Aditya Balu

Muhammad Arbab Arshad, Talukder Zaki Jubery, Tirtho Roy et al.

As Vision Language Models (VLMs) become increasingly accessible to farmers and agricultural experts, there is a growing need to evaluate their potential in specialized tasks. We present AgEval, a comprehensive benchmark for assessing VLMs' capabilities in plant stress phenotyping, offering a solution to the challenge of limited annotated data in agriculture. Our study explores how general-purpose VLMs can be leveraged for domain-specific tasks with only a few annotated examples, providing insights into their behavior and adaptability. AgEval encompasses 12 diverse plant stress phenotyping tasks, evaluating zero-shot and few-shot in-context learning performance of state-of-the-art models including Claude, GPT, Gemini, and LLaVA. Our results demonstrate VLMs' rapid adaptability to specialized tasks, with the best-performing model showing an increase in F1 scores from 46.24% to 73.37% in 8-shot identification. To quantify performance disparities across classes, we introduce metrics such as the coefficient of variation (CV), revealing that VLMs' training impacts classes differently, with CV ranging from 26.02% to 58.03%. We also find that strategic example selection enhances model reliability, with exact category examples improving F1 scores by 15.38% on average. AgEval establishes a framework for assessing VLMs in agricultural applications, offering valuable benchmarks for future evaluations. Our findings suggest that VLMs, with minimal few-shot examples, show promise as a viable alternative to traditional specialized models in plant stress phenotyping, while also highlighting areas for further refinement. Results and benchmark details are available at: https://github.com/arbab-ml/AgEval

Anushrut Jignasu, Kelly O. Marshall, Ankush Kumar Mishra et al.

G-code (Geometric code) or RS-274 is the most widely used computer numerical control (CNC) and 3D printing programming language. G-code provides machine instructions for the movement of the 3D printer, especially for the nozzle, stage, and extrusion of material for extrusion-based additive manufacturing. Currently, there does not exist a large repository of curated CAD models along with their corresponding G-code files for additive manufacturing. To address this issue, we present Slice-100K, a first-of-its-kind dataset of over 100,000 G-code files, along with their tessellated CAD model, LVIS (Large Vocabulary Instance Segmentation) categories, geometric properties, and renderings. We build our dataset from triangulated meshes derived from Objaverse-XL and Thingi10K datasets. We demonstrate the utility of this dataset by finetuning GPT-2 on a subset of the dataset for G-code translation from a legacy G-code format (Sailfish) to a more modern, widely used format (Marlin). Our dataset can be found at https://github.com/idealab-isu/Slice-100K. Slice-100K will be the first step in developing a multimodal foundation model for digital manufacturing.

Mahsa Khosravi, Matthew Carroll, Kai Liang Tan et al.

Agricultural production requires careful management of inputs such as fungicides, insecticides, and herbicides to ensure a successful crop that is high-yielding, profitable, and of superior seed quality. Current state-of-the-art field crop management relies on coarse-scale crop management strategies, where entire fields are sprayed with pest and disease-controlling chemicals, leading to increased cost and sub-optimal soil and crop management. To overcome these challenges and optimize crop production, we utilize machine learning tools within a virtual field environment to generate localized management plans for farmers to manage biotic threats while maximizing profits. Specifically, we present AgGym, a modular, crop and stress agnostic simulation framework to model the spread of biotic stresses in a field and estimate yield losses with and without chemical treatments. Our validation with real data shows that AgGym can be customized with limited data to simulate yield outcomes under various biotic stress conditions. We further demonstrate that deep reinforcement learning (RL) policies can be trained using AgGym for designing ultra-precise biotic stress mitigation strategies with potential to increase yield recovery with less chemicals and lower cost. Our proposed framework enables personalized decision support that can transform biotic stress management from being schedule based and reactive to opportunistic and prescriptive. We also release the AgGym software implementation as a community resource and invite experts to contribute to this open-sourced publicly available modular environment framework. The source code can be accessed at: https://github.com/SCSLabISU/AgGym.

Ethan Herron, Jaydeep Rade, Anushrut Jignasu et al.

Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural components. Specifically, we employ a Latent Diffusion model to generate potential designs of a component that can satisfy a set of problem-specific loading conditions. One of the distinct advantages our approach offers over other generative approaches, such as generative adversarial networks (GANs), is that it permits the editing of existing designs. We train our model using a dataset of geometries obtained from structural topology optimization utilizing the SIMP algorithm. Consequently, our framework generates inherently near-optimal designs. Our work presents quantitative results that support the structural performance of the generated designs and the variability in potential candidate designs. Furthermore, we provide evidence of the scalability of our framework by operating over voxel domains with resolutions varying from $32^3$ to $128^3$. Our framework can be used as a starting point for generating novel near-optimal designs similar to topology-optimized designs.

