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Author

Emanuele Rodolà

Bio: Emanuele Rodolà is an academic researcher from Sapienza University of Rome. The author has contributed to research in topics: Shape analysis (digital geometry) & Computer science. The author has an hindex of 34, co-authored 120 publications receiving 5133 citations. Previous affiliations of Emanuele Rodolà include University of Tokyo & University of Lugano.


Papers
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Proceedings ArticleDOI
21 Jul 2017
TL;DR: In this article, a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features is proposed.
Abstract: Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures currently produce state-of-the-art performance on a variety of image analysis tasks such as object detection and recognition. Most of deep learning research has so far focused on dealing with 1D, 2D, or 3D Euclidean-structured data such as acoustic signals, images, or videos. Recently, there has been an increasing interest in geometric deep learning, attempting to generalize deep learning methods to non-Euclidean structured data such as graphs and manifolds, with a variety of applications from the domains of network analysis, computational social science, or computer graphics. In this paper, we propose a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features. We show that various non-Euclidean CNN methods previously proposed in the literature can be considered as particular instances of our framework. We test the proposed method on standard tasks from the realms of image-, graph-and 3D shape analysis and show that it consistently outperforms previous approaches.

1,594 citations

Posted Content
TL;DR: This paper proposes a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features and test the proposed method on standard tasks from the realms of image-, graph-and 3D shape analysis and show that it consistently outperforms previous approaches.
Abstract: Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures currently produce state-of-the-art performance on a variety of image analysis tasks such as object detection and recognition. Most of deep learning research has so far focused on dealing with 1D, 2D, or 3D Euclidean-structured data such as acoustic signals, images, or videos. Recently, there has been an increasing interest in geometric deep learning, attempting to generalize deep learning methods to non-Euclidean structured data such as graphs and manifolds, with a variety of applications from the domains of network analysis, computational social science, or computer graphics. In this paper, we propose a unified framework allowing to generalize CNN architectures to non-Euclidean domains (graphs and manifolds) and learn local, stationary, and compositional task-specific features. We show that various non-Euclidean CNN methods previously proposed in the literature can be considered as particular instances of our framework. We test the proposed method on standard tasks from the realms of image-, graph- and 3D shape analysis and show that it consistently outperforms previous approaches.

735 citations

Journal ArticleDOI
TL;DR: MaSIF (molecular surface interaction fingerprinting) is presented, a conceptual framework based on a geometric deep learning method to capture fingerprints that are important for specific biomolecular interactions that will lead to improvements in the understanding of protein function and design.
Abstract: Predicting interactions between proteins and other biomolecules solely based on structure remains a challenge in biology. A high-level representation of protein structure, the molecular surface, displays patterns of chemical and geometric features that fingerprint a protein's modes of interactions with other biomolecules. We hypothesize that proteins participating in similar interactions may share common fingerprints, independent of their evolutionary history. Fingerprints may be difficult to grasp by visual analysis but could be learned from large-scale datasets. We present MaSIF (molecular surface interaction fingerprinting), a conceptual framework based on a geometric deep learning method to capture fingerprints that are important for specific biomolecular interactions. We showcase MaSIF with three prediction challenges: protein pocket-ligand prediction, protein-protein interaction site prediction and ultrafast scanning of protein surfaces for prediction of protein-protein complexes. We anticipate that our conceptual framework will lead to improvements in our understanding of protein function and design.

389 citations

Journal Article
TL;DR: Evaluation of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters finds that model performance and calibration both improve with scale, but are poor in absolute terms.
Abstract: Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 450 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit"breakthrough"behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

376 citations

Proceedings Article
01 Jan 2016
TL;DR: Anisotropic convolutional neural networks (ACNN) as discussed by the authors is a generalization of classical CNNs to non-Euclidean domains, where classical convolutions are replaced by projections over a set of oriented anisotropic diffusion kernels.
Abstract: Convolutional neural networks have achieved extraordinary results in many computer vision and pattern recognition applications; however, their adoption in the computer graphics and geometry processing communities is limited due to the non-Euclidean structure of their data. In this paper, we propose Anisotropic Convolutional Neural Network (ACNN), a generalization of classical CNNs to non-Euclidean domains, where classical convolutions are replaced by projections over a set of oriented anisotropic diffusion kernels. We use ACNNs to effectively learn intrinsic dense correspondences between deformable shapes, a fundamental problem in geometry processing, arising in a wide variety of applications. We tested ACNNs performance in very challenging settings, achieving state-of-the-art results on some of the most difficult recent correspondence benchmarks.

