arXiv subjects

Robert Ross

Publications and source records attributed to Robert Ross.

At least 19 recordsLinked to original sources

arXiv2026

When More Cores Hurts: The Vector Database Scaling Paradox in HPC

Vector databases have been designed and optimized for cloud environments; however, emerging scientific AI workloads (e.g., molecular search, meteorological trajectory detection, and literature-driven hypothesis generation) demand efficient, scalable execution on HPC systems. We present a large-scale evaluation of three state-of-the-art vector databases -- Qdrant, Milvus, and Weaviate -- on two production supercomputers, scaling to 256 distributed workers across 64 compute nodes. We evaluate representative workload patterns -- mixed read/write and write-then-read -- using popular benchmarks, multimodal embeddings, and a novel real-world scientific dataset. Our results reveal that workload characteristics can limit latency reduction, additional cores can reduce query throughput by up to 30.67%, and scaling from 16 to 256 workers (16x) only yields a 5.46x improvement. This scaling paradox exposes the fundamental mismatch between cloud-oriented designs and HPC systems, highlighting the need for new, HPC-aware vector database designs.

cs.DC↗

arXiv2026

STELLAR: Storage Tuning Engine Leveraging LLM Autonomous Reasoning for High Performance Parallel File Systems

I/O performance is crucial to efficiency in data-intensive scientific computing; but tuning large-scale storage systems is complex, costly, and notoriously manpower-intensive, making it inaccessible for most domain scientists. To address this problem, we propose STELLAR, an autonomous tuner for high-performance parallel file systems. Our evaluations show that STELLAR almost always selects near-optimal parameter configurations for parallel file systems within the first five attempts, even for previously unseen applications. STELLAR differs fundamentally from traditional autotuning methods, which often require hundreds of thousands of iterations to converge. Powered by large language models (LLMs), STELLAR enables autonomous end-to-end agentic tuning by (1) accurately extracting tunable parameters from software manuals, (2) analyzing I/O trace logs generated by applications, (3) selecting initial tuning strategies, (4) rerunning applications on real systems and collecting I/O performance feedback, (5) adjusting tuning strategies and repeating the tuning cycle, and (6) reflecting on and summarizing tuning experiences into reusable knowledge for future optimizations. STELLAR integrates retrieval-augmented generation (RAG), tool execution, LLM-based reasoning, and a multiagent design to stabilize reasoning and combat hallucinations. We evaluate the impact of each component on optimization outcomes, providing design insights for similar systems in other optimization domains. STELLAR's architecture and empirical results highlight a promising approach to complex system optimization, especially for problems with large search spaces and high exploration costs, while making I/O tuning more accessible to domain scientists with minimal added resources.

cs.DC↗

arXiv2025

Exploring Distributed Vector Databases Performance on HPC Platforms: A Study with Qdrant

Vector databases have rapidly grown in popularity, enabling efficient similarity search over data such as text, images, and video. They now play a central role in modern AI workflows, aiding large language models by grounding model outputs in external literature through retrieval-augmented generation. Despite their importance, little is known about the performance characteristics of vector databases in high-performance computing (HPC) systems that drive large-scale science. This work presents an empirical study of distributed vector database performance on the Polaris supercomputer in the Argonne Leadership Computing Facility. We construct a realistic biological-text workload from BV-BRC and generate embeddings from the peS2o corpus using Qwen3-Embedding-4B. We select Qdrant to evaluate insertion, index construction, and query latency with up to 32 workers. Informed by practical lessons from our experience, this work takes a first step toward characterizing vector database performance on HPC platforms to guide future research and optimization.

cs.DC↗

arXiv2025

PROV-AGENT: Unified Provenance for Tracking AI Agent Interactions in Agentic Workflows

Large Language Models (LLMs) and other foundation models are increasingly used as the core of AI agents. In agentic workflows, these agents plan tasks, interact with humans and peers, and influence scientific outcomes across federated and heterogeneous environments. However, agents can hallucinate or reason incorrectly, propagating errors when one agent's output becomes another's input. Thus, assuring that agents' actions are transparent, traceable, reproducible, and reliable is critical to assess hallucination risks and mitigate their workflow impacts. While provenance techniques have long supported these principles, existing methods fail to capture and relate agent-centric metadata such as prompts, responses, and decisions with the broader workflow context and downstream outcomes. In this paper, we introduce PROV-AGENT, a provenance model that extends W3C PROV and leverages the Model Context Protocol (MCP) and data observability to integrate agent interactions into end-to-end workflow provenance. Our contributions include: (1) a provenance model tailored for agentic workflows, (2) a near real-time, open-source system for capturing agentic provenance, and (3) a cross-facility evaluation spanning edge, cloud, and HPC environments, demonstrating support for critical provenance queries and agent reliability analysis.

