Given the task of landing a ball in a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. Enabling robots to replicate such reasoning is non-trivial as it requires multi-step planning and involves a mixture of discrete and continuous action spaces, a sparse and sensitive reward structure, computationally expensive simulations, and an incomplete understanding of the environment's physics. We present PhyPlan, a physics-informed and adaptable planning framework for efficient multi-step physical reasoning. At its core, PhyPlan comprises of Generative Flow Networks (GFlowNets) and Monte Carlo Tree Search (MCTS) to explore and evaluate sequences of object interactions. GFlowNets sample discrete action sequences in proportion to their associated reward, enabling broad and reward-driven exploration of the discrete planning space. MCTS complements this by adaptively balancing the use of a fast but approximate pre-trained physics-informed dynamics predictor and costly but accurate environment rollouts, ensuring both speed and precision in planning. The known and actual physics discrepancy is captured using Gaussian Process Regression. Experiments on benchmark simulated tasks requiring composition of collisions, slides, and rebounds demonstrate that PhyPlan achieves a 45\% higher success rate and up to 3× efficiency gains over state-of-the-art model-based reinforcement learning approaches.

Coupled simulation, also known as co-simulation, has been proposed to support task schedulers by simulating, at runtime, the Quality of Service (QoS) resulting from scheduling actions. However, existing co-simulation methods typically assume a static arrival time series. This assumption limits the diversity of traffic scenarios. To address this, we propose an online adaptive arrival forecasting framework that integrates a change-point detection module and a probabilistic transformer model to couple co-simulators with arrival series forecasting. This framework also updates the prediction model in response to detected changes. Additionally, we introduce the Co-simulated Adaptive Recurrent Surrogate Scheduler (CARSS), which uses simulated QoS metrics from the co-simulator to make scheduling decisions that enhance system performance. Experiments show that our online adaptive forecasting framework has lower forecasting errors than traditional models and reduces co-simulator prediction error by 11% in average response time and 22% in average service-level agreement (SLA) violation on real-world traces. Furthermore, CARSS improves QoS metrics, achieving 2.5% reduction in average energy consumption and reductions of 8.2% and 82.7% in average response time and average SLA violation, respectively, compared to the best baseline scheduler.

The advent of Large Language Models (LLMs) has changed the way we process information today and has unlocked new ways of delivering intelligence to the user. One of the ways of interfacing with AI is via smart assistants and chatbots that take multimodal inputs. However, the diversity of input tasks imply the possibility of both latency-critical and complex input instructions for AI assistants. Further, LLMs cannot be deployed on the edge for low-latency outputs, as that presents challenges due to their high computational demands and memory requirements. This work explores such trade-offs and contributes a smart LLM selection policy, called SELA, that leverages a suite of LLM models with disparate characteristics to optimize overall quality of service (QoS). SELA uses a time-criticality and complexity predictor at the edge to identify the optimal LLM choice for a given input instruction. Experiments on public instruction benchmarks demonstrate that SELA provides 9% to 62% higher QoS scores compared to the state-of-the-art selection policies.

Typical mobile edge computing infrastructures have to contend with unreliable computing devices at their end-points. The limited resource capacities of mobile edge devices gives rise to frequent contentions, node overloads or failures. This is exacerbated by the strict deadlines of modern applications. To avoid failures, fault-tolerant approaches utilize preemptive migration to transfer active tasks across nodes and prevent nodes running at capacity. However, prior work struggles to dynamically adapt in settings with highly volatile workloads or even accurately detect and diagnose anomalies for optimal remediation. To meet the strict service level objectives of contemporary workloads, there is a need for dynamic fault-tolerant methods that can quickly adapt to changes in edge environments while having parsimonious remediation in the form of preemptive migration to avoid stressing the system network. This work proposes PreGAN, featuring a Generative Adversarial Network (GAN) based approach to predict contentions, pinpoint specific resource types with high chance of overload, and generate migration decisions to proactively avoid system downtime. PreGAN leverages coupled-simulations to train the GAN model at run-time and a few-shot fault classifier to update decisions of an underpinning scheduler. We also extend it to PreGAN+ that also periodically tunes the decision model using semi-supervised training and a Transformer based neural network for low tuning time, albeit with higher memory overheads. Experiments on a Raspberry-Pi based edge environment demonstrate that both models outperform state-of-the-art baselines in fault detection and diagnosis scores by up to 12.5% and 31.2% respectively. This also translates in improvements in Quality of Service against baseline approaches.