Ronak Tali, Ali Rabeh, Cheng-Hau Yang et al.

Simulating fluid flow around arbitrary shapes is key to solving various engineering problems. However, simulating flow physics across complex geometries remains numerically challenging and computationally resource-intensive, particularly when using conventional PDE solvers. Machine learning methods offer attractive opportunities to create fast and adaptable PDE solvers. However, benchmark datasets to measure the performance of such methods are scarce, especially for flow physics across complex geometries. We introduce FlowBench, a dataset for neural simulators with over 10K samples, which is currently larger than any publicly available flow physics dataset. FlowBench contains flow simulation data across complex geometries (\textit{parametric vs. non-parametric}), spanning a range of flow conditions (\textit{Reynolds number and Grashoff number}), capturing a diverse array of flow phenomena (\textit{steady vs. transient; forced vs. free convection}), and for both 2D and 3D. FlowBench contains over 10K data samples, with each sample the outcome of a fully resolved, direct numerical simulation using a well-validated simulator framework designed for modeling transport phenomena in complex geometries. For each sample, we include velocity, pressure, and temperature field data at 3 different resolutions and several summary statistics features of engineering relevance (such as coefficients of lift and drag, and Nusselt numbers). %Additionally, we include masks and signed distance fields for each shape. We envision that FlowBench will enable evaluating the interplay between complex geometry, coupled flow phenomena, and data sufficiency on the performance of current, and future, neural PDE solvers. We enumerate several evaluation metrics to help rank order the performance of neural PDE solvers. We benchmark the performance of several baseline methods including FNO, CNO, WNO, and DeepONet.

Anushrut Jignasu, Kelly Marshall, Baskar Ganapathysubramanian et al.

3D printing or additive manufacturing is a revolutionary technology that enables the creation of physical objects from digital models. However, the quality and accuracy of 3D printing depend on the correctness and efficiency of the G-code, a low-level numerical control programming language that instructs 3D printers how to move and extrude material. Debugging G-code is a challenging task that requires a syntactic and semantic understanding of the G-code format and the geometry of the part to be printed. In this paper, we present the first extensive evaluation of six state-of-the-art foundational large language models (LLMs) for comprehending and debugging G-code files for 3D printing. We design effective prompts to enable pre-trained LLMs to understand and manipulate G-code and test their performance on various aspects of G-code debugging and manipulation, including detection and correction of common errors and the ability to perform geometric transformations. We analyze their strengths and weaknesses for understanding complete G-code files. We also discuss the implications and limitations of using LLMs for G-code comprehension.

Biswajit Khara, Ethan Herron, Zhanhong Jiang et al.

Neural network-based approaches for solving partial differential equations (PDEs) have recently received special attention. However, the large majority of neural PDE solvers only apply to rectilinear domains, and do not systematically address the imposition of Dirichlet/Neumann boundary conditions over irregular domain boundaries. In this paper, we present a framework to neurally solve partial differential equations over domains with irregularly shaped (non-rectilinear) geometric boundaries. Our network takes in the shape of the domain as an input (represented using an unstructured point cloud, or any other parametric representation such as Non-Uniform Rational B-Splines) and is able to generalize to novel (unseen) irregular domains; the key technical ingredient to realizing this model is a novel approach for identifying the interior and exterior of the computational grid in a differentiable manner. We also perform a careful error analysis which reveals theoretical insights into several sources of error incurred in the model-building process. Finally, we showcase a wide variety of applications, along with favorable comparisons with ground truth solutions.

Zhanhong Jiang, Aditya Balu, Xian Yeow Lee et al.

Regret has been widely adopted as the metric of choice for evaluating the performance of online optimization algorithms for distributed, multi-agent systems. However, data/model variations associated with agents can significantly impact decisions and requires consensus among agents. Moreover, most existing works have focused on developing approaches for (either strongly or non-strongly) convex losses, and very few results have been obtained regarding regret bounds in distributed online optimization for general non-convex losses. To address these two issues, we propose a novel composite regret with a new network regret-based metric to evaluate distributed online optimization algorithms. We concretely define static and dynamic forms of the composite regret. By leveraging the dynamic form of our composite regret, we develop a consensus-based online normalized gradient (CONGD) approach for pseudo-convex losses, and it provably shows a sublinear behavior relating to a regularity term for the path variation of the optimizer. For general non-convex losses, we first shed light on the regret for the setting of distributed online non-convex learning based on recent advances such that no deterministic algorithm can achieve the sublinear regret. We then develop the distributed online non-convex optimization with composite regret (DINOCO) without access to the gradients, depending on an offline optimization oracle. DINOCO is shown to achieve sublinear regret; to our knowledge, this is the first regret bound for general distributed online non-convex learning.

