Technical University of Denmark（丹麦技术大学）；University of Oxford（牛津大学）；Danish Research Centre for Magnetic Resonance（丹麦磁共振研究中心）；Copenhagen University Hospital Hvidovre（哥本哈根大学哈维德夫医院）
Pola Schwöbel, Frederik Warburg, Martin Jørgensen, Kristoffer H. Madsen, Søren Hauberg
Spatial Transformer Networks (STNs) estimate image transformations that can improve downstream tasks by `zooming in' on relevant regions in an image. However, STNs are hard to train and sensitive to mis-predictions of transformations. To circumvent these limitations, we propose a probabilistic extension that estimates a stochastic transformation rather than a deterministic one. Marginalizing transformations allows us to consider each image at multiple poses, which makes the localization task easier and the training more robust. As an additional benefit, the stochastic transformations act as a localized, learned data augmentation that improves the downstream tasks. We show across standard imaging benchmarks and on a challenging real-world dataset that these two properties lead to improved classification performance, robustness and model calibration. We further demonstrate that the approach generalizes to non-visual domains by improving model performance on time-series data.
Efficient Autoregressive Inference for Transformer Probabilistic Models
Department of Computer Science, Aalto University, Finland（芬兰阿尔托大学计算机科学系）；ELLIS Institute Finland（芬兰ELLIS研究所）；Department of Computer Science, University of Helsinki, Finland（芬兰赫尔辛基大学计算机科学系）；Verda；Department of Computer Science, University of Manchester, UK（英国曼彻斯特大学计算机科学系）
Bayesian Transformer for Probabilistic Load Forecasting in Smart Grids
O&M Analytics, AES Clean Energ（O&M分析部，AES清洁能源）；The AES Corporation（AES公司）；Department of Information and Communication Engineering（信息与通信工程系）；Pabna University of Science and Technology（帕纳大学科学与技术）
Although Transformer has made breakthrough success in widespread domains especially in Natural Language Processing (NLP), applying it to time series forecasting is still a great challenge. In time series forecasting, the autoregressive decoding of canonical Transformer models could introduce huge accumulative errors inevitably. Besides, utilizing Transformer to deal with spatial-temporal dependencies in the problem still faces tough difficulties.~To tackle these limitations, this work is the first attempt to propose a Non-Autoregressive Transformer architecture for time series forecasting, aim…
We describe a simple, low-level approach for embedding probabilistic programming in a deep learning ecosystem. In particular, we distill probabilistic programming down to a single abstraction---the random variable. Our lightweight implementation in TensorFlow enables numerous applications: a model-parallel variational auto-encoder (VAE) with 2nd-generation tensor processing units (TPUv2s); a data-parallel autoregressive model (Image Transformer) with TPUv2s; and multi-GPU No-U-Turn Sampler (NUTS). For both a state-of-the-art VAE on 64x64 ImageNet and Image Transformer on 256x256 CelebA-HQ, our…
ProGen: Revisiting Probabilistic Spatial-Temporal Time Series Forecasting from a Continuous Generative Perspective Using Stochastic Differential Equations
Hong Kong University of Science and Technology (Guangzhou)（香港科技大学（广州））
We show that Transformers are Maximum Posterior Probability estimators for Mixtures of Gaussian Models. This brings a probabilistic point of view to Transformers and suggests extensions to other probabilistic cases.
PanGuide3D: Cohort-Robust Pancreas Tumor Segmentation via Probabilistic Pancreas Conditioning and a Transformer Bottleneck
Trailridge School（Trailridge学校）；Department of Biochemistry, Grand View University（生物化学系，Grand View大学）；Department of Computer Science, Iowa State University（计算机科学系，Iowa State大学）
Pre-trained protein language models have demonstrated significant applicability in different protein engineering task. A general usage of these pre-trained transformer models latent representation is to use a mean pool across residue positions to reduce the feature dimensions to further downstream tasks such as predicting bio-physics properties or other functional behaviours. In this paper we provide a two-fold contribution to machine learning (ML) driven drug design. Firstly, we demonstrate the power of sparsity by promoting penalization of pre-trained transformer models to secure more robust…
Time series forecasting is crucial for many fields, such as disaster warning, weather prediction, and energy consumption. The Transformer-based models are considered to have revolutionized the field of sequence modeling. However, the complex temporal patterns of the time series hinder the model from mining reliable temporal dependencies. Furthermore, the autoregressive form of the Transformer introduces cumulative errors in the inference step. In this paper, we propose the probabilistic decomposition Transformer model that combines the Transformer with a conditional generative model, which pro…
We propose a probabilistic interpretation of exponential dot product attention of transformers and contrastive learning based off of exponential families. The attention sublayer of transformers is equivalent to a gradient ascent step of the log normalizer, which is the log-sum-exp term in the Hopfield theory of attention. This ascent step induces a parallel expansion of points, which is counterbalanced by a contraction from layer normalization. We also state theoretical limitations of our theory and the Hopfield theory and suggest directions for resolution.