Manipulating unseen objects is challenging without a 3D representation, as objects generally have occluded surfaces. This requires physical interaction with objects to build their internal representations. This paper presents an approach that enables a robot to rapidly learn the complete 3D model of a given object for manipulation in unfamiliar orientations. We use an ensemble of partially constructed NeRF models to quantify model uncertainty to determine the next action (a visual or re-orientation action) by optimizing informativeness and feasibility. Further, our approach determines when and how to grasp and re-orient an object given its partial NeRF model and re-estimates the object pose to rectify misalignments introduced during the interaction. Experiments with a simulated Franka Emika Robot Manipulator operating in a tabletop environment with benchmark objects demonstrate an improvement of (i) 14% in visual reconstruction quality (PSNR), (ii) 20% in the geometric/depth reconstruction of the object surface (F-score) and (iii) 71% in the task success rate of manipulating objects a-priori unseen orientations/stable configurations in the scene; over current methods. The project page can be found at https://actnerf.github.io/

Given the task of positioning a ball-like object to a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. However, enabling robots to reason similarly is non-trivial. Existing methods for physical reasoning are data-hungry and struggle with complexity and uncertainty inherent in the real world. This paper presents PhyPlan, a novel physics-informed planning framework that combines physics-informed neural networks (PINNs) with modified Monte Carlo Tree Search (MCTS) to enable embodied agents to perform dynamic physical tasks. PhyPlan leverages PINNs to simulate and predict outcomes of actions in a fast and accurate manner and uses MCTS for planning. It dynamically determines whether to consult a PINN-based simulator (coarse but fast) or engage directly with the actual environment (fine but slow) to determine optimal policy. Given an unseen task, PhyPlan can infer the sequence of actions and learn the latent parameters, resulting in a generalizable approach that can rapidly learn to perform novel physical tasks. Evaluation with robots in simulated 3D environments demonstrates the ability of our approach to solve 3D-physical reasoning tasks involving the composition of dynamic skills. Quantitatively, PhyPlan excels in several aspects: (i) it achieves lower regret when learning novel tasks compared to the state-of-the-art, (ii) it expedites skill learning and enhances the speed of physical reasoning, (iii) it demonstrates higher data efficiency compared to a physics un-informed approach.

3D generative models have shown significant promise in structure-based drug design (SBDD), particularly in discovering ligands tailored to specific target binding sites. Existing algorithms often focus primarily on ligand-target binding, characterized by binding affinity. Moreover, models trained solely on target-ligand distribution may fall short in addressing the broader objectives of drug discovery, such as the development of novel ligands with desired properties like drug-likeness, and synthesizability, underscoring the multifaceted nature of the drug design process. To overcome these challenges, we decouple the problem into molecular generation and property prediction. The latter synergistically guides the diffusion sampling process, facilitating guided diffusion and resulting in the creation of meaningful molecules with the desired properties. We call this guided molecular generation process as TAGMol. Through experiments on benchmark datasets, TAGMol demonstrates superior performance compared to state-of-the-art baselines, achieving a 22 in average Vina Score and yielding favorable outcomes in essential auxiliary properties. This establishes TAGMol as a comprehensive framework for drug generation.

Given the task of positioning a ball-like object to a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. However, enabling robots to reason similarly is non-trivial. Existing methods for physical reasoning are data-hungry and struggle with complexity and uncertainty inherent in the real world. This paper presents PhyPlan, a novel physics-informed planning framework that combines physics-informed neural networks (PINNs) with modified Monte Carlo Tree Search (MCTS) to enable embodied agents to perform dynamic physical tasks. PhyPlan leverages PINNs to simulate and predict outcomes of actions in a fast and accurate manner and uses MCTS for planning. It dynamically determines whether to consult a PINN-based simulator (coarse but fast) or engage directly with the actual environment (fine but slow) to determine optimal policy. Evaluation with robots in simulated 3D environments demonstrates the ability of our approach to solve 3D-physical reasoning tasks involving the composition of dynamic skills. Quantitatively, PhyPlan excels in several aspects: (i) it achieves lower regret when learning novel tasks compared to state-of-the-art, (ii) it expedites skill learning and enhances the speed of physical reasoning, (iii) it demonstrates higher data efficiency compared to a physics un-informed approach.