Stefan Druc, Aditya Balu, Peter Wooldridge et al.

We explore the interpretability of 3D geometric deep learning models in the context of Computer-Aided Design (CAD). The field of parametric CAD can be limited by the difficulty of expressing high-level design concepts in terms of a few numeric parameters. In this paper, we use a deep learning architectures to encode high dimensional 3D shapes into a vectorized latent representation that can be used to describe arbitrary concepts. Specifically, we train a simple auto-encoder to parameterize a dataset of complex shapes. To understand the latent encoded space, we use the idea of Concept Activation Vectors (CAV) to reinterpret the latent space in terms of user-defined concepts. This allows modification of a reference design to exhibit more or fewer characteristics of a chosen concept or group of concepts. We also test the statistical significance of the identified concepts and determine the sensitivity of a physical quantity of interest across the dataset.

Stefan Druc, Peter Wooldridge, Adarsh Krishnamurthy et al.

Deep learning is becoming increasingly adopted in business and industry due to its ability to transform large quantities of data into high-performing models. These models, however, are generally regarded as black boxes, which, in spite of their performance, could prevent their use. In this context, the field of eXplainable AI attempts to develop techniques that temper the impenetrable nature of the models and promote a level of understanding of their behavior. Here we present our contribution to XAI methods in the form of a framework that we term SpecXAI, which is based on the spectral characterization of the entire network. We show how this framework can be used to not only understand the network but also manipulate it into a linear interpretable symbolic representation.

Kelly O. Marshall, Minh Pham, Ameya Joshi et al.

Current state-of-the-art methods for text-to-shape generation either require supervised training using a labeled dataset of pre-defined 3D shapes, or perform expensive inference-time optimization of implicit neural representations. In this work, we present ZeroForge, an approach for zero-shot text-to-shape generation that avoids both pitfalls. To achieve open-vocabulary shape generation, we require careful architectural adaptation of existing feed-forward approaches, as well as a combination of data-free CLIP-loss and contrastive losses to avoid mode collapse. Using these techniques, we are able to considerably expand the generative ability of existing feed-forward text-to-shape models such as CLIP-Forge. We support our method via extensive qualitative and quantitative evaluations

Mohammed Musthafa Rafi, Adarsh Krishnamurthy, Aditya Balu

The proliferation of AI-generated content has created an absurd communication theater where senders use LLMs to inflate simple ideas into verbose content, recipients use LLMs to compress them back into summaries, and as a consequence neither party engage with authentic content. LAAC (LLM as a Communicator) proposes a paradigm shift - positioning LLMs as intelligent communication intermediaries that capture the sender's intent through structured dialogue and facilitate genuine knowledge exchange with recipients. Rather than perpetuating cycles of AI-generated inflation and compression, LAAC enables authentic communication across diverse contexts including academic papers, proposals, professional emails, and cross-platform content generation. However, deploying LLMs as trusted communication intermediaries raises critical questions about information fidelity, consistency, and reliability. This position paper systematically evaluates the trustworthiness requirements for LAAC's deployment across multiple communication domains. We investigate three fundamental dimensions: (1) Information Capture Fidelity - accuracy of intent extraction during sender interviews across different communication types, (2) Reproducibility - consistency of structured knowledge across multiple interaction instances, and (3) Query Response Integrity - reliability of recipient-facing responses without hallucination, source conflation, or fabrication. Through controlled experiments spanning multiple LAAC use cases, we assess these trust dimensions using LAAC's multi-agent architecture. Preliminary findings reveal measurable trust gaps that must be addressed before LAAC can be reliably deployed in high-stakes communication scenarios.

Shreyan Ganguly, Angona Biswas, Jaydeep Rade et al.

