Large amounts of tabular data remain underutilized due to privacy, data quality, and data sharing limitations. While training a generative model producing synthetic data resembling the original distribution addresses some of these issues, most applications require additional constraints from the generated data. Existing synthetic data approaches are limited as they typically only handle specific constraints, e.g., differential privacy (DP) or increased fairness, and lack an accessible interface for declaring general specifications. In this work, we introduce ProgSyn, the first programmable synthetic tabular data generation algorithm that allows for comprehensive customization over the generated data. To ensure high data quality while adhering to custom specifications, ProgSyn pre-trains a generative model on the original dataset and fine-tunes it on a differentiable loss automatically derived from the provided specifications. These can be programmatically declared using statistical and logical expressions, supporting a wide range of requirements (e.g., DP or fairness, among others). We conduct an extensive experimental evaluation of ProgSyn on a number of constraints, achieving a new state-of-the-art on some, while remaining general. For instance, at the same fairness level we achieve 2.3% higher downstream accuracy than the state-of-the-art in fair synthetic data generation on the Adult dataset. Overall, ProgSyn provides a versatile and accessible framework for generating constrained synthetic tabular data, allowing for specifications that generalize beyond the capabilities of prior work.
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Problems involving geometric data arise in physics, chemistry, robotics, computer vision, and many other fields. Such data can take numerous forms, such as points, direction vectors, translations, or rotations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric (or Clifford) algebra, which offers an efficient 16-dimensional vector-space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a Transformer, GATr is versatile, efficient, and scalable. We demonstrate GATr in problems from n-body modeling to wall-shear-stress estimation on large arterial meshes to robotic motion planning. GATr consistently outperforms both non-geometric and equivariant baselines in terms of error, data efficiency, and scalability.
Process pattern discovery methods (PPDMs) aim at identifying patterns of interest to users. Existing PPDMs typically are unsupervised and focus on a single dimension of interest, such as discovering frequent patterns. We present an interactive multi interest driven framework for process pattern discovery aimed at identifying patterns that are optimal according to a multi-dimensional analysis goal. The proposed approach is iterative and interactive, thus taking experts knowledge into account during the discovery process. The paper focuses on a concrete analysis goal, i.e., deriving process patterns that affect the process outcome. We evaluate the approach on real world event logs in both interactive and fully automated settings. The approach extracted meaningful patterns validated by expert knowledge in the interactive setting. Patterns extracted in the automated settings consistently led to prediction performance comparable to or better than patterns derived considering single interest dimensions without requiring user defined thresholds.
Hypergraphs are important for processing data with higher-order relationships involving more than two entities. In scenarios where explicit hypergraphs are not readily available, it is desirable to infer a meaningful hypergraph structure from the node features to capture the intrinsic relations within the data. However, existing methods either adopt simple pre-defined rules that fail to precisely capture the distribution of the potential hypergraph structure, or learn a mapping between hypergraph structures and node features but require a large amount of labelled data, i.e., pre-existing hypergraph structures, for training. Both restrict their applications in practical scenarios. To fill this gap, we propose a novel smoothness prior that enables us to design a method to infer the probability for each potential hyperedge without labelled data as supervision. The proposed prior indicates features of nodes in a hyperedge are highly correlated by the features of the hyperedge containing them. We use this prior to derive the relation between the hypergraph structure and the node features via probabilistic modelling. This allows us to develop an unsupervised inference method to estimate the probability for each potential hyperedge via solving an optimisation problem that has an analytical solution. Experiments on both synthetic and real-world data demonstrate that our method can learn meaningful hypergraph structures from data more efficiently than existing hypergraph structure inference methods.
While modern machine learning models rely on increasingly large training datasets, data is often limited in privacy-sensitive domains. Generative models trained with differential privacy (DP) on sensitive data can sidestep this challenge, providing access to synthetic data instead. We build on the recent success of diffusion models (DMs) and introduce Differentially Private Diffusion Models (DPDMs), which enforce privacy using differentially private stochastic gradient descent (DP-SGD). We investigate the DM parameterization and the sampling algorithm, which turn out to be crucial ingredients in DPDMs, and propose noise multiplicity, a powerful modification of DP-SGD tailored to the training of DMs. We validate our novel DPDMs on image generation benchmarks and achieve state-of-the-art performance in all experiments. Moreover, on standard benchmarks, classifiers trained on DPDM-generated synthetic data perform on par with task-specific DP-SGD-trained classifiers, which has not been demonstrated before for DP generative models. Project page and code: //nv-tlabs.github.io/DPDM.
Self-supervised learning has been widely used to obtain transferrable representations from unlabeled images. Especially, recent contrastive learning methods have shown impressive performances on downstream image classification tasks. While these contrastive methods mainly focus on generating invariant global representations at the image-level under semantic-preserving transformations, they are prone to overlook spatial consistency of local representations and therefore have a limitation in pretraining for localization tasks such as object detection and instance segmentation. Moreover, aggressively cropped views used in existing contrastive methods can minimize representation distances between the semantically different regions of a single image. In this paper, we propose a spatially consistent representation learning algorithm (SCRL) for multi-object and location-specific tasks. In particular, we devise a novel self-supervised objective that tries to produce coherent spatial representations of a randomly cropped local region according to geometric translations and zooming operations. On various downstream localization tasks with benchmark datasets, the proposed SCRL shows significant performance improvements over the image-level supervised pretraining as well as the state-of-the-art self-supervised learning methods.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
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.
We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.
Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models, and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across all datasets.
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.
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