Most modern imaging systems incorporate a computational pipeline to infer the image of interest from acquired measurements. The Bayesian approach to solve such ill-posed inverse problems involves the characterization of the posterior distribution of the image. It depends on the model of the imaging system and on prior knowledge on the image of interest. In this work, we present a Bayesian reconstruction framework for nonlinear imaging models where we specify the prior knowledge on the image through a deep generative model. We develop a tractable posterior-sampling scheme based on the Metropolis-adjusted Langevin algorithm for the class of nonlinear inverse problems where the forward model has a neural-network-like structure. This class includes most practical imaging modalities. We introduce the notion of augmented deep generative priors in order to suitably handle the recovery of quantitative images.We illustrate the advantages of our framework by applying it to two nonlinear imaging modalities-phase retrieval and optical diffraction tomography.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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Bayesian model comparison (BMC) offers a principled approach for assessing the relative merits of competing computational models and propagating uncertainty into model selection decisions. However, BMC is often intractable for the popular class of hierarchical models due to their high-dimensional nested parameter structure. To address this intractability, we propose a deep learning method for performing BMC on any set of hierarchical models which can be instantiated as probabilistic programs. Since our method enables amortized inference, it allows efficient re-estimation of posterior model probabilities and fast performance validation prior to any real-data application. In a series of extensive validation studies, we benchmark the performance of our method against the state-of-the-art bridge sampling method and demonstrate excellent amortized inference across all BMC settings. We then showcase our method by comparing four hierarchical evidence accumulation models that have previously been deemed intractable for BMC due to partly implicit likelihoods. In this application, we corroborate evidence for the recently proposed L\'evy flight model of decision-making and show how transfer learning can be leveraged to enhance training efficiency. We provide reproducible code for all analyses and an open-source implementation of our method.
Deep learning has transformed computational imaging, but traditional pixel-based representations limit their ability to capture continuous, multiscale details of objects. Here we introduce a novel Local Conditional Neural Fields (LCNF) framework, leveraging a continuous implicit neural representation to address this limitation. LCNF enables flexible object representation and facilitates the reconstruction of multiscale information. We demonstrate the capabilities of LCNF in solving the highly ill-posed inverse problem in Fourier ptychographic microscopy (FPM) with multiplexed measurements, achieving robust, scalable, and generalizable large-scale phase retrieval. Unlike traditional neural fields frameworks, LCNF incorporates a local conditional representation that promotes model generalization, learning multiscale information, and efficient processing of large-scale imaging data. By combining an encoder and a decoder conditioned on a learned latent vector, LCNF achieves versatile continuous-domain super-resolution image reconstruction. We demonstrate accurate reconstruction of wide field-of-view, high-resolution phase images using only a few multiplexed measurements. LCNF robustly captures the continuous object priors and eliminates various phase artifacts, even when it is trained on imperfect datasets. The framework exhibits strong generalization, reconstructing diverse objects even with limited training data. Furthermore, LCNF can be trained on a physics simulator using natural images and successfully applied to experimental measurements on biological samples. Our results highlight the potential of LCNF for solving large-scale inverse problems in computational imaging, with broad applicability in various deep-learning-based techniques.
COVID-19 has led to excess deaths around the world, however it remains unclear how the mortality of other causes of death has changed during the pandemic. Aiming at understanding the wider impact of COVID-19 on other death causes, we study Italian data set that consists of monthly mortality counts of different causes from January 2015 to December 2020. Due to the high dimensional nature of the data, we develop a model which combines conventional Poisson regression with tensor train decomposition to explore the lower dimensional residual structure of the data. We take a Bayesian approach, impose priors on model parameters. Posterior inference is performed using an efficient Metropolis-Hastings within Gibbs algorithm. The validity of our approach is tested in simulation studies. Our method not only identifies differential effects of interventions on cause specific mortality rates through the Poisson regression component, but also offers informative interpretations of the relationship between COVID-19 and other causes of death as well as latent classes that underline demographic characteristics, temporal patterns and causes of death respectively.
We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters that define the nature of the physical system at hand) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.