254 citations


Cited by
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Journal ArticleDOI
TL;DR: This article provides a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields and proposes a new taxonomy to divide the state-of-the-art GNNs into four categories, namely, recurrent GNNS, convolutional GNN’s, graph autoencoders, and spatial–temporal Gnns.
Abstract: Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications, where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on the existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this article, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art GNNs into four categories, namely, recurrent GNNs, convolutional GNNs, graph autoencoders, and spatial–temporal GNNs. We further discuss the applications of GNNs across various domains and summarize the open-source codes, benchmark data sets, and model evaluation of GNNs. Finally, we propose potential research directions in this rapidly growing field.

4,584 citations

Journal ArticleDOI
TL;DR: This work proposes a new neural network module suitable for CNN-based high-level tasks on point clouds, including classification and segmentation called EdgeConv, which acts on graphs dynamically computed in each layer of the network.
Abstract: Point clouds provide a flexible geometric representation suitable for countless applications in computer graphics; they also comprise the raw output of most 3D data acquisition devices. While hand-designed features on point clouds have long been proposed in graphics and vision, however, the recent overwhelming success of convolutional neural networks (CNNs) for image analysis suggests the value of adapting insight from CNN to the point cloud world. Point clouds inherently lack topological information, so designing a model to recover topology can enrich the representation power of point clouds. To this end, we propose a new neural network module dubbed EdgeConv suitable for CNN-based high-level tasks on point clouds, including classification and segmentation. EdgeConv acts on graphs dynamically computed in each layer of the network. It is differentiable and can be plugged into existing architectures. Compared to existing modules operating in extrinsic space or treating each point independently, EdgeConv has several appealing properties: It incorporates local neighborhood information; it can be stacked applied to learn global shape properties; and in multi-layer systems affinity in feature space captures semantic characteristics over potentially long distances in the original embedding. We show the performance of our model on standard benchmarks, including ModelNet40, ShapeNetPart, and S3DIS.

3,727 citations

Journal ArticleDOI
TL;DR: In many applications, such geometric data are large and complex (in the case of social networks, on the scale of billions) and are natural targets for machine-learning techniques as mentioned in this paper.
Abstract: Many scientific fields study data with an underlying structure that is non-Euclidean. Some examples include social networks in computational social sciences, sensor networks in communications, functional networks in brain imaging, regulatory networks in genetics, and meshed surfaces in computer graphics. In many applications, such geometric data are large and complex (in the case of social networks, on the scale of billions) and are natural targets for machine-learning techniques. In particular, we would like to use deep neural networks, which have recently proven to be powerful tools for a broad range of problems from computer vision, natural-language processing, and audio analysis. However, these tools have been most successful on data with an underlying Euclidean or grid-like structure and in cases where the invariances of these structures are built into networks used to model them.

2,565 citations

Posted Content
TL;DR: A detailed review over existing graph neural network models is provided, systematically categorize the applications, and four open problems for future research are proposed.
Abstract: Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures (like the dependency trees of sentences and the scene graphs of images) is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are neural models that capture the dependence of graphs via message passing between the nodes of graphs. In recent years, variants of GNNs such as graph convolutional network (GCN), graph attention network (GAT), graph recurrent network (GRN) have demonstrated ground-breaking performances on many deep learning tasks. In this survey, we propose a general design pipeline for GNN models and discuss the variants of each component, systematically categorize the applications, and propose four open problems for future research.

2,494 citations

Book ChapterDOI
01 Jan 1977
TL;DR: In the Hamadryas baboon, males are substantially larger than females, and a troop of baboons is subdivided into a number of ‘one-male groups’, consisting of one adult male and one or more females with their young.
Abstract: In the Hamadryas baboon, males are substantially larger than females. A troop of baboons is subdivided into a number of ‘one-male groups’, consisting of one adult male and one or more females with their young. The male prevents any of ‘his’ females from moving too far from him. Kummer (1971) performed the following experiment. Two males, A and B, previously unknown to each other, were placed in a large enclosure. Male A was free to move about the enclosure, but male B was shut in a small cage, from which he could observe A but not interfere. A female, unknown to both males, was then placed in the enclosure. Within 20 minutes male A had persuaded the female to accept his ownership. Male B was then released into the open enclosure. Instead of challenging male A , B avoided any contact, accepting A’s ownership.

2,364 citations