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During the last decade, Machine Learning (ML) has increasingly become a hot topic in the field of Computer Networks and is expected to be gradually adopted for a plethora of control, monitoring and management tasks in real-world deployments. This poses the need to count on new generations of students, researchers and practitioners with a solid background in ML applied to networks. During 2020, the International Telecommunication Union (ITU) has organized the "ITU AI/ML in 5G challenge'', an open global competition that has introduced to a broad audience some of the current main challenges in ML for networks. This large-scale initiative has gathered 23 different challenges proposed by network operators, equipment manufacturers and academia, and has attracted a total of 1300+ participants from 60+ countries. This paper narrates our experience organizing one of the proposed challenges: the "Graph Neural Networking Challenge 2020''. We describe the problem presented to participants, the tools and resources provided, some organization aspects and participation statistics, an outline of the top-3 awarded solutions, and a summary with some lessons learned during all this journey. As a result, this challenge leaves a curated set of educational resources openly available to anyone interested in the topic.
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Brain functional connectivity (FC) reveals biomarkers for identification of various neuropsychiatric disorders. Recent application of deep neural networks (DNNs) to connectome-based classification mostly relies on traditional convolutional neural networks using input connectivity matrices on a regular Euclidean grid. We propose a graph deep learning framework to incorporate the non-Euclidean information about graph structure for classifying functional magnetic resonance imaging (fMRI)-derived brain networks in major depressive disorder (MDD). We design a novel graph autoencoder (GAE) architecture based on the graph convolutional networks (GCNs) to embed the topological structure and node content of large-sized fMRI networks into low-dimensional latent representations. In network construction, we employ the Ledoit-Wolf (LDW) shrinkage method to estimate the high-dimensional FC metrics efficiently from fMRI data. We consider both supervised and unsupervised approaches for the graph embedding learning. The learned embeddings are then used as feature inputs for a deep fully-connected neural network (FCNN) to discriminate MDD from healthy controls. Evaluated on two resting-state fMRI (rs-fMRI) MDD datasets, results show that the proposed GAE-FCNN model significantly outperforms several state-of-the-art methods for brain connectome classification, achieving the best accuracy using the LDW-FC edges as node features. The graph embeddings of fMRI FC networks learned by the GAE also reveal apparent group differences between MDD and HC. Our new framework demonstrates feasibility of learning graph embeddings on brain networks to provide discriminative information for diagnosis of brain disorders.
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E-commerce sites strive to provide users the most timely relevant information in order to reduce shopping frictions and increase customer satisfaction. Multi armed bandit models (MAB) as a type of adaptive optimization algorithms provide possible approaches for such purposes. In this paper, we analyze using three classic MAB algorithms, epsilon-greedy, Thompson sampling (TS), and upper confidence bound 1 (UCB1) for dynamic content recommendations, and walk through the process of developing these algorithms internally to solve a real world e-commerce use case. First, we analyze the three MAB algorithms using simulated purchasing datasets with non-stationary reward distributions to simulate the possible time-varying customer preferences, where the traffic allocation dynamics and the accumulative rewards of different algorithms are studied. Second, we compare the accumulative rewards of the three MAB algorithms with more than 1,000 trials using actual historical A/B test datasets. We find that the larger difference between the success rates of competing recommendations the more accumulative rewards the MAB algorithms can achieve. In addition, we find that TS shows the highest average accumulative rewards under different testing scenarios. Third, we develop a batch-updated MAB algorithm to overcome the delayed reward issue in e-commerce and enable an online content optimization on our App homepage. For a state-of-the-art comparison, a real A/B test among our batch-updated MAB algorithm, a third-party MAB solution, and the default business logic are conducted. The result shows that our batch-updated MAB algorithm outperforms the counterparts and achieves 6.13% relative click-through rate (CTR) increase and 16.1% relative conversion rate (CVR) increase compared to the default experience, and 2.9% relative CTR increase and 1.4% relative CVR increase compared to the external MAB service.
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Artificial intelligence (AI) and Machine learning (ML) workloads are an increasingly larger share of the compute workloads in traditional High-Performance Computing (HPC) centers and commercial cloud systems. This has led to changes in deployment approaches of HPC clusters and the commercial cloud, as well as a new focus on approaches to optimized resource usage, allocations and deployment of new AI frame- works, and capabilities such as Jupyter notebooks to enable rapid prototyping and deployment. With these changes, there is a need to better understand cluster/datacenter operations with the goal of developing improved scheduling policies, identifying inefficiencies in resource utilization, energy/power consumption, failure prediction, and identifying policy violations. In this paper we introduce the MIT Supercloud Dataset which aims to foster innovative AI/ML approaches to the analysis of large scale HPC and datacenter/cloud operations. We provide detailed monitoring logs from the MIT Supercloud system, which include CPU and GPU usage by jobs, memory usage, file system logs, and physical monitoring data. This paper discusses the details of the dataset, collection methodology, data availability, and discusses potential challenge problems being developed using this data. Datasets and future challenge announcements will be available via https://dcc.mit.edu.
