arXiv subjects

Shreshth Tuli

Publications and source records attributed to Shreshth Tuli.

At least 19 recordsLinked to original sources

arXiv2024

TAGMol: Target-Aware Gradient-guided Molecule Generation

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% improvement in average Vina Score and yielding favorable outcomes in essential auxiliary properties. This establishes TAGMol as a comprehensive framework for drug generation.

q-bio.BM↗

arXiv2024

PhyPlan: Generalizable and Rapid Physical Task Planning with Physics Informed Skill Networks for Robot Manipulators

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.

cs.RO↗

arXiv2024

Uncertainty-aware Active Learning of NeRF-based Object Models for Robot Manipulators using Visual and Re-orientation Actions

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 here: https://actnerf.github.io.

cs.RO↗

arXiv2024

PhyPlan: Compositional and Adaptive Physical Task Reasoning with Physics-Informed Skill Networks for Robot Manipulators

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.

cs.RO↗

arXiv2023

CILP: Co-simulation based Imitation Learner for Dynamic Resource Provisioning in Cloud Computing Environments

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.

eess.SY↗

arXiv2023

Simulation-Driven Automated End-to-End Test and Oracle Inference

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%.

cs.SE↗

arXiv2022

DeepFT: Fault-Tolerant Edge Computing using a Self-Supervised Deep Surrogate Model

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 and communication 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. To cope with this, we propose a novel modeling approach, called DeepFT, to proactively avoid system overloads and their adverse effects by optimizing the task scheduling and migration 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. It offers a highly scalable solution as the model size scales by only 3 and 1 percent per unit increase in the number of active tasks and hosts. Extensive experimentation on a Raspberry-Pi based edge cluster with DeFog benchmarks shows that DeepFT can outperform state-of-the-art baseline 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%.

cs.DC↗

arXiv2022

DRAGON: Decentralized Fault Tolerance in Edge Federations

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.

cs.DC↗

arXiv2022

AI Augmented Edge and Fog Computing: Trends and Challenges

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.

cs.DC↗

arXiv2022

ToolTango: Common sense Generalization in Predicting Sequential Tool Interactions for Robot Plan Synthesis

Robots assisting us in environments such as factories or homes must learn to make use of objects as tools to perform tasks, for instance using a tray to carry objects. We consider the problem of learning commonsense knowledge of when a tool may be useful and how its use may be composed with other tools to accomplish a high-level task instructed by a human. Specifically, we introduce a novel neural model, termed TOOLTANGO, that first predicts the next tool to be used, and then uses this information to predict the next action. We show that this joint model can inform learning of a fine-grained policy enabling the robot to use a particular tool in sequence and adds a significant value in making the model more accurate. TOOLTANGO encodes the world state, comprising objects and symbolic relationships between them, using a graph neural network and is trained using demonstrations from human teachers instructing a virtual robot in a physics simulator. The model learns to attend over the scene using knowledge of the goal and the action history, finally decoding the symbolic action to execute. Crucially, we address generalization to unseen environments where some known tools are missing, but alternative unseen tools are present. We show that by augmenting the representation of the environment with pre-trained embeddings derived from a knowledge-base, the model can generalize effectively to novel environments. Experimental results show at least 48.8-58.1% absolute improvement over the baselines in predicting successful symbolic plans for a simulated mobile manipulator in novel environments with unseen objects. This work takes a step in the direction of enabling robots to rapidly synthesize robust plans for complex tasks, particularly in novel settings

cs.RO↗

arXiv2022

RadNet: Incident Prediction in Spatio-Temporal Road Graph Networks Using Traffic Forecasting

Efficient and accurate incident prediction in spatio-temporal systems is critical to minimize service downtime and optimize performance. This work aims to utilize historic data to predict and diagnose incidents using spatio-temporal forecasting. We consider the specific use case of road traffic systems where incidents take the form of anomalous events, such as accidents or broken-down vehicles. To tackle this, we develop a neural model, called RadNet, which forecasts system parameters such as average vehicle speeds for a future timestep. As such systems largely follow daily or weekly periodicity, we compare RadNet's predictions against historical averages to label incidents. Unlike prior work, RadNet infers spatial and temporal trends in both permutations, finally combining the dense representations before forecasting. This facilitates informed inference and more accurate incident detection. Experiments with two publicly available and a new road traffic dataset demonstrate that the proposed model gives up to 8% higher prediction F1 scores compared to the state-of-the-art methods.

cs.LG↗

arXiv2022

FlexiBERT: Are Current Transformer Architectures too Homogeneous and Rigid?

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. Training such models and exploring their hyperparameter space, however, 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, analysis has been limited 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 achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

cs.LG↗

arXiv2022

SplitPlace: AI Augmented Splitting and Placement of Large-Scale Neural Networks in Mobile Edge Environments

In recent years, deep learning models have become ubiquitous in industry and academia alike. Deep neural networks can solve some of the most complex pattern-recognition problems today, but come with the price of massive compute and memory requirements. This makes the problem of deploying such large-scale neural networks challenging in resource-constrained mobile edge computing platforms, specifically in mission-critical domains like surveillance and healthcare. To solve this, a promising solution is to split resource-hungry neural networks into lightweight disjoint smaller components for pipelined distributed processing. At present, there are two main approaches to do this: semantic and layer-wise splitting. The former partitions a neural network into parallel disjoint models that produce a part of the result, whereas the latter partitions into sequential models that produce intermediate results. However, there is no intelligent algorithm that decides which splitting strategy to use and places such modular splits to edge nodes for optimal performance. To combat this, this work proposes a novel AI-driven online policy, SplitPlace, that uses Multi-Armed-Bandits to intelligently decide between layer and semantic splitting strategies based on the input task's service deadline demands. SplitPlace places such neural network split fragments on mobile edge devices using decision-aware reinforcement learning for efficient and scalable computing. Moreover, SplitPlace fine-tunes its placement engine to adapt to volatile environments. Our experiments on physical mobile-edge environments with real-world workloads show that SplitPlace can significantly improve the state-of-the-art in terms of average response time, deadline violation rate, inference accuracy, and total reward by up to 46, 69, 3 and 12 percent respectively.

