libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator-simulator-allocator paradigm, where generators produce input for simulators, simulators evaluate those inputs, and allocators decide whether and when a simulator or generator should be called. The generator steers the ensemble based on simulation results. libEnsemble communicates between a manager and workers. Flexibility is provided through multiple manager-worker communication substrates each of which has different benefits. These include Python's multiprocessing, mpi4py, and TCP. Multisite ensembles are supported using Balsam or Globus Compute. We overview the unique characteristics of libEnsemble as well as current and potential interoperability with other packages in the workflow ecosystem. We highlight libEnsemble's dynamic resource features: libEnsemble can detect system resources (nodes, cores, and GPUs) and assign these in a portable way. These features allow users to specify resources required for each simulation automatically on a range of systems, including Frontier, Aurora, and Perlmutter. Such ensembles can include multiple simulation types, some using GPUs and others using only CPUs, sharing nodes for maximum efficiency. We demonstrate libEnsemble's capabilities, scalability, and scientific impact via a Gaussian process surrogate training problem for the longitudinal density profile at the exit of a plasma accelerator stage using Wake-T and WarpX simulations. We also describe the benefits of libEnsemble's generator-simulator coupling, which easily exposes to the user the ability to cancel, and portably kill, running simulations. Such control can be directed from the generator or allocator based on models that are updated with intermediate simulation output.
With the urgent demand for generalized deep models, many pre-trained big models are proposed, such as BERT, ViT, GPT, etc. Inspired by the success of these models in single domains (like computer vision and natural language processing), the multi-modal pre-trained big models have also drawn more and more attention in recent years. In this work, we give a comprehensive survey of these models and hope this paper could provide new insights and helps fresh researchers to track the most cutting-edge works. Specifically, we firstly introduce the background of multi-modal pre-training by reviewing the conventional deep learning, pre-training works in natural language process, computer vision, and speech. Then, we introduce the task definition, key challenges, and advantages of multi-modal pre-training models (MM-PTMs), and discuss the MM-PTMs with a focus on data, objectives, network architectures, and knowledge enhanced pre-training. After that, we introduce the downstream tasks used for the validation of large-scale MM-PTMs, including generative, classification, and regression tasks. We also give visualization and analysis of the model parameters and results on representative downstream tasks. Finally, we point out possible research directions for this topic that may benefit future works. In addition, we maintain a continuously updated paper list for large-scale pre-trained multi-modal big models: //github.com/wangxiao5791509/MultiModal_BigModels_Survey
In large-scale systems there are fundamental challenges when centralised techniques are used for task allocation. The number of interactions is limited by resource constraints such as on computation, storage, and network communication. We can increase scalability by implementing the system as a distributed task-allocation system, sharing tasks across many agents. However, this also increases the resource cost of communications and synchronisation, and is difficult to scale. In this paper we present four algorithms to solve these problems. The combination of these algorithms enable each agent to improve their task allocation strategy through reinforcement learning, while changing how much they explore the system in response to how optimal they believe their current strategy is, given their past experience. We focus on distributed agent systems where the agents' behaviours are constrained by resource usage limits, limiting agents to local rather than system-wide knowledge. We evaluate these algorithms in a simulated environment where agents are given a task composed of multiple subtasks that must be allocated to other agents with differing capabilities, to then carry out those tasks. We also simulate real-life system effects such as networking instability. Our solution is shown to solve the task allocation problem to 6.7% of the theoretical optimal within the system configurations considered. It provides 5x better performance recovery over no-knowledge retention approaches when system connectivity is impacted, and is tested against systems up to 100 agents with less than a 9% impact on the algorithms' performance.