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Understanding a controller's performance in different scenarios is crucial for robots that are going to be deployed in safety-critical tasks. If we do not have a model of the dynamics of the world, which is often the case in complex domains, we may need to approximate a performance function of the robot based on its interaction with the environment. Such a performance function gives us insights into the behaviour of the robot, allowing us to fine-tune the controller with manual interventions. In high-dimensionality systems, where the actionstate space is large, fine-tuning a controller is non-trivial. To overcome this problem, we propose a performance function whose domain is defined by external features and parameters of the controller. Attainment regions are defined over such a domain defined by feature-parameter pairs, and serve the purpose of enabling prediction of successful execution of the task. The use of the feature-parameter space -in contrast to the action-state space- allows us to adapt, explain and finetune the controller over a simpler (i.e., lower dimensional space). When the robot successfully executes the task, we use the attainment regions to gain insights into the limits of the controller, and its robustness. When the robot fails to execute the task, we use the regions to debug the controller and find adaptive and counterfactual changes to the solutions. Another advantage of this approach is that we can generalise through the use of Gaussian processes regression of the performance function in the high-dimensional space. To test our approach, we demonstrate learning an approximation to the performance function in simulation, with a mobile robot traversing different terrain conditions. Then, with a sample-efficient method, we propagate the attainment regions to a physical robot in a similar environment.
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Realizing today's cloud-level artificial intelligence functionalities directly on devices distributed at the edge of the internet calls for edge hardware capable of processing multiple modalities of sensory data (e.g. video, audio) at unprecedented energy-efficiency. AI hardware architectures today cannot meet the demand due to a fundamental "memory wall": data movement between separate compute and memory units consumes large energy and incurs long latency. Resistive random-access memory (RRAM) based compute-in-memory (CIM) architectures promise to bring orders of magnitude energy-efficiency improvement by performing computation directly within memory. However, conventional approaches to CIM hardware design limit its functional flexibility necessary for processing diverse AI workloads, and must overcome hardware imperfections that degrade inference accuracy. Such trade-offs between efficiency, versatility and accuracy cannot be addressed by isolated improvements on any single level of the design. By co-optimizing across all hierarchies of the design from algorithms and architecture to circuits and devices, we present NeuRRAM - the first multimodal edge AI chip using RRAM CIM to simultaneously deliver a high degree of versatility for diverse model architectures, record energy-efficiency $5\times$ - $8\times$ better than prior art across various computational bit-precisions, and inference accuracy comparable to software models with 4-bit weights on all measured standard AI benchmarks including accuracy of 99.0% on MNIST and 85.7% on CIFAR-10 image classification, 84.7% accuracy on Google speech command recognition, and a 70% reduction in image reconstruction error on a Bayesian image recovery task. This work paves a way towards building highly efficient and reconfigurable edge AI hardware platforms for the more demanding and heterogeneous AI applications of the future.
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Currently, there is a burgeoning demand for deploying deep learning (DL) models on ubiquitous edge Internet of Things (IoT) devices attributed to their low latency and high privacy preservation. However, DL models are often large in size and require large-scale computation, which prevents them from being placed directly onto IoT devices, where resources are constrained and 32-bit floating-point (float-32) operations are unavailable. Commercial framework (i.e., a set of toolkits) empowered model quantization is a pragmatic solution that enables DL deployment on mobile devices and embedded systems by effortlessly post-quantizing a large high-precision model (e.g., float-32) into a small low-precision model (e.g., int-8) while retaining the model inference accuracy. However, their usability might be threatened by security vulnerabilities. This work reveals that the standard quantization toolkits can be abused to activate a backdoor. We demonstrate that a full-precision backdoored model which does not have any backdoor effect in the presence of a trigger -- as the backdoor is dormant -- can be activated by the default i) TensorFlow-Lite (TFLite) quantization, the only product-ready quantization framework to date, and ii) the beta released PyTorch Mobile framework. When each of the float-32 models is converted into an int-8 format model through the standard TFLite or Pytorch Mobile framework's post-training quantization, the backdoor is activated in the quantized model, which shows a stable attack success rate close to 100% upon inputs with the trigger, while it behaves normally upon non-trigger inputs. This work highlights that a stealthy security threat occurs when an end user utilizes the on-device post-training model quantization frameworks, informing security researchers of cross-platform overhaul of DL models post quantization even if these models pass front-end backdoor inspections.