cs.DC↗

arXiv2022

Learning to Dynamically Select Cost Optimal Schedulers in Cloud Computing Environments

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 DNN-based 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.

cs.DC↗

arXiv2022

MetaNet: Automated Dynamic Selection of Scheduling Policies in Cloud Environments

Task scheduling is a well-studied problem in the context of optimizing the Quality of Service (QoS) of cloud computing environments. In order to sustain the rapid growth of computational demands, one of the most important QoS metrics for cloud schedulers is the execution cost. In this regard, several data-driven deep neural networks (DNNs) based schedulers have been proposed in recent years to allow scalable and efficient resource management in dynamic workload settings. However, optimal scheduling frequently relies on sophisticated DNNs with high computational needs implying higher execution costs. Further, even in non-stationary environments, sophisticated schedulers might not always be required and we could briefly rely on low-cost schedulers in the interest of cost-efficiency. Therefore, this work aims to solve the non-trivial meta problem of online dynamic selection of a scheduling policy using a surrogate model called MetaNet. Unlike traditional solutions with a fixed scheduling policy, MetaNet on-the-fly chooses a scheduler from a large set of DNN based methods to optimize task scheduling and execution costs in tandem. Compared to state-of-the-art DNN schedulers, this allows for improvement in execution costs, energy consumption, response time and service level agreement violations by up to 11, 43, 8 and 13 percent, respectively.

cs.DC↗

arXiv2022

GoalNet: Inferring Conjunctive Goal Predicates from Human Plan Demonstrations for Robot Instruction Following

Our goal is to enable a robot to learn how to sequence its actions to perform tasks specified as natural language instructions, given successful demonstrations from a human partner. The ability to plan high-level tasks can be factored as (i) inferring specific goal predicates that characterize the task implied by a language instruction for a given world state and (ii) synthesizing a feasible goal-reaching action-sequence with such predicates. For the former, we leverage a neural network prediction model, while utilizing a symbolic planner for the latter. We introduce a novel neuro-symbolic model, GoalNet, for contextual and task dependent inference of goal predicates from human demonstrations and linguistic task descriptions. GoalNet combines (i) learning, where dense representations are acquired for language instruction and the world state that enables generalization to novel settings and (ii) planning, where the cause-effect modeling by the symbolic planner eschews irrelevant predicates facilitating multi-stage decision making in large domains. GoalNet demonstrates a significant improvement (51%) in the task completion rate in comparison to a state-of-the-art rule-based approach on a benchmark data set displaying linguistic variations, particularly for multi-stage instructions.

cs.RO↗

arXiv2022

CAROL: Confidence-Aware Resilience Model for Edge Federations

In recent years, the deployment of large-scale Internet of Things (IoT) applications has given rise to edge federations that seamlessly interconnect and leverage resources from multiple edge service providers. The requirement of supporting both latency-sensitive and compute-intensive IoT tasks necessitates service resilience, especially for the broker nodes in typical broker-worker deployment designs. Existing fault-tolerance or resilience schemes often lack robustness and generalization capability in non-stationary workload settings. This is typically due to the expensive periodic fine-tuning of models required to adapt them in dynamic scenarios. To address this, we present a confidence aware resilience model, CAROL, that utilizes a memory-efficient generative neural network to predict the Quality of Service (QoS) for a future state and a confidence score for each prediction. Thus, whenever a broker fails, we quickly recover the system by executing a local-search over the broker-worker topology space and optimize future QoS. The confidence score enables us to keep track of the prediction performance and run parsimonious neural network fine-tuning to avoid excessive overheads, further improving the QoS of the system. Experiments on a Raspberry-Pi based edge testbed with IoT benchmark applications show that CAROL outperforms state-of-the-art resilience schemes by reducing the energy consumption, deadline violation rates and resilience overheads by up to 16, 17 and 36 percent, respectively.

cs.DC↗

arXiv2022

TranAD: Deep Transformer Networks for Anomaly Detection in Multivariate Time Series Data

Efficient anomaly detection and diagnosis in multivariate time-series data is of great importance for modern industrial applications. However, building a system that is able to quickly and accurately pinpoint anomalous observations is a challenging problem. This is due to the lack of anomaly labels, high data volatility and the demands of ultra-low inference times in modern applications. Despite the recent developments of deep learning approaches for anomaly detection, only a few of them can address all of these challenges. In this paper, we propose TranAD, a deep transformer network based anomaly detection and diagnosis model which uses attention-based sequence encoders to swiftly perform inference with the knowledge of the broader temporal trends in the data. TranAD uses focus score-based self-conditioning to enable robust multi-modal feature extraction and adversarial training to gain stability. Additionally, model-agnostic meta learning (MAML) allows us to train the model using limited data. Extensive empirical studies on six publicly available datasets demonstrate that TranAD can outperform state-of-the-art baseline methods in detection and diagnosis performance with data and time-efficient training. Specifically, TranAD increases F1 scores by up to 17%, reducing training times by up to 99% compared to the baselines.

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