Spacetime Neural Network for High Dimensional Quantum Dynamics

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the time-dependent variational principle, our approach utilizes the implicit mid-point method and generates the solution for all spatial and temporal values simultaneously after optimization. We demonstrate the method in the Schr\"{o}dinger equation with a self-normalized autoregressive spacetime neural network construction. Future explorations for solving different high dimensional differential equations are discussed.

Advances in Machine and Deep Learning for Modeling and Real-time Detection of Multi-Messenger Sources

We live in momentous times. The science community is empowered with an arsenal of cosmic messengers to study the Universe in unprecedented detail. Gravitational waves, electromagnetic waves, neutrinos and cosmic rays cover a wide range of wavelengths and time scales. Combining and processing these datasets that vary in volume, speed and dimensionality requires new modes of instrument coordination, funding and international collaboration with a specialized human and technological infrastructure. In tandem with the advent of large-scale scientific facilities, the last decade has experienced an unprecedented transformation in computing and signal processing algorithms. The combination of graphics processing units, deep learning, and the availability of open source, high-quality datasets, have powered the rise of artificial intelligence. This digital revolution now powers a multi-billion dollar industry, with far-reaching implications in technology and society. In this chapter we describe pioneering efforts to adapt artificial intelligence algorithms to address computational grand challenges in Multi-Messenger Astrophysics. We review the rapid evolution of these disruptive algorithms, from the first class of algorithms introduced in early 2017, to the sophisticated algorithms that now incorporate domain expertise in their architectural design and optimization schemes. We discuss the importance of scientific visualization and extreme-scale computing in reducing time-to-insight and obtaining new knowledge from the interplay between models and data.

DeepQAMVS: Query-Aware Hierarchical Pointer Networks for Multi-Video Summarization

The recent growth of web video sharing platforms has increased the demand for systems that can efficiently browse, retrieve and summarize video content. Query-aware multi-video summarization is a promising technique that caters to this demand. In this work, we introduce a novel Query-Aware Hierarchical Pointer Network for Multi-Video Summarization, termed DeepQAMVS, that jointly optimizes multiple criteria: (1) conciseness, (2) representativeness of important query-relevant events and (3) chronological soundness. We design a hierarchical attention model that factorizes over three distributions, each collecting evidence from a different modality, followed by a pointer network that selects frames to include in the summary. DeepQAMVS is trained with reinforcement learning, incorporating rewards that capture representativeness, diversity, query-adaptability and temporal coherence. We achieve state-of-the-art results on the MVS1K dataset, with inference time scaling linearly with the number of input video frames.

Joint Community Detection and Rotational Synchronization via Semidefinite Programming

In the presence of heterogeneous data, where randomly rotated objects fall into multiple underlying categories, it is challenging to simultaneously classify them into clusters and synchronize them based on pairwise relations. This gives rise to the joint problem of community detection and synchronization. We propose a series of semidefinite relaxations, and prove their exact recovery when extending the celebrated stochastic block model to this new setting where both rotations and cluster identities are to be determined. Numerical experiments demonstrate the efficacy of our proposed algorithms and confirm our theoretical result which indicates a sharp phase transition for exact recovery.

Spatial-temporal switching estimators for imaging locally concentrated dynamics

The evolution of images with physics-based dynamics is often spatially localized and nonlinear. A switching linear dynamic system (SLDS) is a natural model under which to pose such problems when the system's evolution randomly switches over the observation interval. Because of the high parameter space dimensionality, efficient and accurate recovery of the underlying state is challenging. The work presented in this paper focuses on the common cases where the dynamic evolution may be adequately modeled as a collection of decoupled, locally concentrated dynamic operators. Patch-based hybrid estimators are proposed for real-time reconstruction of images from noisy measurements given perfect or partial information about the underlying system dynamics. Numerical results demonstrate the effectiveness of the proposed approach for denoising in a realistic data-driven simulation of remotely sensed cloud dynamics.