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Real world tournaments are almost always intransitive. Recent works have noted that parametric models which assume $d$ dimensional node representations can effectively model intransitive tournaments. However, nothing is known about the structure of the class of tournaments that arise out of any fixed $d$ dimensional representations. In this work, we develop a novel theory for understanding parametric tournament representations. Our first contribution is to structurally characterize the class of tournaments that arise out of $d$ dimensional representations. We do this by showing that these tournament classes have forbidden configurations which must necessarily be union of flip classes, a novel way to partition the set of all tournaments. We further characterise rank $2$ tournaments completely by showing that the associated forbidden flip class contains just $2$ tournaments. Specifically, we show that the rank $2$ tournaments are equivalent to locally-transitive tournaments. This insight allows us to show that the minimum feedback arc set problem on this tournament class can be solved using the standard Quicksort procedure. For a general rank $d$ tournament class, we show that the flip class associated with a coned-doubly regular tournament of size $\mathcal{O}(\sqrt{d})$ must be a forbidden configuration. To answer a dual question, using a celebrated result of \cite{forster}, we show a lower bound of $\mathcal{O}(\sqrt{n})$ on the minimum dimension needed to represent all tournaments on $n$ nodes. For any given tournament, we show a novel upper bound on the smallest representation dimension that depends on the least size of the number of unique nodes in any feedback arc set of the flip class associated with a tournament. We show how our results also shed light on upper bound of sign-rank of matrices.
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Extensive research has been performed on continuous, non-invasive, cuffless blood pressure (BP) measurement using artificial intelligence algorithms. This approach involves extracting certain features from physiological signals like ECG, PPG, ICG, BCG, etc. as independent variables and extracting features from Arterial Blood Pressure (ABP) signals as dependent variables, and then using machine learning algorithms to develop a blood pressure estimation model based on these data. The greatest challenge of this field is the insufficient accuracy of estimation models. This paper proposes a novel blood pressure estimation method with a clustering step for accuracy improvement. The proposed method involves extracting Pulse Transit Time (PTT), PPG Intensity Ratio (PIR), and Heart Rate (HR) features from Electrocardiogram (ECG) and Photoplethysmogram (PPG) signals as the inputs of clustering and regression, extracting Systolic Blood Pressure (SBP) and Diastolic Blood Pressure (DBP) features from ABP signals as dependent variables, and finally developing regression models by applying Gradient Boosting Regression (GBR), Random Forest Regression (RFR), and Multilayer Perceptron Regression (MLP) on each cluster. The method was implemented using the MIMICII dataset with the silhouette criterion used to determine the optimal number of clusters. The results showed that because of the inconsistency, high dispersion, and multi-trend behavior of the extracted features vectors, the accuracy can be significantly improved by running a clustering algorithm and then developing a regression model on each cluster, and finally weighted averaging of the results based on the error of each cluster. When implemented with 5 clusters and GBR, this approach yielded an MAE of 2.56 for SBP estimates and 2.23 for DBP estimates, which were significantly better than the best results without clustering (DBP: 6.27, SBP: 6.36).
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Adversarial attacks against commercial black-box speech platforms, including cloud speech APIs and voice control devices, have received little attention until recent years. The current "black-box" attacks all heavily rely on the knowledge of prediction/confidence scores to craft effective adversarial examples, which can be intuitively defended by service providers without returning these messages. In this paper, we propose two novel adversarial attacks in more practical and rigorous scenarios. For commercial cloud speech APIs, we propose Occam, a decision-only black-box adversarial attack, where only final decisions are available to the adversary. In Occam, we formulate the decision-only AE generation as a discontinuous large-scale global optimization problem, and solve it by adaptively decomposing this complicated problem into a set of sub-problems and cooperatively optimizing each one. Our Occam is a one-size-fits-all approach, which achieves 100% success rates of attacks with an average SNR of 14.23dB, on a wide range of popular speech and speaker recognition APIs, including Google, Alibaba, Microsoft, Tencent, iFlytek, and Jingdong, outperforming the state-of-the-art black-box attacks. For commercial voice control devices, we propose NI-Occam, the first non-interactive physical adversarial attack, where the adversary does not need to query the oracle and has no access to its internal information and training data. We combine adversarial attacks with model inversion attacks, and thus generate the physically-effective audio AEs with high transferability without any interaction with target devices. Our experimental results show that NI-Occam can successfully fool Apple Siri, Microsoft Cortana, Google Assistant, iFlytek and Amazon Echo with an average SRoA of 52% and SNR of 9.65dB, shedding light on non-interactive physical attacks against voice control devices.
