DIFFormer: Scalable (Graph) Transformers Induced by Energy Constrained Diffusion

Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired instance representations. To this end, we introduce an energy constrained diffusion model which encodes a batch of instances from a dataset into evolutionary states that progressively incorporate other instances' information by their interactions. The diffusion process is constrained by descent criteria w.r.t.~a principled energy function that characterizes the global consistency of instance representations over latent structures. We provide rigorous theory that implies closed-form optimal estimates for the pairwise diffusion strength among arbitrary instance pairs, which gives rise to a new class of neural encoders, dubbed as DIFFormer (diffusion-based Transformers), with two instantiations: a simple version with linear complexity for prohibitive instance numbers, and an advanced version for learning complex structures. Experiments highlight the wide applicability of our model as a general-purpose encoder backbone with superior performance in various tasks, such as node classification on large graphs, semi-supervised image/text classification, and spatial-temporal dynamics prediction.Comment: Accepted by International Conference on Learning Representations (ICLR 2023

Geometric deep learning: going beyond Euclidean data

Many scientific fields study data with an underlying structure that is a non-Euclidean space. 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. Geometric deep learning is an umbrella term for emerging techniques attempting to generalize (structured) deep neural models to non-Euclidean domains such as graphs and manifolds. The purpose of this paper is to overview different examples of geometric deep learning problems and present available solutions, key difficulties, applications, and future research directions in this nascent field

The Data Big Bang and the Expanding Digital Universe: High-Dimensional, Complex and Massive Data Sets in an Inflationary Epoch

Recent and forthcoming advances in instrumentation, and giant new surveys, are creating astronomical data sets that are not amenable to the methods of analysis familiar to astronomers. Traditional methods are often inadequate not merely because of the size in bytes of the data sets, but also because of the complexity of modern data sets. Mathematical limitations of familiar algorithms and techniques in dealing with such data sets create a critical need for new paradigms for the representation, analysis and scientific visualization (as opposed to illustrative visualization) of heterogeneous, multiresolution data across application domains. Some of the problems presented by the new data sets have been addressed by other disciplines such as applied mathematics, statistics and machine learning and have been utilized by other sciences such as space-based geosciences. Unfortunately, valuable results pertaining to these problems are mostly to be found only in publications outside of astronomy. Here we offer brief overviews of a number of concepts, techniques and developments, some "old" and some new. These are generally unknown to most of the astronomical community, but are vital to the analysis and visualization of complex datasets and images. In order for astronomers to take advantage of the richness and complexity of the new era of data, and to be able to identify, adopt, and apply new solutions, the astronomical community needs a certain degree of awareness and understanding of the new concepts. One of the goals of this paper is to help bridge the gap between applied mathematics, artificial intelligence and computer science on the one side and astronomy on the other.Comment: 24 pages, 8 Figures, 1 Table. Accepted for publication: "Advances in Astronomy, special issue "Robotic Astronomy

Graph Signal Processing: Overview, Challenges and Applications

Research in Graph Signal Processing (GSP) aims to develop tools for processing data defined on irregular graph domains. In this paper we first provide an overview of core ideas in GSP and their connection to conventional digital signal processing. We then summarize recent developments in developing basic GSP tools, including methods for sampling, filtering or graph learning. Next, we review progress in several application areas using GSP, including processing and analysis of sensor network data, biological data, and applications to image processing and machine learning. We finish by providing a brief historical perspective to highlight how concepts recently developed in GSP build on top of prior research in other areas.Comment: To appear, Proceedings of the IEE

Geometric deep learning

The goal of these course notes is to describe the main mathematical ideas behind geometric deep learning and to provide implementation details for several applications in shape analysis and synthesis, computer vision and computer graphics. The text in the course materials is primarily based on previously published work. With these notes we gather and provide a clear picture of the key concepts and techniques that fall under the umbrella of geometric deep learning, and illustrate the applications they enable. We also aim to provide practical implementation details for the methods presented in these works, as well as suggest further readings and extensions of these ideas

Recent Advances in Graph Partitioning

We survey recent trends in practical algorithms for balanced graph partitioning together with applications and future research directions

Road planning with slime mould: If Physarum built motorways it would route M6/M74 through Newcastle

Plasmodium of Physarum polycephalum is a single cell visible by unaided eye. During its foraging behaviour the cell spans spatially distributed sources of nutrients with a protoplasmic network. Geometrical structure of the protoplasmic networks allows the plasmodium to optimize transfer of nutrients between remote parts of its body, to distributively sense its environment, and make a decentralized decision about further routes of migration. We consider the ten most populated urban areas in United Kingdom and study what would be an optimal layout of transport links between these urban areas from the "plasmodium's point of view". We represent geographical locations of urban areas by oat flakes, inoculate the plasmodium in Greater London area and analyse the plasmodium's foraging behaviour. We simulate the behaviour of the plasmodium using a particle collective which responds to the environmental conditions to construct and minimise transport networks. Results of our scoping experiments show that during its colonization of the experimental space the plasmodium forms a protoplasmic network isomorphic to a network of major motorways except the motorway linking England with Scotland. We also imitate the reaction of transport network to disastrous events and show how the transport network can be reconfigured during natural or artificial cataclysms. The results of the present research lay a basis for future science of bio-inspired urban and road planning.Comment: Submitted November (2009