Foundation vision-language models (VLMs) excel on natural images, but their utility for biomedical microscopy remains underexplored. In this paper, we investigate how in-context learning enables state-of-the-art VLMs to perform few-shot object detection when large annotated datasets are unavailable, as is often the case with microscopic images. We introduce the Micro-OD benchmark, a curated collection of 252 images specifically curated for in-context learning, with bounding-box annotations spanning 11 cell types across four sources, including two in-lab expert-annotated sets. We systematically evaluate eight VLMs under few-shot conditions and compare variants with and without implicit test-time reasoning tokens. We further implement a hybrid Few-Shot Object Detection (FSOD) pipeline that combines a detection head with a VLM-based few-shot classifier, which enhances the few-shot performance of recent VLMs on our benchmark. Across datasets, we observe that zero-shot performance is weak due to the domain gap; however, few-shot support consistently improves detection, with marginal gains achieved after six shots. We observe that models with reasoning tokens are more effective for end-to-end localization, whereas simpler variants are more suitable for classifying pre-localized crops. Our results highlight in-context adaptation as a practical path for microscopy, and our benchmark provides a reproducible testbed for advancing open-vocabulary detection in biomedical imaging.

Qisai Liu, Alloy Das, Zhanhong Jiang et al.

Foundation models like the Segment Anything Model (SAM) demonstrate impressive zero-shot generalization but frequently degrade under diverse real-world illumination, particularly for instance segmentation. In this work, we address this limitation by developing \textit{Lighting Convolutional-Attention (\lca{})}, an adapter module that enhances segmentation robustness without fine-tuning the heavy backbone. \lca{} employs a dual-branch architecture to process RGB features alongside contrast maps, enabling physically motivated sensitivity to structural changes rather than illumination artifacts. We optimize \lca{} through a pairwise training strategy, introducing a targeted loss term that explicitly penalizes discrepancies between clean images and their corresponding illumination variants. To evaluate and support this architecture, we conduct a comprehensive empirical study across multiple existing benchmarks and present a novel Unity-based synthetic dataset specifically designed to accurately replicate complex real-world lighting conditions. Extensive experimental results demonstrate that our approach successfully bridges the domain gap, delivering superior lighting-robust segmentation.

Qisai Liu, Zhanhong Jiang, Joshua Russell Waite et al.

Offline reinforcement learning struggles with distributional shift and constrained performance due to static dataset limitations, while online RL demands prohibitive environment interactions. The recent advent of hybrid offline-to-online methods bridges these domains but suffers from distribution drift during transitions and catastrophic forgetting of offline knowledge. We introduce COOPO (Cyclic Offline-Online Policy Optimization), a generalized framework that repeatedly cycles between constrained offline training and online fine-tuning. Each cycle first anchors the policy to the dataset via KL-regularized advantage-weighted offline updates to minimize distributional shift and then fine-tunes it online using any policy optimization for stable exploration. Crucially, periodically returning to offline training eliminates forgetting and drift while maximizing dataset reuse. The cyclic behavior also helps reduce the online environment interactions. Theoretically, COOPO achieves better online sample efficiency, surpassing pure online RL, with guaranteed monotonic improvement under standard coverage assumptions. Extensive D4RL benchmarks demonstrate COOPO reduces online interactions versus state-of-the-art hybrids while improving final returns, maintaining robustness across diverse offline algorithms and online optimizers. This looped synergy sets new efficiency and performance standards for adaptive RL.

Qisai Liu, Zhanhong Jiang, Timilehin Ayanlade et al.

We propose Tabular Q-Learning (TabQL), a reinforcement learning framework that replaces the conventional parametric Q-network in Deep Q-Learning (DQN) with a tabular foundation model endowed with in-context learning capabilities. The key idea is to represent Q-values through a sequence-to-sequence foundation model operating over a tabularized representation of state-action-Q-value tuples, enabling rapid adaptation from limited online interaction by conditioning on recent experience. TabQL departs from classical DQN by leveraging (i) zero- or few-shot Q-value inference via in-context updates, and (ii) a warm-up phase using standard DQN to bootstrap high-quality context. Particularly, to enhance the context quality, new transitions are generated by executing actions output by TabQL with predicted Q values from DQN. We formalize TabQL, analyze its convergence and sample complexity under mild assumptions, and show that TabQL interpolates between vanilla Q-learning and DQN with in-context learning. Our analysis demonstrates that TabQL achieves improved efficiency compared to DQN by amortizing Bellman updates through in-context learning. Extensive numerical experiments with several benchmarks showcase the effectiveness and efficacy of the proposed TabQL.

Hossein Zaremehrjerdi, Shreyan Ganguly, Ashlyn Rairdin et al.