cs.DC↗

arXiv2025

PGT-I: Scaling Spatiotemporal GNNs with Memory-Efficient Distributed Training

Spatiotemporal graph neural networks (ST-GNNs) are powerful tools for modeling spatial and temporal data dependencies. However, their applications have been limited primarily to small-scale datasets because of memory constraints. While distributed training offers a solution, current frameworks lack support for spatiotemporal models and overlook the properties of spatiotemporal data. Informed by a scaling study on a large-scale workload, we present PyTorch Geometric Temporal Index (PGT-I), an extension to PyTorch Geometric Temporal that integrates distributed data parallel training and two novel strategies: index-batching and distributed-index-batching. Our index techniques exploit spatiotemporal structure to construct snapshots dynamically at runtime, significantly reducing memory overhead, while distributed-index-batching extends this approach by enabling scalable processing across multiple GPUs. Our techniques enable the first-ever training of an ST-GNN on the entire PeMS dataset without graph partitioning, reducing peak memory usage by up to 89% and achieving up to a 11.78x speedup over standard DDP with 128 GPUs.

cs.DC↗

arXiv2025

Parallel Data Object Creation: Towards Scalable Metadata Management in High-Performance I/O Library

High-level I/O libraries, such as HDF5 and PnetCDF, are commonly used by large-scale scientific applications to perform I/O tasks in parallel. These I/O libraries store the metadata such as data types and dimensionality along with the raw data in the same files. While these libraries are well-optimized for concurrent access to the raw data, they are designed neither to handle a large number of data objects efficiently nor to create different data objects independently by multiple processes, as they require applications to call data object creation APIs collectively with consistent metadata among all processes. Applications that process data gathered from remote sensors, such as particle collision experiments in high-energy physics, may generate data of different sizes from different sensors and desire to store them as separate data objects. For such applications, the I/O library's requirement on collective data object creation can become very expensive, as the cost of metadata consistency check increases with the metadata volume as well as the number of processes. To address this limitation, using PnetCDF as an experimental platform, we investigate solutions in this paper that abide the netCDF file format, as well as propose a new file header format that enables independent data object creation. The proposed file header consists of two sections, an index table and a list of metadata blocks. The index table contains the reference to the metadata blocks and each block stores metadata of objects that can be created collectively or independently. The new design achieves a scalable performance, cutting data object creation times by up to 582x when running on 4096 MPI processes to create 5,684,800 data objects in parallel. Additionally, the new method reduces the memory footprints, with each process requiring an amount of memory space inversely proportional to the number of processes.

cs.DC↗

arXiv2024

Thallus: An RDMA-based Columnar Data Transport Protocol

The volume of data generated and stored in contemporary global data centers is experiencing exponential growth. This rapid data growth necessitates efficient processing and analysis to extract valuable business insights. In distributed data processing systems, data undergoes exchanges between the compute servers that contribute significantly to the total data processing duration in adequately large clusters, necessitating efficient data transport protocols. Traditionally, data transport frameworks such as JDBC and ODBC have used TCP/IP-over-Ethernet as their underlying network protocol. Such frameworks require serializing the data into a single contiguous buffer before handing it off to the network card, primarily due to the requirement of contiguous data in TCP/IP. In OLAP use cases, this serialization process is costly for columnar data batches as it involves numerous memory copies that hurt data transport duration and overall data processing performance. We study the serialization overhead in the context of a widely-used columnar data format, Apache Arrow, and propose leveraging RDMA to transport Arrow data over Infiniband in a zero-copy manner. We design and implement Thallus, an RDMA-based columnar data transport protocol for Apache Arrow based on the Thallium framework from the Mochi ecosystem, compare it with a purely Thallium RPC-based implementation, and show substantial performance improvements can be achieved by using RDMA for columnar data transport.

cs.DC↗

arXiv2022

Dialogue Policies for Confusion Mitigation in Situated HRI

Confusion is a mental state triggered by cognitive disequilibrium that can occur in many types of task-oriented interaction, including Human-Robot Interaction (HRI). People may become confused while interacting with robots due to communicative or even task-centred challenges. To build a smooth and engaging HRI, it is insufficient for an agent to simply detect confusion; instead, the system should aim to mitigate the situation. In light of this, in this paper, we present our approach to a linguistic design of dialogue policies to build a dialogue framework to alleviate interlocutor confusion. We also outline our sketch and discuss challenges with respect to its operationalisation.