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A general-purpose robot should be able to master a wide range of tasks and quickly learn a novel one by leveraging past experiences. One-shot imitation learning (OSIL) approaches this goal by training an agent with (pairs of) expert demonstrations, such that at test time, it can directly execute a new task from just one demonstration. However, so far this framework has been limited to training on many variations of one task, and testing on other unseen but similar variations of the same task. In this work, we push for a higher level of generalization ability by investigating a more ambitious multi-task setup. We introduce a diverse suite of vision-based robot manipulation tasks, consisting of 7 tasks, a total of 61 variations, and a continuum of instances within each variation. For consistency and comparison purposes, we first train and evaluate single-task agents (as done in prior few-shot imitation work). We then study the multi-task setting, where multi-task training is followed by (i) one-shot imitation on variations within the training tasks, (ii) one-shot imitation on new tasks, and (iii) fine-tuning on new tasks. Prior state-of-the-art, while performing well within some single tasks, struggles in these harder multi-task settings. To address these limitations, we propose MOSAIC (Multi-task One-Shot Imitation with self-Attention and Contrastive learning), which integrates a self-attention model architecture and a temporal contrastive module to enable better task disambiguation and more robust representation learning. Our experiments show that MOSAIC outperforms prior state of the art in learning efficiency, final performance, and learns a multi-task policy with promising generalization ability via fine-tuning on novel tasks.
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Deep learning frameworks such as TensorFlow and PyTorch provide a productive interface for expressing and training a deep neural network (DNN) model on a single device or using data parallelism. Still, they may not be flexible or efficient enough in training emerging large models on distributed devices, which require more sophisticated parallelism beyond data parallelism. Plugins or wrappers have been developed to strengthen these frameworks for model or pipeline parallelism, but they complicate the usage and implementation of distributed deep learning. Aiming at a simple, neat redesign of distributed deep learning frameworks for various parallelism paradigms, we present OneFlow, a novel distributed training framework based on an SBP (split, broadcast and partial-value) abstraction and the actor model. SBP enables much easier programming of data parallelism and model parallelism than existing frameworks, and the actor model provides a succinct runtime mechanism to manage the complex dependencies imposed by resource constraints, data movement and computation in distributed deep learning. We demonstrate the general applicability and efficiency of OneFlow for training various large DNN models with case studies and extensive experiments. The results show that OneFlow outperforms many well-known customized libraries built on top of the state-of-the-art frameworks. The code of OneFlow is available at: https://github.com/Oneflow-Inc/oneflow.
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A practical approach to learning robot skills, often termed sim2real, is to train control policies in simulation and then deploy them on a real robot. Popular techniques to improve the sim2real transfer build on domain randomization (DR) -- training the policy on a diverse set of randomly generated domains with the hope of better generalization to the real world. Due to the large number of hyper-parameters in both the policy learning and DR algorithms, one often ends up with a large number of trained policies, where choosing the best policy among them demands costly evaluation on the real robot. In this work we ask - can we rank the policies without running them in the real world? Our main idea is that a predefined set of real world data can be used to evaluate all policies, using out-of-distribution detection (OOD) techniques. In a sense, this approach can be seen as a `unit test' to evaluate policies before any real world execution. However, we find that by itself, the OOD score can be inaccurate and very sensitive to the particular OOD method. Our main contribution is a simple-yet-effective policy score that combines OOD with an evaluation in simulation. We show that our score - VSDR - can significantly improve the accuracy of policy ranking without requiring additional real world data. We evaluate the effectiveness of VSDR on sim2real transfer in a robotic grasping task with image inputs. We extensively evaluate different DR parameters and OOD methods, and show that VSDR improves policy selection across the board. More importantly, our method achieves significantly better ranking, and uses significantly less data compared to baselines. Project website is available at https://sites.google.com/view/vsdr/home.
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Ethics statements have been proposed as a mechanism to increase transparency and promote reflection on the societal impacts of published research. In 2020, the machine learning (ML) conference NeurIPS broke new ground by requiring that all papers include a broader impact statement. This requirement was removed in 2021, in favour of a checklist approach. The 2020 statements therefore provide a unique opportunity to learn from the broader impact experiment: to investigate the benefits and challenges of this and similar governance mechanisms, as well as providing an insight into how ML researchers think about the societal impacts of their own work. Such learning is needed as NeurIPS and other venues continue to question and adapt their policies. To enable this, we have created a dataset containing the impact statements from all NeurIPS 2020 papers, along with additional information such as affiliation type, location and subject area, and a simple visualisation tool for exploration. We also provide an initial quantitative analysis of the dataset, covering representation, engagement, common themes, and willingness to discuss potential harms alongside benefits. We investigate how these vary by geography, affiliation type and subject area. Drawing on these findings, we discuss the potential benefits and negative outcomes of ethics statement requirements, and their possible causes and associated challenges. These lead us to several lessons to be learnt from the 2020 requirement: (i) the importance of creating the right incentives, (ii) the need for clear expectations and guidance, and (iii) the importance of transparency and constructive deliberation. We encourage other researchers to use our dataset to provide additional analysis, to further our understanding of how researchers responded to this requirement, and to investigate the benefits and challenges of this and related mechanisms.