FPT Software AI Center（FPT软件人工智能中心）；University of California, Los Angeles（加州大学洛杉矶分校）；VinUniversity（文大）；Deezer Research（Deezer研究院）；Rice University（莱斯大学）；The University of Texas at Austin（德克萨斯大学奥斯汀分校）
Multi-head attention is a driving force behind state-of-the-art transformers, which achieve remarkable performance across a variety of natural language processing (NLP) and computer vision tasks. It has been observed that for many applications, those attention heads learn redundant embedding, and most of them can be removed without degrading the performance of the model. Inspired by this observation, we propose Transformer with a Mixture of Gaussian Keys (Transformer-MGK), a novel transformer architecture that replaces redundant heads in transformers with a mixture of keys at each head. These …
Universidad Carlos III de Madrid（马德里卡洛斯三世大学）；Swiss Data Science Institute (ETHZ/EPFL)（瑞士数据科学研究所（苏黎世联邦理工学院/洛桑联邦理工学院））
Language models (LM) have grown with non-stop in the last decade, from sequence-to-sequence architectures to the state-of-the-art and utter attention-based Transformers. In this work, we demonstrate how the inclusion of deep generative models within BERT can bring more versatile models, able to impute missing/noisy words with richer text or even improve BLEU score. More precisely, we use a Gaussian Mixture Variational Autoencoder (GMVAE) as a regularizer layer and prove its effectiveness not only in Transformers but also in the most relevant encoder-decoder based LM, seq2seq with and without a…
Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional prediction. However, most of the existing deep learning models for molecule design usually require a big dataset and have a black-box architecture, which makes it difficult to interpret their design logic. Here we propose Generative Molecular Transformer (GMTransformer), a probabilistic neural network model for generative design of molecules. Our model is built on th…
Huawei R&D London（华为伦敦研发中心）；University College London（伦敦大学学院）
Faced with problems of increasing complexity, recent research in Bayesian Optimisation (BO) has focused on adapting deep probabilistic models as flexible alternatives to Gaussian Processes (GPs). In a similar vein, this paper investigates the feasibility of employing state-of-the-art probabilistic transformers in BO. Upon further investigation, we observe two drawbacks stemming from their training procedure and loss definition, hindering their direct deployment as proxies in black-box optimisation. First, we notice that these models are trained on uniformly distributed inputs, which impairs pr…
University of California, Santa Barbara（加州大学圣巴巴拉分校）
Probabilistic Bisection Algorithm performs root finding based on knowledge acquired from noisy oracle responses. We consider the generalized PBA setting (G-PBA) where the statistical distribution of the oracle is unknown and location-dependent, so that model inference and Bayesian knowledge updating must be performed simultaneously. To this end, we propose to leverage the spatial structure of a typical oracle by constructing a statistical surrogate for the underlying logistic regression step. We investigate several non-parametric surrogates, including Binomial Gaussian Processes (B-GP), Polyno…
Ruhr University Bochum（波鸿鲁尔大学）；NTT Communications Science Laboratories, NTT Corporation（日本电信电话株式会社通信科学实验室）
Sound event localization aims at estimating the positions of sound sources in the environment with respect to an acoustic receiver (e.g. a microphone array). Recent advances in this domain most prominently focused on utilizing deep recurrent neural networks. Inspired by the success of transformer architectures as a suitable alternative to classical recurrent neural networks, this paper introduces a novel transformer-based sound event localization framework, where temporal dependencies in the received multi-channel audio signals are captured via self-attention mechanisms. Additionally, the esti…
AIRLab, University of Amsterdam（阿姆斯特丹大学 AIRLab）；University of Amsterdam（阿姆斯特丹大学）
Probabilistic time series forecasting is crucial in many application domains such as retail, ecommerce, finance, or biology. With the increasing availability of large volumes of data, a number of neural architectures have been proposed for this problem. In particular, Transformer-based methods achieve state-of-the-art performance on real-world benchmarks. However, these methods require a large number of parameters to be learned, which imposes high memory requirements on the computational resources for training such models. To address this problem, we introduce a novel Bidirectional Temporal Co…
Spatial and time-dependent data is of interest in many applications. This task is difficult due to its complex spatial dependency, long-range temporal dependency, data non-stationarity, and data heterogeneity. To address these challenges, we propose Forecaster, a graph Transformer architecture. Specifically, we start by learning the structure of the graph that parsimoniously represents the spatial dependency between the data at different locations. Based on the topology of the graph, we sparsify the Transformer to account for the strength of spatial dependency, long-range temporal dependency, …
Image clustering is an important but challenging task in machine learning. As in most image processing areas, the latest improvements came from models based on the deep learning approach. However, classical deep learning methods have problems to deal with spatial image transformations like scale and rotation. In this paper, we propose the use of visual attention techniques to reduce this problem in image clustering methods. We evaluate the combination of a deep image clustering model called Deep Adaptive Clustering (DAC) with the Spatial Transformer Networks (STN). The proposed model is evalua…