cs.CL↗

arXiv2022

Detecting Interlocutor Confusion in Situated Human-Avatar Dialogue: A Pilot Study

In order to enhance levels of engagement with conversational systems, our long term research goal seeks to monitor the confusion state of a user and adapt dialogue policies in response to such user confusion states. To this end, in this paper, we present our initial research centred on a user-avatar dialogue scenario that we have developed to study the manifestation of confusion and in the long term its mitigation. We present a new definition of confusion that is particularly tailored to the requirements of intelligent conversational system development for task-oriented dialogue. We also present the details of our Wizard-of-Oz based data collection scenario wherein users interacted with a conversational avatar and were presented with stimuli that were in some cases designed to invoke a confused state in the user. Post study analysis of this data is also presented. Here, three pre-trained deep learning models were deployed to estimate base emotion, head pose and eye gaze. Despite a small pilot study group, our analysis demonstrates a significant relationship between these indicators and confusion states. We understand this as a useful step forward in the automated analysis of the pragmatics of dialogue.

cs.HC↗

arXiv2022

Transferring Studies Across Embodiments: A Case Study in Confusion Detection

Human-robot studies are expensive to conduct and difficult to control, and as such researchers sometimes turn to human-avatar interaction in the hope of faster and cheaper data collection that can be transferred to the robot domain. In terms of our work, we are particularly interested in the challenge of detecting and modelling user confusion in interaction, and as part of this research programme, we conducted situated dialogue studies to investigate users' reactions in confusing scenarios that we give in both physical and virtual environments. In this paper, we present a combined review of these studies and the results that we observed across these two embodiments. For the physical embodiment, we used a Pepper Robot, while for the virtual modality, we used a 3D avatar. Our study shows that despite attitudinal differences and technical control limitations, there were a number of similarities detected in user behaviour and self-reporting results across embodiment options. This work suggests that, while avatar interaction is no true substitute for robot interaction studies, sufficient care in study design may allow well executed human-avatar studies to supplement more challenging human-robot studies.

cs.HC↗

arXiv2022

Self-Supervised Learning for Invariant Representations from Multi-Spectral and SAR Images

Self-Supervised learning (SSL) has become the new state-of-art in several domain classification and segmentation tasks. Of these, one popular category in SSL is distillation networks such as BYOL. This work proposes RSDnet, which applies the distillation network (BYOL) in the remote sensing (RS) domain where data is non-trivially different from natural RGB images. Since Multi-spectral (MS) and synthetic aperture radar (SAR) sensors provide varied spectral and spatial resolution information, we utilised them as an implicit augmentation to learn invariant feature embeddings. In order to learn RS based invariant features with SSL, we trained RSDnet in two ways, i.e., single channel feature learning and three channel feature learning. This work explores the usefulness of single channel feature learning from random MS and SAR bands compared to the common notion of using three or more bands. In our linear evaluation, these single channel features reached a 0.92 F1 score on the EuroSAT classification task and 59.6 mIoU on the DFC segmentation task for certain single bands. We also compared our results with ImageNet weights and showed that the RS based SSL model outperforms the supervised ImageNet based model. We further explored the usefulness of multi-modal data compared to single modality data, and it is shown that utilising MS and SAR data learn better invariant representations than utilising only MS data.

cs.CV↗

arXiv2022

A Case Study on Parallel HDF5 Dataset Concatenation for High Energy Physics Data Analysis

In High Energy Physics (HEP), experimentalists generate large volumes of data that, when analyzed, helps us better understand the fundamental particles and their interactions. This data is often captured in many files of small size, creating a data management challenge for scientists. In order to better facilitate data management, transfer, and analysis on large scale platforms, it is advantageous to aggregate data further into a smaller number of larger files. However, this translation process can consume significant time and resources, and if performed incorrectly the resulting aggregated files can be inefficient for highly parallel access during analysis on large scale platforms. In this paper, we present our case study on parallel I/O strategies and HDF5 features for reducing data aggregation time, making effective use of compression, and ensuring efficient access to the resulting data during analysis at scale. We focus on NOvA detector data in this case study, a large-scale HEP experiment generating many terabytes of data. The lessons learned from our case study inform the handling of similar datasets, thus expanding community knowledge related to this common data management task.