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There were fierce debates on whether the non-linear embedding propagation of GCNs is appropriate to GCN-based recommender systems. It was recently found that the linear embedding propagation shows better accuracy than the non-linear embedding propagation. Since this phenomenon was discovered especially in recommender systems, it is required that we carefully analyze the linearity and non-linearity issue. In this work, therefore, we revisit the issues of i) which of the linear or non-linear propagation is better and ii) which factors of users/items decide the linearity/non-linearity of the embedding propagation. We propose a novel Hybrid Method of Linear and non-linEar collaborative filTering method (HMLET, pronounced as Hamlet). In our design, there exist both linear and non-linear propagation steps, when processing each user or item node, and our gating module chooses one of them, which results in a hybrid model of the linear and non-linear GCN-based collaborative filtering (CF). The proposed model yields the best accuracy in three public benchmark datasets. Moreover, we classify users/items into the following three classes depending on our gating modules' selections: Full-Non-Linearity (FNL), Partial-Non-Linearity (PNL), and Full-Linearity (FL). We found that there exist strong correlations between nodes' centrality and their class membership, i.e., important user/item nodes exhibit more preferences towards the non-linearity during the propagation steps. To our knowledge, we are the first who design a hybrid method and report the correlation between the graph centrality and the linearity/non-linearity of nodes. All HMLET codes and datasets are available at: https://github.com/qbxlvnf11/HMLET.
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A backdoor deep learning (DL) model behaves normally upon clean inputs but misbehaves upon trigger inputs as the backdoor attacker desires, posing severe consequences to DL model deployments. State-of-the-art defenses are either limited to specific backdoor attacks (source-agnostic attacks) or non-user-friendly in that machine learning (ML) expertise or expensive computing resources are required. This work observes that all existing backdoor attacks have an inevitable intrinsic weakness, non-transferability, that is, a trigger input hijacks a backdoored model but cannot be effective to another model that has not been implanted with the same backdoor. With this key observation, we propose non-transferability enabled backdoor detection (NTD) to identify trigger inputs for a model-under-test (MUT) during run-time.Specifically, NTD allows a potentially backdoored MUT to predict a class for an input. In the meantime, NTD leverages a feature extractor (FE) to extract feature vectors for the input and a group of samples randomly picked from its predicted class, and then compares similarity between the input and the samples in the FE's latent space. If the similarity is low, the input is an adversarial trigger input; otherwise, benign. The FE is a free pre-trained model privately reserved from open platforms. As the FE and MUT are from different sources, the attacker is very unlikely to insert the same backdoor into both of them. Because of non-transferability, a trigger effect that does work on the MUT cannot be transferred to the FE, making NTD effective against different types of backdoor attacks. We evaluate NTD on three popular customized tasks such as face recognition, traffic sign recognition and general animal classification, results of which affirm that NDT has high effectiveness (low false acceptance rate) and usability (low false rejection rate) with low detection latency.
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The Observation--Hypothesis--Prediction--Experimentation loop paradigm for scientific research has been practiced by researchers for years towards scientific discoveries. However, with data explosion in both mega-scale and milli-scale scientific research, it has been sometimes very difficult to manually analyze the data and propose new hypotheses to drive the cycle for scientific discovery. In this paper, we discuss the role of Explainable AI in scientific discovery process by demonstrating an Explainable AI-based paradigm for science discovery. The key is to use Explainable AI to help derive data or model interpretations, hypotheses, as well as scientific discoveries or insights. We show how computational and data-intensive methodology -- together with experimental and theoretical methodology -- can be seamlessly integrated for scientific research. To demonstrate the AI-based science discovery process, and to pay our respect to some of the greatest minds in human history, we show how Kepler's laws of planetary motion and Newton's law of universal gravitation can be rediscovered by (Explainable) AI based on Tycho Brahe's astronomical observation data, whose works were leading the scientific revolution in the 16-17th century. This work also highlights the important role of Explainable AI (as compared to Blackbox AI) in science discovery to help humans prevent or better prepare for the possible technological singularity that may happen in the future, since science is not only about the know how, but also the know why. Presentation of the work is available at https://slideslive.com/38986142/from-kepler-to-newton-explainable-ai-for-science-discovery.