As robots tackle complex object arrangement tasks, it becomes imperative for them to be able to generalize to complex worlds and scale with number of objects. This work postulates that extracting action primitives, such as push operations, their pre-conditions and effects would enable strong generalization to unseen worlds. Hence, we factorize policy learning as inference of such generic rules, which act as strong priors for predicting actions given the world state. Learnt rules act as propositional knowledge and enable robots to reach goals in a zero-shot method by applying the rules independently and incrementally. However, obtaining hand-engineered rules, such as PDDL descriptions is hard, especially for unseen worlds. This work aims to learn generic, sparse, and context-aware rules that govern action primitives in robotic worlds through human demonstrations in simple domains. We demonstrate that our approach, namely RLAP, is able to extract rules without explicit supervision of rule labels and generate goal-reaching plans in complex Sokoban styled domains that scale with number of objects. RLAP furnishes significantly higher goal reaching rate and shorter planning times compared to the state-of-the-art techniques. The code, dataset, and videos are hosted at https://rule-learning-rlap.github.io/.

Our goal is to enable a robot to learn how to sequence its actions to perform high-level tasks specified as natural language instructions, given successful demonstrations from a human partner. Our novel neuro-symbolic solution GOALNET builds an iterative two-step approach that interleaves (i) inferring next subgoal predicate implied by the language instruction, for a given world state, and (ii) synthesizing a feasible subgoal-reaching plan from that state. The agent executes the plan, and the two steps are repeated. GOALNET combines (i) learning, where dense representations are acquired for language instruction and the world state via a neural network prediction model, enabling generalization to novel settings and (ii) planning, where the cause-effect modeling by a classical planner eschews irrelevant predicates, facilitating multi-stage decision making in large domains. GOALNET obtains 78% improvement in the goal reaching rate in comparison to several state-of-the-art approaches on benchmark data with multi-stage instructions. Further, GOALNET can generalize to novel instructions for scenes with unseen objects. Source code available at https://github. com/reail-iitd/goalnet.

The emergence of latency-critical AI applications has been supported by the evolution of the edge computing paradigm. However, edge solutions are typically resource-constrained, posing reliability challenges due to heightened contention for compute capacities and faulty application behavior in the presence of overload conditions. Although a large amount of generated log data can be mined for fault prediction, labeling this data for training is a manual process and thus a limiting factor for automation. Due to this, many companies resort to unsupervised fault-tolerance models. Yet, failure models of this kind can incur a loss of accuracy when they need to adapt to non-stationary workloads and diverse host characteristics. Thus, we propose a novel modeling approach, DeepFT, to proactively avoid system overloads and their adverse effects by optimizing the task scheduling decisions. DeepFT uses a deep-surrogate model to accurately predict and diagnose faults in the system and co-simulation based self-supervised learning to dynamically adapt the model in volatile settings. Experimentation on an edge cluster shows that DeepFT can outperform state-of-the-art methods in fault-detection and QoS metrics. Specifically, DeepFT gives the highest F1 scores for fault-detection, reducing service deadline violations by up to 37% while also improving response time by up to 9%.

Modern large-scale computing systems distribute jobs into multiple smaller tasks which execute in parallel to accelerate job completion rates and reduce energy consumption. However, a common performance problem in such systems is dealing with straggler tasks that are slow running instances that increase the overall response time. Such tasks can significantly impact the system's Quality of Service (QoS) and the Service Level Agreements (SLA). To combat this issue, there is a need for automatic straggler detection and mitigation mechanisms that execute jobs without violating the SLA. Prior work typically builds reactive models that focus first on detection and then mitigation of straggler tasks, which leads to delays. Other works use prediction based proactive mechanisms, but ignore heterogeneous host or volatile task characteristics. In this paper, we propose a Straggler Prediction and Mitigation Technique (START) that is able to predict which tasks might be stragglers and dynamically adapt scheduling to achieve lower response times. Our technique analyzes all tasks and hosts based on compute and network resource consumption using an Encoder Long-Short-Term-Memory (LSTM) network. The output of this network is then used to predict and mitigate expected straggler tasks. This reduces the SLA violation rate and execution time without compromising QoS. Specifically, we use the CloudSim toolkit to simulate START in a cloud environment and compare it with state-of-the-art techniques (IGRU-SD, SGC, Dolly, GRASS, NearestFit and Wrangler) in terms of QoS parameters such as energy consumption, execution time, resource contention, CPU utilization and SLA violation rate. Experiments show that START reduces execution time, resource contention, energy and SLA violations by 13%, 11%, 16% and 19%, respectively, compared to the state-of-the-art approaches.