Agricultural decision-making involves complex, context-specific reasoning, where choices about crops, practices, and interventions depend heavily on geographic, climatic, and economic conditions. Traditional large language models (LLMs) often fall short in navigating this nuanced problem due to limited reasoning capacity. We hypothesize that recent advances in large reasoning models (LRMs) can better handle such structured, domain-specific inference. To investigate this, we introduce AgReason, the first expert-curated open-ended science benchmark with 100 questions for agricultural reasoning. Evaluations across thirteen open-source and proprietary models reveal that LRMs outperform conventional ones, though notable challenges persist, with the strongest Gemini-based baseline achieving 36% accuracy. We also present AgThoughts, a large-scale dataset of 44.6K question-answer pairs generated with human oversight and equipped with synthetically generated reasoning traces. Using AgThoughts, we develop AgThinker, a suite of small reasoning models that can be run on consumer-grade GPUs, and show that our dataset can be effective in unlocking agricultural reasoning abilities in LLMs. Our project page is here: https://baskargroup.github.io/Ag_reasoning/

Mozhgan Hadadi, Mehdi Saraeian, Jackson Godbersen et al.

This study introduces a robust framework for generating procedural 3D models of maize (Zea mays) plants from LiDAR point cloud data, offering a scalable alternative to traditional field-based phenotyping. Our framework leverages Non-Uniform Rational B-Spline (NURBS) surfaces to model the leaves of maize plants, combining Particle Swarm Optimization (PSO) for an initial approximation of the surface and a differentiable programming framework for precise refinement of the surface to fit the point cloud data. In the first optimization phase, PSO generates an approximate NURBS surface by optimizing its control points, aligning the surface with the LiDAR data, and providing a reliable starting point for refinement. The second phase uses NURBS-Diff, a differentiable programming framework, to enhance the accuracy of the initial fit by refining the surface geometry and capturing intricate leaf details. Our results demonstrate that, while PSO establishes a robust initial fit, the integration of differentiable NURBS significantly improves the overall quality and fidelity of the reconstructed surface. This hierarchical optimization strategy enables accurate 3D reconstruction of maize leaves across diverse genotypes, facilitating the subsequent extraction of complex traits like phyllotaxy. We demonstrate our approach on diverse genotypes of field-grown maize plants. All our codes are open-source to democratize these phenotyping approaches.

Zhanhong Jiang, Md Zahid Hasan, Nastaran Saadati et al.

Stochastic optimization is a pivotal enabler in modern machine learning, producing effective models for various tasks. However, several existing works have shown that model parameters and gradient information are susceptible to privacy leakage. Although Differentially Private SGD (DPSGD) addresses privacy concerns, its static noise mechanism impacts the error bounds for model performance. Additionally, with the exponential increase in model parameters, efficient learning of these models using stochastic optimizers has become more challenging. To address these concerns, we introduce the Dynamically Differentially Private Projected SGD (D2P2-SGD) optimizer. In D2P2-SGD, we combine two important ideas: (i) dynamic differential privacy (DDP) with automatic gradient clipping and (ii) random projection with SGD, allowing dynamic adjustment of the tradeoff between utility and privacy of the model. It exhibits provably sub-linear convergence rates across different objective functions, matching the best available rate. The theoretical analysis further suggests that DDP leads to better utility at the cost of privacy, while random projection enables more efficient model learning. Extensive experiments across diverse datasets show that D2P2-SGD remarkably enhances accuracy while maintaining privacy. Our code is available here.

Qisai Liu, Zhanhong Jiang, Joshua R. Waite et al.

Sequence modeling is a critical yet challenging task with wide-ranging applications, especially in time series forecasting for domains like weather prediction, temperature monitoring, and energy load forecasting. Transformers, with their attention mechanism, have emerged as state-of-the-art due to their efficient parallel training, but they suffer from quadratic time complexity, limiting their scalability for long sequences. In contrast, recurrent neural networks (RNNs) offer linear time complexity, spurring renewed interest in linear RNNs for more computationally efficient sequence modeling. In this work, we introduce BLUR (Bidirectional Linear Unit for Recurrent network), which uses forward and backward linear recurrent units (LRUs) to capture both past and future dependencies with high computational efficiency. BLUR maintains the linear time complexity of traditional RNNs, while enabling fast parallel training through LRUs. Furthermore, it offers provably stable training and strong approximation capabilities, making it highly effective for modeling long-term dependencies. Extensive experiments on sequential image and time series datasets reveal that BLUR not only surpasses transformers and traditional RNNs in accuracy but also significantly reduces computational costs, making it particularly suitable for real-world forecasting tasks. Our code is available here.