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Highly dynamic mobile ad-hoc networks (MANETs) remain as one of the most challenging environments to develop and deploy robust, efficient, and scalable routing protocols. In this paper, we present DeepCQ+ routing protocol which, in a novel manner integrates emerging multi-agent deep reinforcement learning (MADRL) techniques into existing Q-learning-based routing protocols and their variants and achieves persistently higher performance across a wide range of topology and mobility configurations. While keeping the overall protocol structure of the Q-learning-based routing protocols, DeepCQ+ replaces statically configured parameterized thresholds and hand-written rules with carefully designed MADRL agents such that no configuration of such parameters is required a priori. Extensive simulation shows that DeepCQ+ yields significantly increased end-to-end throughput with lower overhead and no apparent degradation of end-to-end delays (hop counts) compared to its Q-learning based counterparts. Qualitatively, and perhaps more significantly, DeepCQ+ maintains remarkably similar performance gains under many scenarios that it was not trained for in terms of network sizes, mobility conditions, and traffic dynamics. To the best of our knowledge, this is the first successful application of the MADRL framework for the MANET routing problem that demonstrates a high degree of scalability and robustness even under environments that are outside the trained range of scenarios. This implies that our MARL-based DeepCQ+ design solution significantly improves the performance of Q-learning based CQ+ baseline approach for comparison and increases its practicality and explainability because the real-world MANET environment will likely vary outside the trained range of MANET scenarios. Additional techniques to further increase the gains in performance and scalability are discussed.
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The increasing use of Machine Learning (ML) components embedded in autonomous systems -- so-called Learning-Enabled Systems (LESs) -- has resulted in the pressing need to assure their functional safety. As for traditional functional safety, the emerging consensus within both, industry and academia, is to use assurance cases for this purpose. Typically assurance cases support claims of reliability in support of safety, and can be viewed as a structured way of organising arguments and evidence generated from safety analysis and reliability modelling activities. While such assurance activities are traditionally guided by consensus-based standards developed from vast engineering experience, LESs pose new challenges in safety-critical application due to the characteristics and design of ML models. In this article, we first present an overall assurance framework for LESs with an emphasis on quantitative aspects, e.g., breaking down system-level safety targets to component-level requirements and supporting claims stated in reliability metrics. We then introduce a novel model-agnostic Reliability Assessment Model (RAM) for ML classifiers that utilises the operational profile and robustness verification evidence. We discuss the model assumptions and the inherent challenges of assessing ML reliability uncovered by our RAM and propose solutions to practical use. Probabilistic safety argument templates at the lower ML component-level are also developed based on the RAM. Finally, to evaluate and demonstrate our methods, we not only conduct experiments on synthetic/benchmark datasets but also scope our methods with case studies on simulated Autonomous Underwater Vehicles and physical Unmanned Ground Vehicles.
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Distributed training has become a pervasive and effective approach for training a large neural network (NN) model with processing massive data. However, it is very challenging to satisfy requirements from various NN models, diverse computing resources, and their dynamic changes during a training job. In this study, we design our distributed training framework in a systematic end-to-end view to provide the built-in adaptive ability for different scenarios, especially for industrial applications and production environments, by fully considering resource allocation, model partition, task placement, and distributed execution. Based on the unified distributed graph and the unified cluster object, our adaptive framework is equipped with a global cost model and a global planner, which can enable arbitrary parallelism, resource-aware placement, multi-mode execution, fault-tolerant, and elastic distributed training. The experiments demonstrate that our framework can satisfy various requirements from the diversity of applications and the heterogeneity of resources with highly competitive performance. The ERNIE language model with 260 billion parameters is efficiently trained on thousands of AI processors with 91.7% weak scalability. The throughput of the model from the recommender system by employing the heterogeneous pipeline asynchronous execution can be increased up to 2.1 times and 3.3 times that of the GPU-only and CPU-only training respectively. Moreover, the fault-tolerant and elastic distributed training have been successfully applied to the online industrial applications, which give a reduction of 34.49% in the number of failed long-term training jobs and an increase of 33.91% for the global scheduling efficiency in the production environment.
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The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science.
