ContextWeaver: Selective and Dependency-Structured Memory Construction for LLM Agents

Large language model (LLM) agents often struggle in long-context interactions. As the agent accumulates more interaction history, context management approaches such as sliding window and prompt compression may omit earlier structured information that later steps rely on. Recent retrieval-based memory systems surface relevant content but still overlook the causal and logical structure needed for multi-step reasoning. We introduce ContextWeaver, a selective and dependency-structured memory framework that organizes an agent's interaction trace into a graph of reasoning steps and selects the relevant context for future actions. Unlike prior context management approaches, ContextWeaver supports: (1) dependency-based construction and traversal that link each step to the earlier steps it relies on; (2) compact dependency summarization that condenses root-to-step reasoning paths into reusable units; and (3) a lightweight validation layer that incorporates execution feedback. On the SWE-Bench Verified and Lite benchmarks, ContextWeaver improves performance over a sliding-window baseline in pass@1, while reducing reasoning steps and token usage. Our observations suggest that modeling logical dependencies provides a stable and scalable memory mechanism for LLM agents that use tools.

NOMAD: Generating Embeddings for Massive Distributed Graphs

Successful machine learning on graphs or networks requires embeddings that not only represent nodes and edges as low-dimensional vectors but also preserve the graph structure. Established methods for generating embeddings require flexible exploration of the entire graph through repeated use of random walks that capture graph structure with samples of nodes and edges. These methods create scalability challenges for massive graphs with millions-to-billions of edges because single-node solutions have inadequate memory and processing capabilities. We present NOMAD, a distributed-memory graph embedding framework using the Message Passing Interface (MPI) for distributed graphs. NOMAD implements proximity-based models proposed in the widely popular LINE (Large-scale Information Network Embedding) algorithm. We propose several practical trade-offs to improve the scalability and communication overheads confronted by irregular and distributed graph embedding methods, catering to massive-scale graphs arising in web and science domains. NOMAD demonstrates median speedups of 10/100x on CPU-based NERSC Perlmutter cluster relative to the popular reference implementations of multi-threaded LINE and node2vec, 35-76x over distributed PBG, and competitive embedding quality relative to LINE, node2vec, and GraphVite, while yielding 12-370x end-to-end speedups on real-world graphs.

Communication-free Sampling and 4D Hybrid Parallelism for Scalable Mini-batch GNN Training

Graph neural networks (GNNs) are widely used for learning on graph datasets derived from various real-world scenarios. Learning from extremely large graphs requires distributed training, and mini-batching with sampling is a popular approach for parallelizing GNN training. Existing distributed mini-batch approaches have significant performance bottlenecks due to expensive sampling methods and limited scaling when using data parallelism. In this work, we present ScaleGNN, a 4D parallel framework for scalable mini-batch GNN training that combines communication-free distributed sampling, 3D parallel matrix multiplication (PMM), and data parallelism. ScaleGNN introduces a uniform vertex sampling algorithm, enabling each process (GPU device) to construct its local mini-batch, i.e., subgraph partitions without any inter-process communication. 3D PMM enables scaling mini-batch training to much larger GPU counts than vanilla data parallelism with significantly lower communication overheads. We also present additional optimizations to overlap sampling with training, reduce communication overhead by sending data in lower precision, kernel fusion, and communication-computation overlap. We evaluate ScaleGNN on five graph datasets and demonstrate strong scaling up to 2048 GPUs on Perlmutter, 2048 GCDs on Frontier, and 1024 GPUs on Tuolumne. On Perlmutter, ScaleGNN achieves 3.5x end-to-end training speedup over the SOTA baseline on ogbn-products.

BladeSDF : Unconditional and Conditional Generative Modeling of Representative Blade Geometries Using Signed Distance Functions

Generative AI has emerged as a transformative paradigm in engineering design, enabling automated synthesis and reconstruction of complex 3D geometries while preserving feasibility and performance relevance. This paper introduces a domain-specific implicit generative framework for turbine blade geometry using DeepSDF, addressing critical gaps in performance-aware modeling and manufacturable design generation. The proposed method leverages a continuous signed distance function (SDF) representation to reconstruct and generate smooth, watertight geometries with quantified accuracy. It establishes an interpretable, near-Gaussian latent space that aligns with blade-relevant parameters, such as taper and chord ratios, enabling controlled exploration and unconditional synthesis through interpolation and Gaussian sampling. In addition, a compact neural network maps engineering descriptors, such as maximum directional strains, to latent codes, facilitating the generation of performance-informed geometry. The framework achieves high reconstruction fidelity, with surface distance errors concentrated within $1\%$ of the maximum blade dimension, and demonstrates robust generalization to unseen designs. By integrating constraints, objectives, and performance metrics, this approach advances beyond traditional 2D-guided or unconstrained 3D pipelines, offering a practical and interpretable solution for data-driven turbine blade modeling and concept generation.

MassiveGNN: Efficient Training via Prefetching for Massively Connected Distributed Graphs

Graph Neural Networks (GNN) are indispensable in learning from graph-structured data, yet their rising computational costs, especially on massively connected graphs, pose significant challenges in terms of execution performance. To tackle this, distributed-memory solutions such as partitioning the graph to concurrently train multiple replicas of GNNs are in practice. However, approaches requiring a partitioned graph usually suffer from communication overhead and load imbalance, even under optimal partitioning and communication strategies due to irregularities in the neighborhood minibatch sampling. This paper proposes practical trade-offs for improving the sampling and communication overheads for representation learning on distributed graphs (using popular GraphSAGE architecture) by developing a parameterized continuous prefetch and eviction scheme on top of the state-of-the-art Amazon DistDGL distributed GNN framework, demonstrating about 15-40% improvement in end-to-end training performance on the National Energy Research Scientific Computing Center's (NERSC) Perlmutter supercomputer for various OGB datasets.