The operational cost of a cloud computing platform is one of the most significant Quality of Service (QoS) criteria for schedulers, crucial to keep up with the growing computational demands. Several data-driven deep neural network (DNN)-based schedulers have been proposed in recent years that outperform alternative approaches by providing scalable and effective resource management for dynamic workloads. However, state-of-the-art schedulers rely on advanced DNNs with high computational requirements, implying high scheduling costs. In non-stationary contexts, the most sophisticated schedulers may not always be required, and it may be sufficient to rely on low-cost schedulers to temporarily save operational costs. In this work, we propose MetaNet, a surrogate model that predicts the operational costs and scheduling overheads of a large number of DNNbased schedulers and chooses one on-the-fly to jointly optimize job scheduling and execution costs. This facilitates improvements in execution costs, energy usage and service level agreement violations of up to 11%, 43% and 13% compared to the state-of-the-art methods.

This is the first work to report on inferential testing at scale in industry. Specifically, it reports the experience of automated testing of integrity systems at Meta. We built an internal tool called ALPACAS for automated inference of end-to-end integrity tests. Integrity tests are designed to keep users safe online by checking that interventions take place when harmful behaviour occurs on a platform. ALPACAS infers not only the test input, but also the oracle, by observing production interventions to prevent harmful behaviour. This approach allows Meta to automate the process of generating integrity tests for its platforms, such as Facebook and Instagram, which consist of hundreds of millions of lines of production code. We outline the design and deployment of ALPACAS, and report results for its coverage, number of tests produced at each stage of the test inference process, and their pass rates. Specifically, we demonstrate that using ALPACAS significantly improves coverage from a manual test design for the particular aspect of integrity end-to-end testing it was applied to. Further, from a pool of 3 million data points, ALPACAS automatically yields 39 production-ready end-to-end integrity tests. We also report that the ALPACAS-inferred test suite enjoys exceptionally low flakiness for end-to-end testing with its average in-production pass rate of 99.84%.

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. However, training such models and exploring their hyperparameter space is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, such works limit analysis to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model has 2.6× smaller size. FlexiBERT-Large, another proposed model, attains state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

Coupled simulation, also known as co-simulation, has been proposed to provide more information to a task scheduler by simulating at runtime the Quality of Service (QoS) arising from a scheduling action. To do so, co-simulation algorithms run the simulation assuming a static set of arrival time series, restricting the diversity of the traffic scenarios. To ensure the co-simulator can provide valuable and representative results, we present an online adaptive arrival forecasting framework that contains a change-point detection module and a probabilistic transformer model to couple co-simulators with arrival series forecasting. The framework can also update the prediction model to adapt to dynamic environments. Our experiments show that our online adaptive forecasting framework has lower forecasting errors than established prediction models, such as autoregressive processes, and lower on real-world traces the co-simulator prediction error by up to 27 % on average response time and 39% on average service-level agreement (SLA) violation.