A Transformer-based Diffusion Probabilistic Model for Heart Rate and Blood Pressure Forecasting in Intensive Care Unit
The University of Arizona（亚利桑那大学）；Zhongshan Hospital, Fudan University（复旦大学附属中山医院）；The Shanghai Institute of Cardiovascular Diseases（上海市心血管病研究所）；Bio5 Institute, The University of Arizona（亚利桑那大学生物5研究所）；College of Nursing, The University of Arizona（亚利桑那大学护理学院）
TU Darmstadt（达姆施塔特工业大学）；Centre for Cognitive Science, TU Darmstadt（达姆施塔特工业大学认知科学中心）；Hessian Center for AI (hessian.AI)（黑森州人工智能中心）
Probabilistic circuits (PCs) have become the de-facto standard for learning and inference in probabilistic modeling. We introduce Sum-Product-Attention Networks (SPAN), a new generative model that integrates probabilistic circuits with Transformers. SPAN uses self-attention to select the most relevant parts of a probabilistic circuit, here sum-product networks, to improve the modeling capability of the underlying sum-product network. We show that while modeling, SPAN focuses on a specific set of independent assumptions in every product layer of the sum-product network. Our empirical evaluation…
Skolkovo Institute of Science and Technology（斯科尔科沃科学技术研究院）
The identification of nonlinear dynamics from observations is essential for the alignment of the theoretical ideas and experimental data. The last, in turn, is often corrupted by the side effects and noise of different natures, so probabilistic approaches could give a more general picture of the process. At the same time, high-dimensional probabilities modeling is a challenging and data-intensive task. In this paper, we establish a parallel between the dynamical systems modeling and language modeling tasks. We propose a transformer-based model that incorporates geometrical properties of the da…
Volkswagen Group（大众集团）；Technical University of Munich（慕尼黑工业大学）
We introduce PRISM, a method for real-time filtering in a probabilistic generative model of agent motion and visual perception. Previous approaches either lack uncertainty estimates for the map and agent state, do not run in real-time, do not have a dense scene representation or do not model agent dynamics. Our solution reconciles all of these aspects. We start from a predefined state-space model which combines differentiable rendering and 6-DoF dynamics. Probabilistic inference in this model amounts to simultaneous localisation and mapping (SLAM) and is intractable. We use a series of approxi…
University of Macau（澳门大学）；University of Central Florida（中佛罗里达大学）；Damo Academy, Alibaba Group（阿里巴巴集团达摩院）；Rutgers University（罗格斯大学）
Urban traffic speed prediction aims to estimate the future traffic speed for improving the urban transportation services. Enormous efforts have been made on exploiting spatial correlations and temporal dependencies of traffic speed evolving patterns by leveraging explicit spatial relations (geographical proximity) through pre-defined geographical structures ({\it e.g.}, region grids or road networks). While achieving promising results, current traffic speed prediction methods still suffer from ignoring implicit spatial correlations (interactions), which cannot be captured by grid/graph convolu…
The Expressivity Boundary of Probabilistic Circuits: A Comparison with Large Language Models
School of Computing, National University of Singapore（新加坡国立大学计算机学院）；Institute for Artificial Intelligence, Peking University（北京大学人工智能研究院）；School of Intelligence Science and Technology, Peking University（北京大学智能科学与技术学院）
Traffic flow forecasting on graphs has real-world applications in many fields, such as transportation system and computer networks. Traffic forecasting can be highly challenging due to complex spatial-temporal correlations and non-linear traffic patterns. Existing works mostly model such spatial-temporal dependencies by considering spatial correlations and temporal correlations separately and fail to model the direct spatial-temporal correlations. Inspired by the recent success of transformers in the graph domain, in this paper, we propose to directly model the cross-spatial-temporal correlati…
Traffic forecasting has emerged as a core component of intelligent transportation systems. However, timely accurate traffic forecasting, especially long-term forecasting, still remains an open challenge due to the highly nonlinear and dynamic spatial-temporal dependencies of traffic flows. In this paper, we propose a novel paradigm of Spatial-Temporal Transformer Networks (STTNs) that leverages dynamical directed spatial dependencies and long-range temporal dependencies to improve the accuracy of long-term traffic forecasting. Specifically, we present a new variant of graph neural networks, na…
Hyper-STTN: Hypergraph Augmented Spatial-Temporal Transformer Network for Trajectory Prediction
School of Applied and Creative Computing, Purdue University（普渡大学应用与创意计算学院）；Department of Computer Science and Department of Intelligent Systems Engineering, Indiana University Bloomington（印第安纳大学布卢明顿分校计算机科学系和智能系统工程系）；Department of Applied Artificial Intelligence, Sungkyunkwan University（成均馆大学应用人工智能系）
ETH Zurich（苏黎世联邦理工学院）；University of Zurich（苏黎世大学）；Uppsala University（乌普萨拉大学）
3D microscopy is key in the investigation of diverse biological systems, and the ever increasing availability of large datasets demands automatic cell identification methods that not only are accurate, but also can imply the uncertainty in their predictions to inform about potential errors and hence confidence in conclusions using them. While conventional deep learning methods often yield deterministic results, advances in deep Bayesian learning allow for accurate predictions with a probabilistic interpretation in numerous image classification and segmentation tasks. It is however nontrivial t…