cs.DC↗

arXiv2021

Data-Driven Reinforcement Learning for Virtual Character Animation Control

Virtual character animation control is a problem for which Reinforcement Learning (RL) is a viable approach. While current work have applied RL effectively to portray physics-based skills, social behaviours are challenging to design reward functions for, due to their lack of physical interaction with the world. On the other hand, data-driven implementations for these skills have been limited to supervised learning methods which require extensive training data and carry constraints on generalisability. In this paper, we propose RLAnimate, a novel data-driven deep RL approach to address this challenge, where we combine the strengths of RL together with an ability to learn from a motion dataset when creating agents. We formalise a mathematical structure for training agents by refining the conceptual roles of elements such as agents, environments, states and actions, in a way that leverages attributes of the character animation domain and model-based RL. An agent trained using our approach learns versatile animation dynamics to portray multiple behaviours, using an iterative RL training process, which becomes aware of valid behaviours via representations learnt from motion capture clips. We demonstrate, by training agents that portray realistic pointing and waving behaviours, that our approach requires a significantly lower training time, and substantially fewer sample episodes to be generated during training relative to state-of-the-art physics-based RL methods. Also, compared to existing supervised learning-based animation agents, RLAnimate needs a limited dataset of motion clips to generate representations of valid behaviours during training.

cs.LG↗

arXiv2019

Improving MPI Collective I/O Performance With Intra-node Request Aggregation

Two-phase I/O is a well-known strategy for implementing collective MPI-IO functions. It redistributes I/O requests among the calling processes into a form that minimizes the file access costs. As modern parallel computers continue to grow into the exascale era, the communication cost of such request redistribution can quickly overwhelm collective I/O performance. This effect has been observed from parallel jobs that run on multiple compute nodes with a high count of MPI processes on each node. To reduce the communication cost, we present a new design for collective I/O by adding an extra communication layer that performs request aggregation among processes within the same compute nodes. This approach can significantly reduce inter-node communication congestion when redistributing the I/O requests. We evaluate the performance and compare with the original two-phase I/O on a Cray XC40 parallel computer with Intel KNL processors. Using I/O patterns from two large-scale production applications and an I/O benchmark, we show the performance improvement of up to 29 times when running 16384 MPI processes on 256 compute nodes.

cs.DC↗

arXiv2019

Modeling random walkers on growing random networks

We present continuum models that describe the evolution of the position of a random walker on a growing network using four different growth algorithms. Three of these involve a random element, including one in which the motility rate of the random walker controls the network topology. For motility rates in which the position of the walker can be treated as quasi-stationary, we present accurate approximations to replace pair probabilities that allow us to numerically solve an otherwise intractable system of equations.

nlin.AO↗

arXiv2019

A power series method for solving ordinary and partial differentials equations motivated by domain growth

In this work we present a power series method for solving ordinary and partial differential equations. To demonstrate our method we solve a system of ordinary differential equations describing the movement of a random walker on a one-dimensional lattice, two nonlinear ordinary differential equations, a wave and diffusion equation (linear partial differential equations), and a nonlinear partial differential equation (quasilinear). The inclusion of boundary conditions and the general solutions to other equations of interest are included in the Supplementary material.

math.NA↗

arXiv2018

Beef Cattle Instance Segmentation Using Fully Convolutional Neural Network

We present an instance segmentation algorithm trained and applied to a CCTV recording of beef cattle during a winter finishing period. A fully convolutional network was transformed into an instance segmentation network that learns to label each instance of an animal separately. We introduce a conceptually simple framework that the network uses to output a single prediction for every animal. These results are a contribution towards behaviour analysis in winter finishing beef cattle for early detection of animal welfare-related problems.

cs.CV↗

arXiv2018

A Software-Defined Approach for QoS Control in High-Performance Computing Storage Systems

High-performance computing (HPC) storage systems become increasingly critical to scientific applications given the data-driven discovery paradigm shift. As a storage solution for large-scale HPC systems, dozens of applications share the same storage system, and will compete and can interfere with each other. Application interference can dramatically degrade the overall storage system performance. Therefore, developing a flexible and effective storage solution to assure a certain level of resources per application, i.e. the Quality-of-Service (QoS) support, is critical. One of the common solution to achieve QoS assurance for storage systems is using provisioning technique~\cite{3}. Provisioning refers to the ability of providing certain amount of resources for applications and expected workloads. However, provisioning has limitations such as requiring the detailed knowledge of the expected workloads. In addition, the storage workloads are transient hence expensive to be satisfied. Due to these limitations, providing QoS storage systems through provisioning is challenging. In this research, a software-defined approach~\cite{0} is proposed as a flexible solution to achieve QoS guarantee for storage systems. The driving force of using a software-defined approach instead of the traditional approaches, is that it has the ability to enable a more flexible, scalable, and efficient platform. For example, if any changes occurred in the system, it does not necessarily need to re-configure thousands of devices; instead, with re-configuring a logically centralized component, other devices will be automatically notified.

cs.DC↗