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In this paper, we propose PATO-a producibility-aware topology optimization (TO) framework to help efficiently explore the design space of components fabricated using metal additive manufacturing (AM), while ensuring manufacturability with respect to cracking. Specifically, parts fabricated through Laser Powder Bed Fusion are prone to defects such as warpage or cracking due to high residual stress values generated from the steep thermal gradients produced during the build process. Maturing the design for such parts and planning their fabrication can span months to years, often involving multiple handoffs between design and manufacturing engineers. PATO is based on the a priori discovery of crack-free designs, so that the optimized part can be built defect-free at the outset. To ensure that the design is crack free during optimization, producibility is explicitly encoded within the standard formulation of TO, using a crack index. Multiple crack indices are explored and using experimental validation, maximum shear strain index (MSSI) is shown to be an accurate crack index. Simulating the build process is a coupled, multi-physics computation and incorporating it in the TO loop can be computationally prohibitive. We leverage the current advances in deep convolutional neural networks and present a high-fidelity surrogate model based on an Attention-based U-Net architecture to predict the MSSI values as a spatially varying field over the part's domain. Further, we employ automatic differentiation to directly compute the gradient of maximum MSSI with respect to the input design variables and augment it with the performance-based sensitivity field to optimize the design while considering the trade-off between weight, manufacturability, and functionality. We demonstrate the effectiveness of the proposed method through benchmark studies in 3D as well as experimental validation.
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The main objective of this paper is to outline a theoretical framework to characterise humans' decision-making strategies under uncertainty, in particular active learning in a black-box optimization task and trading-off between information gathering (exploration) and reward seeking (exploitation). Humans' decisions making according to these two objectives can be modelled in terms of Pareto rationality. If a decision set contains a Pareto efficient strategy, a rational decision maker should always select the dominant strategy over its dominated alternatives. A distance from the Pareto frontier determines whether a choice is Pareto rational. To collect data about humans' strategies we have used a gaming application that shows the game field, with previous decisions and observations, as well as the score obtained. The key element in this paper is the representation of behavioural patterns of human learners as a discrete probability distribution. This maps the problem of the characterization of humans' behaviour into a space whose elements are probability distributions structured by a distance between histograms, namely the Wasserstein distance (WST). The distributional analysis gives new insights about human search strategies and their deviations from Pareto rationality. Since the uncertainty is one of the two objectives defining the Pareto frontier, the analysis has been performed for three different uncertainty quantification measures to identify which better explains the Pareto compliant behavioural patterns. Beside the analysis of individual patterns WST has also enabled a global analysis computing the barycenters and WST k-means clustering. A further analysis has been performed by a decision tree to relate non-Paretian behaviour, characterized by exasperated exploitation, to the dynamics of the evolution of the reward seeking process.
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Human activities within smart infrastructures generate a vast amount of IMU data from the wearables worn by individuals. Many existing studies rely on such sensory data for human activity recognition (HAR); however, one of the major bottlenecks is their reliance on pre-annotated or labeled data. Manual human-driven annotations are neither scalable nor efficient, whereas existing auto-annotation techniques heavily depend on video signatures. Still, video-based auto-annotation needs high computation resources and has privacy concerns when the data from a personal space, like a smart-home, is transferred to the cloud. This paper exploits the acoustic signatures generated from human activities to label the wearables' IMU data at the edge, thus mitigating resource requirement and data privacy concerns. We utilize acoustic-based pre-trained HAR models for cross-modal labeling of the IMU data even when two individuals perform simultaneous but different activities under the same environmental context. We observe that non-overlapping acoustic gaps exist with a high probability during the simultaneous activities performed by two individuals in the environment's acoustic context, which helps us resolve the overlapping activity signatures to label them individually. A principled evaluation of the proposed approach on two real-life in-house datasets further augmented to create a dual occupant setup, shows that the framework can correctly annotate a significant volume of unlabeled IMU data from both individuals with an accuracy of $\mathbf{82.59\%}$ ($\mathbf{\pm 17.94\%}$) and $\mathbf{98.32\%}$ ($\mathbf{\pm 3.68\%}$), respectively, for a workshop and a kitchen environment.
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A major impediment to successful drug development is the complexity, cost, and scale of clinical trials. The detailed internal structure of clinical trial data can make conventional optimization difficult to achieve. Recent advances in machine learning, specifically graph-structured data analysis, have the potential to enable significant progress in improving the clinical trial design. TrialGraph seeks to apply these methodologies to produce a proof-of-concept framework for developing models which can aid drug development and benefit patients. In this work, we first introduce a curated clinical trial data set compiled from the CT.gov, AACT and TrialTrove databases (n=1191 trials; representing one million patients) and describe the conversion of this data to graph-structured formats. We then detail the mathematical basis and implementation of a selection of graph machine learning algorithms, which typically use standard machine classifiers on graph data embedded in a low-dimensional feature space. We trained these models to predict side effect information for a clinical trial given information on the disease, existing medical conditions, and treatment. The MetaPath2Vec algorithm performed exceptionally well, with standard Logistic Regression, Decision Tree, Random Forest, Support Vector, and Neural Network classifiers exhibiting typical ROC-AUC scores of 0.85, 0.68, 0.86, 0.80, and 0.77, respectively. Remarkably, the best performing classifiers could only produce typical ROC-AUC scores of 0.70 when trained on equivalent array-structured data. Our work demonstrates that graph modelling can significantly improve prediction accuracy on appropriate datasets. Successive versions of the project that refine modelling assumptions and incorporate more data types can produce excellent predictors with real-world applications in drug development.