Final Report for CHESS: Cloud, High-Performance Computing, and Edge for Science and Security

Automating the theory-experiment cycle requires effective distributed workflows that utilize a computing continuum spanning lab instruments, edge sensors, computing resources at multiple facilities, data sets distributed across multiple information sources, and potentially cloud. Unfortunately, the obvious methods for constructing continuum platforms, orchestrating workflow tasks, and curating datasets over time fail to achieve scientific requirements for performance, energy, security, and reliability. Furthermore, achieving the best use of continuum resources depends upon the efficient composition and execution of workflow tasks, i.e., combinations of numerical solvers, data analytics, and machine learning. Pacific Northwest National Laboratory's LDRD "Cloud, High-Performance Computing (HPC), and Edge for Science and Security" (CHESS) has developed a set of interrelated capabilities for enabling distributed scientific workflows and curating datasets. This report describes the results and successes of CHESS from the perspective of open science.

Heterogenous Multi-Source Data Fusion Through Input Mapping and Latent Variable Gaussian Process

Artificial intelligence and machine learning frameworks have served as computationally efficient mapping between inputs and outputs for engineering problems. These mappings have enabled optimization and analysis routines that have warranted superior designs, ingenious material systems and optimized manufacturing processes. A common occurrence in such modeling endeavors is the existence of multiple source of data, each differentiated by fidelity, operating conditions, experimental conditions, and more. Data fusion frameworks have opened the possibility of combining such differentiated sources into single unified models, enabling improved accuracy and knowledge transfer. However, these frameworks encounter limitations when the different sources are heterogeneous in nature, i.e., not sharing the same input parameter space. These heterogeneous input scenarios can occur when the domains differentiated by complexity, scale, and fidelity require different parametrizations. Towards addressing this void, a heterogeneous multi-source data fusion framework is proposed based on input mapping calibration (IMC) and latent variable Gaussian process (LVGP). In the first stage, the IMC algorithm is utilized to transform the heterogeneous input parameter spaces into a unified reference parameter space. In the second stage, a multi-source data fusion model enabled by LVGP is leveraged to build a single source-aware surrogate model on the transformed reference space. The proposed framework is demonstrated and analyzed on three engineering case studies (design of cantilever beam, design of ellipsoidal void and modeling properties of Ti6Al4V alloy). The results indicate that the proposed framework provides improved predictive accuracy over a single source model and transformed but source unaware model.

Compare without Despair: Reliable Preference Evaluation with Generation Separability

Human evaluation of generated language through pairwise preference judgments is pervasive. However, under common scenarios, such as when generations from a model pair are very similar, or when stochastic decoding results in large variations in generations, it results in inconsistent preference ratings. We address these challenges by introducing a meta-evaluation measure, separability, which estimates how suitable a test instance is for pairwise preference evaluation. For a candidate test instance, separability samples multiple generations from a pair of models, and measures how distinguishable the two sets of generations are. Our experiments show that instances with high separability values yield more consistent preference ratings from both human- and auto-raters. Further, the distribution of separability allows insights into which test benchmarks are more valuable for comparing models. Finally, we incorporate separability into ELO ratings, accounting for how suitable each test instance might be for reliably ranking LLMs. Overall, separability has implications for consistent, efficient and robust preference evaluation of LLMs with both human- and auto-raters.

Instance Segmentation and Teeth Classification in Panoramic X-rays

Teeth segmentation and recognition are critical in various dental applications and dental diagnosis. Automatic and accurate segmentation approaches have been made possible by integrating deep learning models. Although teeth segmentation has been studied in the past, only some techniques were able to effectively classify and segment teeth simultaneously. This article offers a pipeline of two deep learning models, U-Net and YOLOv8, which results in BB-UNet, a new architecture for the classification and segmentation of teeth on panoramic X-rays that is efficient and reliable. We have improved the quality and reliability of teeth segmentation by utilising the YOLOv8 and U-Net capabilities. The proposed networks have been evaluated using the mean average precision (mAP) and dice coefficient for YOLOv8 and BB-UNet, respectively. We have achieved a 3\% increase in mAP score for teeth classification compared to existing methods, and a 10-15\% increase in dice coefficient for teeth segmentation compared to U-Net across different categories of teeth. A new Dental dataset was created based on UFBA-UESC dataset with Bounding-Box and Polygon annotations of 425 dental panoramic X-rays. The findings of this research pave the way for a wider adoption of object detection models in the field of dental diagnosis.

Deep Oscillatory Neural Network

We propose a novel, brain-inspired deep neural network model known as the Deep Oscillatory Neural Network (DONN). Deep neural networks like the Recurrent Neural Networks indeed possess sequence processing capabilities but the internal states of the network are not designed to exhibit brain-like oscillatory activity. With this motivation, the DONN is designed to have oscillatory internal dynamics. Neurons of the DONN are either nonlinear neural oscillators or traditional neurons with sigmoidal or ReLU activation. The neural oscillator used in the model is the Hopf oscillator, with the dynamics described in the complex domain. Input can be presented to the neural oscillator in three possible modes. The sigmoid and ReLU neurons also use complex-valued extensions. All the weight stages are also complex-valued. Training follows the general principle of weight change by minimizing the output error and therefore has an overall resemblance to complex backpropagation. A generalization of DONN to convolutional networks known as the Oscillatory Convolutional Neural Network is also proposed. The two proposed oscillatory networks are applied to a variety of benchmark problems in signal and image/video processing. The performance of the proposed models is either comparable or superior to published results on the same data sets.