Recent groundbreaking developments on generative modeling have sparked interest in practical single-model attribution. Such methods predict whether a sample was generated by a specific generator or not, for instance, to prove intellectual property theft. However, previous works are either limited to the closed-world setting or require undesirable changes of the generative model. We address these shortcomings by proposing FLIPAD, a new approach for single-model attribution in the open-world setting based on final-layer inversion and anomaly detection. We show that the utilized final-layer inversion can be reduced to a convex lasso optimization problem, making our approach theoretically sound and computationally efficient. The theoretical findings are accompanied by an experimental study demonstrating the effectiveness of our approach, outperforming the existing methods.
We study parameterisation-independent closed planar curve matching as a Bayesian inverse problem. The motion of the curve is modelled via a curve on the diffeomorphism group acting on the ambient space, leading to a large deformation diffeomorphic metric mapping (LDDMM) functional penalising the kinetic energy of the deformation. We solve Hamilton's equations for the curve matching problem using the Wu-Xu element [S. Wu, J. Xu, Nonconforming finite element spaces for $2m^\text{th}$ order partial differential equations on $\mathbb{R}^n$ simplicial grids when $m=n+1$, Mathematics of Computation 88 (316) (2019) 531-551] which provides mesh-independent Lipschitz constants for the forward motion of the curve, and solve the inverse problem for the momentum using Bayesian inversion. Since this element is not affine-equivalent we provide a pullback theory which expedites the implementation and efficiency of the forward map. We adopt ensemble Kalman inversion using a negative Sobolev norm mismatch penalty to measure the discrepancy between the target and the ensemble mean shape. We provide several numerical examples to validate the approach.
Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.
Deep learning shows great potential in generation tasks thanks to deep latent representation. Generative models are classes of models that can generate observations randomly with respect to certain implied parameters. Recently, the diffusion Model becomes a raising class of generative models by virtue of its power-generating ability. Nowadays, great achievements have been reached. More applications except for computer vision, speech generation, bioinformatics, and natural language processing are to be explored in this field. However, the diffusion model has its natural drawback of a slow generation process, leading to many enhanced works. This survey makes a summary of the field of the diffusion model. We firstly state the main problem with two landmark works - DDPM and DSM. Then, we present a diverse range of advanced techniques to speed up the diffusion models - training schedule, training-free sampling, mixed-modeling, and score & diffusion unification. Regarding existing models, we also provide a benchmark of FID score, IS, and NLL according to specific NFE. Moreover, applications with diffusion models are introduced including computer vision, sequence modeling, audio, and AI for science. Finally, there is a summarization of this field together with limitations & further directions.
Diffusion models are a class of deep generative models that have shown impressive results on various tasks with dense theoretical founding. Although diffusion models have achieved impressive quality and diversity of sample synthesis than other state-of-the-art models, they still suffer from costly sampling procedure and sub-optimal likelihood estimation. Recent studies have shown great enthusiasm on improving the performance of diffusion model. In this article, we present a first comprehensive review of existing variants of the diffusion models. Specifically, we provide a first taxonomy of diffusion models and categorize them variants to three types, namely sampling-acceleration enhancement, likelihood-maximization enhancement and data-generalization enhancement. We also introduce in detail other five generative models (i.e., variational autoencoders, generative adversarial networks, normalizing flow, autoregressive models, and energy-based models), and clarify the connections between diffusion models and these generative models. Then we make a thorough investigation into the applications of diffusion models, including computer vision, natural language processing, waveform signal processing, multi-modal modeling, molecular graph generation, time series modeling, and adversarial purification. Furthermore, we propose new perspectives pertaining to the development of this generative model.
Designing and generating new data under targeted properties has been attracting various critical applications such as molecule design, image editing and speech synthesis. Traditional hand-crafted approaches heavily rely on expertise experience and intensive human efforts, yet still suffer from the insufficiency of scientific knowledge and low throughput to support effective and efficient data generation. Recently, the advancement of deep learning induces expressive methods that can learn the underlying representation and properties of data. Such capability provides new opportunities in figuring out the mutual relationship between the structural patterns and functional properties of the data and leveraging such relationship to generate structural data given the desired properties. This article provides a systematic review of this promising research area, commonly known as controllable deep data generation. Firstly, the potential challenges are raised and preliminaries are provided. Then the controllable deep data generation is formally defined, a taxonomy on various techniques is proposed and the evaluation metrics in this specific domain are summarized. After that, exciting applications of controllable deep data generation are introduced and existing works are experimentally analyzed and compared. Finally, the promising future directions of controllable deep data generation are highlighted and five potential challenges are identified.
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