Deep Learning (DL) is the most widely used tool in the contemporary field of computer vision. Its ability to accurately solve complex problems is employed in vision research to learn deep neural models for a variety of tasks, including security critical applications. However, it is now known that DL is vulnerable to adversarial attacks that can manipulate its predictions by introducing visually imperceptible perturbations in images and videos. Since the discovery of this phenomenon in 2013~[1], it has attracted significant attention of researchers from multiple sub-fields of machine intelligence. In [2], we reviewed the contributions made by the computer vision community in adversarial attacks on deep learning (and their defenses) until the advent of year 2018. Many of those contributions have inspired new directions in this area, which has matured significantly since witnessing the first generation methods. Hence, as a legacy sequel of [2], this literature review focuses on the advances in this area since 2018. To ensure authenticity, we mainly consider peer-reviewed contributions published in the prestigious sources of computer vision and machine learning research. Besides a comprehensive literature review, the article also provides concise definitions of technical terminologies for non-experts in this domain. Finally, this article discusses challenges and future outlook of this direction based on the literature reviewed herein and [2].
The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.
We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.
Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means GNNs that are not able to predict node clustering coefficients and shortest path distances, and cannot differentiate between different d-regular graphs. Here we develop a class of message passing GNNs, named Identity-aware Graph Neural Networks (ID-GNNs), with greater expressive power than the 1-WL test. ID-GNN offers a minimal but powerful solution to limitations of existing GNNs. ID-GNN extends existing GNN architectures by inductively considering nodes' identities during message passing. To embed a given node, ID-GNN first extracts the ego network centered at the node, then conducts rounds of heterogeneous message passing, where different sets of parameters are applied to the center node than to other surrounding nodes in the ego network. We further propose a simplified but faster version of ID-GNN that injects node identity information as augmented node features. Altogether, both versions of ID-GNN represent general extensions of message passing GNNs, where experiments show that transforming existing GNNs to ID-GNNs yields on average 40% accuracy improvement on challenging node, edge, and graph property prediction tasks; 3% accuracy improvement on node and graph classification benchmarks; and 15% ROC AUC improvement on real-world link prediction tasks. Additionally, ID-GNNs demonstrate improved or comparable performance over other task-specific graph networks.
Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.
*《Connections between Support Vector Machines, Wasserstein distance and gradient-penalty GANs》A Jolicoeur-Martineau, I Mitliagkas [Mila] (2019)
We introduce a new language representation model called BERT, which stands for Bidirectional Encoder Representations from Transformers. Unlike recent language representation models, BERT is designed to pre-train deep bidirectional representations by jointly conditioning on both left and right context in all layers. As a result, the pre-trained BERT representations can be fine-tuned with just one additional output layer to create state-of-the-art models for a wide range of tasks, such as question answering and language inference, without substantial task-specific architecture modifications. BERT is conceptually simple and empirically powerful. It obtains new state-of-the-art results on eleven natural language processing tasks, including pushing the GLUE benchmark to 80.4% (7.6% absolute improvement), MultiNLI accuracy to 86.7 (5.6% absolute improvement) and the SQuAD v1.1 question answering Test F1 to 93.2 (1.5% absolute improvement), outperforming human performance by 2.0%.
Recommender systems are widely used in big information-based companies such as Google, Twitter, LinkedIn, and Netflix. A recommender system deals with the problem of information overload by filtering important information fragments according to users' preferences. In light of the increasing success of deep learning, recent studies have proved the benefits of using deep learning in various recommendation tasks. However, most proposed techniques only aim to target individuals, which cannot be efficiently applied in group recommendation. In this paper, we propose a deep learning architecture to solve the group recommendation problem. On the one hand, as different individual preferences in a group necessitate preference trade-offs in making group recommendations, it is essential that the recommendation model can discover substitutes among user behaviors. On the other hand, it has been observed that a user as an individual and as a group member behaves differently. To tackle such problems, we propose using an attention mechanism to capture the impact of each user in a group. Specifically, our model automatically learns the influence weight of each user in a group and recommends items to the group based on its members' weighted preferences. We conduct extensive experiments on four datasets. Our model significantly outperforms baseline methods and shows promising results in applying deep learning to the group recommendation problem.