem in machine learning, can be performed using Normalizing Flows (NFs). NFs comprise a sequence of invertible transformations, that turn a complex target distribution into a simple one, by exploiting the change of variables theorem. Neural Autoregressive Flows (NAFs) and Block Neural Autoregressive Flows (B-NAFs) are arguably the most perfomant members of the NF family. However, they suffer scalability issues and training instability due to the constraints imposed on the network structure. In this paper, we propose a novel solution to these challenges by exploiting transformers to define a new class of neural flows called Transformer Neural Autoregressive Flows (T-NAFs). T-NAFs treat each dimension of a random variable as a separate input token, using attention masking to enforce an autoregressive constraint. We take an amortization-inspired approach where the transformer outputs the parameters of an invertible transformation. The experimental results demonstrate that T-NAFs consistently match or outperform NAFs and B-NAFs across multiple datasets from the UCI benchmark. Remarkably, T-NAFs achieve these results using an order of magnitude fewer parameters than previous approaches, without composing multiple flows.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges, because subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SUB-GNN, a subgraph neural network to learn disentangled subgraph representations. In particular, we propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SUB-GNN specifies three channels, each designed to capture a distinct aspect of subgraph structure, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SUB-GNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 12.4% over the strongest baseline. SUB-GNN performs exceptionally well on challenging biomedical datasets when subgraphs have complex topology and even comprise multiple disconnected components.
Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
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.
Deep learning has yielded state-of-the-art performance on many natural language processing tasks including named entity recognition (NER). However, this typically requires large amounts of labeled data. In this work, we demonstrate that the amount of labeled training data can be drastically reduced when deep learning is combined with active learning. While active learning is sample-efficient, it can be computationally expensive since it requires iterative retraining. To speed this up, we introduce a lightweight architecture for NER, viz., the CNN-CNN-LSTM model consisting of convolutional character and word encoders and a long short term memory (LSTM) tag decoder. The model achieves nearly state-of-the-art performance on standard datasets for the task while being computationally much more efficient than best performing models. We carry out incremental active learning, during the training process, and are able to nearly match state-of-the-art performance with just 25\% of the original training data.
The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.
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