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Deep Neural Networks (DNNs) have been extensively used in many areas including image processing, medical diagnostics, and autonomous driving. However, DNNs can exhibit erroneous behaviours that may lead to critical errors, especially when used in safety-critical systems. Inspired by testing techniques for traditional software systems, researchers have proposed neuron coverage criteria, as an analogy to source code coverage, to guide the testing of DNN models. Despite very active research on DNN coverage, several recent studies have questioned the usefulness of such criteria in guiding DNN testing. Further, from a practical standpoint, these criteria are white-box as they require access to the internals or training data of DNN models, which is in many contexts not feasible or convenient. In this paper, we investigate black-box input diversity metrics as an alternative to white-box coverage criteria. To this end, we first select and adapt three diversity metrics and study, in a controlled manner, their capacity to measure actual diversity in input sets. We then analyse their statistical association with fault detection using four datasets and five DNN models. We further compare diversity with state-of-the-art white-box coverage criteria. Our experiments show that relying on the diversity of image features embedded in test input sets is a more reliable indicator than coverage criteria to effectively guide the testing of DNNs. Indeed, we found that one of our selected black-box diversity metrics far outperforms existing coverage criteria in terms of fault-revealing capability and computational time. Results also confirm the suspicions that state-of-the-art coverage metrics are not adequate to guide the construction of test input sets to detect as many faults as possible with natural inputs.
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Explainable Artificial Intelligence (XAI) has been identified as a viable method for determining the importance of features when making predictions using Machine Learning (ML) models. In this study, we created models that take an individual's health information (e.g. their drug history and comorbidities) as inputs, and predict the probability that the individual will have an Acute Coronary Syndrome (ACS) adverse outcome. Using XAI, we quantified the contribution that specific drugs had on these ACS predictions, thus creating an XAI-based technique for pharmacovigilance monitoring, using ACS as an example of the adverse outcome to detect. Individuals aged over 65 who were supplied Musculo-skeletal system (anatomical therapeutic chemical (ATC) class M) or Cardiovascular system (ATC class C) drugs between 1993 and 2009 were identified, and their drug histories, comorbidities, and other key features were extracted from linked Western Australian datasets. Multiple ML models were trained to predict if these individuals would have an ACS related adverse outcome (i.e., death or hospitalisation with a discharge diagnosis of ACS), and a variety of ML and XAI techniques were used to calculate which features -- specifically which drugs -- led to these predictions. The drug dispensing features for rofecoxib and celecoxib were found to have a greater than zero contribution to ACS related adverse outcome predictions (on average), and it was found that ACS related adverse outcomes can be predicted with 72% accuracy. Furthermore, the XAI libraries LIME and SHAP were found to successfully identify both important and unimportant features, with SHAP slightly outperforming LIME. ML models trained on linked administrative health datasets in tandem with XAI algorithms can successfully quantify feature importance, and with further development, could potentially be used as pharmacovigilance monitoring techniques.
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One principal impediment in the successful deployment of AI-based Computer-Aided Diagnosis (CAD) systems in clinical workflows is their lack of transparent decision making. Although commonly used eXplainable AI methods provide some insight into opaque algorithms, such explanations are usually convoluted and not readily comprehensible except by highly trained experts. The explanation of decisions regarding the malignancy of skin lesions from dermoscopic images demands particular clarity, as the underlying medical problem definition is itself ambiguous. This work presents ExAID (Explainable AI for Dermatology), a novel framework for biomedical image analysis, providing multi-modal concept-based explanations consisting of easy-to-understand textual explanations supplemented by visual maps justifying the predictions. ExAID relies on Concept Activation Vectors to map human concepts to those learnt by arbitrary Deep Learning models in latent space, and Concept Localization Maps to highlight concepts in the input space. This identification of relevant concepts is then used to construct fine-grained textual explanations supplemented by concept-wise location information to provide comprehensive and coherent multi-modal explanations. All information is comprehensively presented in a diagnostic interface for use in clinical routines. An educational mode provides dataset-level explanation statistics and tools for data and model exploration to aid medical research and education. Through rigorous quantitative and qualitative evaluation of ExAID, we show the utility of multi-modal explanations for CAD-assisted scenarios even in case of wrong predictions. We believe that ExAID will provide dermatologists an effective screening tool that they both understand and trust. Moreover, it will be the basis for similar applications in other biomedical imaging fields.
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