The rise of distributed cloud computing technologies has been pivotal for the large-scale adoption of Artificial Intelligence (AI) based applications for high fidelity and scalable service delivery. Systematic resource management is central in maintaining optimal Quality of Service (QoS) in cloud platforms and is divided into three fundamental types: resource provisioning, AI model deployment and workload placement. To exploit the synergy among these decision types, it becomes imperative to concurrently design (co-design) the provisioning, deployment and placement decisions for optimal QoS. As users and cloud service providers shift to non-stationary AI-based workloads, frequent decision making imposes severe time constraints on the resource management models. Existing AI-based solutions often optimize decision types independently and tend to ignore the dependencies across various system performance aspects such as energy consumption and CPU utilization, making them perform poorly in large-scale cloud systems. To address this, we propose a novel method, called SciNet, that leverages a co-simulated digital-twin of the infrastructure to capture inter-metric dependencies and accurately estimate QoS scores. To avoid expensive simulation overheads at test time, SciNet trains a neural network based imitation learner that aims to mimic an oracle, which takes optimal decisions based on co-simulated QoS estimates. Offline model training and online decision making based on the imitation learner, enables SciNet to take optimal decisions while being time-efficient. Experiments with real-life AI-based benchmark applications on a public cloud testbed show that SciNet gives up to 48% lower execution cost, 79% higher inference accuracy, 71% lower energy consumption and 56% lower response times compared to the current state-of-the-art methods.

In recent years, the landscape of computing paradigms has witnessed a gradual yet remarkable shift from monolithic computing to distributed and decentralized paradigms such as Internet of Things (IoT), Edge, Fog, Cloud, and Serverless. The frontiers of these computing technologies have been boosted by shift from manually encoded algorithms to Artificial Intelligence (AI)-driven autonomous systems for optimum and reliable management of distributed computing resources. Prior work focuses on improving existing systems using AI across a wide range of domains, such as efficient resource provisioning, application deployment, task placement, and service management. This survey reviews the evolution of data-driven AI-augmented technologies and their impact on computing systems. We demystify new techniques and draw key insights in Edge, Fog and Cloud resource management-related uses of AI methods and also look at how AI can innovate traditional applications for enhanced Quality of Service (QoS) in the presence of a continuum of resources. We present the latest trends and impact areas such as optimizing AI models that are deployed on or for computing systems. We layout a roadmap for future research directions in areas such as resource management for QoS optimization and service reliability. Finally, we discuss blue-sky ideas and envision this work as an anchor point for future research on AI-driven computing systems.

Intelligent Virtual Machine (VM) provisioning is central to cost and resource efficient computation in cloud computing environments. As bootstrapping VMs is time-consuming, a key challenge for latency-critical tasks is to predict future workload demands to provision VMs proactively. However, existing AI-based solutions tend to not holistically consider all crucial aspects such as provisioning overheads, heterogeneous VM costs and Quality of Service (QoS) of the cloud system. To address this, we propose a novel method, called CILP, that formulates the VM provisioning problem as two sub-problems of prediction and optimization, where the provisioning plan is optimized based on predicted workload demands. CILP leverages a neural network as a surrogate model to predict future workload demands with a co-simulated digital-twin of the infrastructure to compute QoS scores. We extend the neural network to also act as an imitation learner that dynamically decides the optimal VM provisioning plan. A transformer based neural model reduces training and inference overheads while our novel two-phase decision making loop facilitates in making informed provisioning decisions. Crucially, we address limitations of prior work by including resource utilization, deployment costs and provisioning overheads to inform the provisioning decisions in our imitation learning framework. Experiments with three public benchmarks demonstrate that CILP gives up to 22% higher resource utilization, 14% higher QoS scores and 44% lower execution costs compared to the current online and offline optimization based state-of-the-art methods.

Edge Federation is a new computing paradigm that seamlessly interconnects the resources of multiple edge service providers. A key challenge in such systems is the deployment of latency-critical and AI based resource-intensive applications in constrained devices. To address this challenge, we propose a novel memory-efficient deep learning based model, namely generative optimization networks (GON). Unlike GANs, GONs use a single network to both discriminate input and generate samples, significantly reducing their memory footprint. Leveraging the low memory footprint of GONs, we propose a decentralized fault-tolerance method called DRAGON that runs simulations (as per a digital modeling twin) to quickly predict and optimize the performance of the edge federation. Extensive experiments with real-world edge computing benchmarks on multiple Raspberry-Pi based federated edge configurations show that DRAGON can outperform the baseline methods in fault-detection and Quality of Service (QoS) metrics. Specifically, the proposed method gives higher F1 scores for fault-detection than the best deep learning (DL) method, while consuming lower memory than the heuristic methods. This allows for improvement in energy consumption, response time and service level agreement violations by up to 74, 63 and 82 percent, respectively.