MSR-GAN: Multi-Segment Reconstruction via Adversarial Learning

Multi-segment reconstruction (MSR) is the problem of estimating a signal given noisy partial observations. Here each observation corresponds to a randomly located segment of the signal. While previous works address this problem using template or moment-matching, in this paper we address MSR from an unsupervised adversarial learning standpoint, named MSR-GAN. We formulate MSR as a distribution matching problem where the goal is to recover the signal and the probability distribution of the segments such that the distribution of the generated measurements following a known forward model is close to the real observations. This is achieved once a min-max optimization involving a generator-discriminator pair is solved. MSR-GAN is mainly inspired by CryoGAN [1]. However, in MSR-GAN we no longer assume the probability distribution of the latent variables, i.e. segment locations, is given and seek to recover it alongside the unknown signal. For this purpose, we show that the loss at the generator side originally is non-differentiable with respect to the segment distribution. Thus, we propose to approximate it using Gumbel-Softmax reparametrization trick. Our proposed solution is generalizable to a wide range of inverse problems. Our simulation results and comparison with various baselines verify the potential of our approach in different settings.

UVTomo-GAN: An adversarial learning based approach for unknown view X-ray tomographic reconstruction

Tomographic reconstruction recovers an unknown image given its projections from different angles. State-of-the-art methods addressing this problem assume the angles associated with the projections are known a-priori. Given this knowledge, the reconstruction process is straightforward as it can be formulated as a convex problem. Here, we tackle a more challenging setting: 1) the projection angles are unknown, 2) they are drawn from an unknown probability distribution. In this set-up our goal is to recover the image and the projection angle distribution using an unsupervised adversarial learning approach. For this purpose, we formulate the problem as a distribution matching between the real projection lines and the generated ones from the estimated image and projection distribution. This is then solved by reaching the equilibrium in a min-max game between a generator and a discriminator. Our novel contribution is to recover the unknown projection distribution and the image simultaneously using adversarial learning. To accommodate this, we use Gumbel-softmax approximation of samples from categorical distribution to approximate the generator's loss as a function of the unknown image and the projection distribution. Our approach can be generalized to different inverse problems. Our simulation results reveal the ability of our method in successfully recovering the image and the projection distribution in various settings.

Gauge Invariant Autoregressive Neural Networks for Quantum Lattice Models

Gauge invariance plays a crucial role in quantum mechanics from condensed matter physics to high energy physics. We develop an approach to constructing gauge invariant autoregressive neural networks for quantum lattice models. These networks can be efficiently sampled and explicitly obey gauge symmetries. We variationally optimize our gauge invariant autoregressive neural networks for ground states as well as real-time dynamics for a variety of models. We exactly represent the ground and excited states of the 2D and 3D toric codes, and the X-cube fracton model. We simulate the dynamics of the quantum link model of $\text{U(1)}$ lattice gauge theory, obtain the phase diagram for the 2D $\mathbb{Z}_2$ gauge theory, determine the phase transition and the central charge of the $\text{SU(2)}_3$ anyonic chain, and also compute the ground state energy of the $\text{SU(2)}$ invariant Heisenberg spin chain. Our approach provides powerful tools for exploring condensed matter physics, high energy physics and quantum information science.

Adversarial Linear Contextual Bandits with Graph-Structured Side Observations

This paper studies the adversarial graphical contextual bandits, a variant of adversarial multi-armed bandits that leverage two categories of the most common side information: \emph{contexts} and \emph{side observations}. In this setting, a learning agent repeatedly chooses from a set of $K$ actions after being presented with a $d$-dimensional context vector. The agent not only incurs and observes the loss of the chosen action, but also observes the losses of its neighboring actions in the observation structures, which are encoded as a series of feedback graphs. This setting models a variety of applications in social networks, where both contexts and graph-structured side observations are available. Two efficient algorithms are developed based on \texttt{EXP3}. Under mild conditions, our analysis shows that for undirected feedback graphs the first algorithm, \texttt{EXP3-LGC-U}, achieves the regret of order $\mathcal{O}(\sqrt{(K+\alpha(G)d)T\log{K}})$ over the time horizon $T$, where $\alpha(G)$ is the average \emph{independence number} of the feedback graphs. A slightly weaker result is presented for the directed graph setting as well. The second algorithm, \texttt{EXP3-LGC-IX}, is developed for a special class of problems, for which the regret is reduced to $\mathcal{O}(\sqrt{\alpha(G)dT\log{K}\log(KT)})$ for both directed as well as undirected feedback graphs. Numerical tests corroborate the efficiency of proposed algorithms.