Yasaman Esfandiari, Sin Yong Tan, Zhanhong Jiang et al.

Decentralized learning enables a group of collaborative agents to learn models using a distributed dataset without the need for a central parameter server. Recently, decentralized learning algorithms have demonstrated state-of-the-art results on benchmark data sets, comparable with centralized algorithms. However, the key assumption to achieve competitive performance is that the data is independently and identically distributed (IID) among the agents which, in real-life applications, is often not applicable. Inspired by ideas from continual learning, we propose Cross-Gradient Aggregation (CGA), a novel decentralized learning algorithm where (i) each agent aggregates cross-gradient information, i.e., derivatives of its model with respect to its neighbors' datasets, and (ii) updates its model using a projected gradient based on quadratic programming (QP). We theoretically analyze the convergence characteristics of CGA and demonstrate its efficiency on non-IID data distributions sampled from the MNIST and CIFAR-10 datasets. Our empirical comparisons show superior learning performance of CGA over existing state-of-the-art decentralized learning algorithms, as well as maintaining the improved performance under information compression to reduce peer-to-peer communication overhead. The code is available here on GitHub.

Lucas Nerone Rillo, Zhanhong Jiang, Nastaran Saadati et al.

We present Agentic Decentralized Knowledge Optimization (ADKO), a framework for collaborative black-box optimization across autonomous agents that achieves sample efficiency, privacy preservation, heterogeneous-objective handling, and communication efficiency. Each agent maintains a private Gaussian Process (GP) surrogate trained on local data and communicates only through knowledge tokens-compact, lossy summaries containing directional signals, advantage scores, and optional language-model (LM) insights-without sharing raw data or model parameters. ADKO unifies GP-Upper Confidence Bound (GP-UCB), parallel Bayesian optimization, decentralized learning, and LM-guided discovery. We provide the first formal analysis of dual information loss: token compression, quantified via mutual-information-based fidelity, and LM approximation error, decomposed into bias and stochastic noise. Our main result shows cumulative regret decomposes into GP error, LM bias, LM noise, and compression loss, with necessary and sufficient conditions for sublinear regret. We also propose fidelity-aware token pruning to preserve high-information tokens under memory budget. Experiments on neural architecture search and scientific discovery validate the theory and show consistent improvements over strong baselines.

Muhammad Arbab Arshad, Talukder Jubery, James Afful et al.

We evaluate different Neural Radiance Fields (NeRFs) techniques for the 3D reconstruction of plants in varied environments, from indoor settings to outdoor fields. Traditional methods usually fail to capture the complex geometric details of plants, which is crucial for phenotyping and breeding studies. We evaluate the reconstruction fidelity of NeRFs in three scenarios with increasing complexity and compare the results with the point cloud obtained using LiDAR as ground truth. In the most realistic field scenario, the NeRF models achieve a 74.6% F1 score after 30 minutes of training on the GPU, highlighting the efficacy of NeRFs for 3D reconstruction in challenging environments. Additionally, we propose an early stopping technique for NeRF training that almost halves the training time while achieving only a reduction of 7.4% in the average F1 score. This optimization process significantly enhances the speed and efficiency of 3D reconstruction using NeRFs. Our findings demonstrate the potential of NeRFs in detailed and realistic 3D plant reconstruction and suggest practical approaches for enhancing the speed and efficiency of NeRFs in the 3D reconstruction process.

Nastaran Saadati, Minh Pham, Nasla Saleem et al.

Recent advances in decentralized deep learning algorithms have demonstrated cutting-edge performance on various tasks with large pre-trained models. However, a pivotal prerequisite for achieving this level of competitiveness is the significant communication and computation overheads when updating these models, which prohibits the applications of them to real-world scenarios. To address this issue, drawing inspiration from advanced model merging techniques without requiring additional training, we introduce the Decentralized Iterative Merging-And-Training (DIMAT) paradigm--a novel decentralized deep learning framework. Within DIMAT, each agent is trained on their local data and periodically merged with their neighboring agents using advanced model merging techniques like activation matching until convergence is achieved. DIMAT provably converges with the best available rate for nonconvex functions with various first-order methods, while yielding tighter error bounds compared to the popular existing approaches. We conduct a comprehensive empirical analysis to validate DIMAT's superiority over baselines across diverse computer vision tasks sourced from multiple datasets. Empirical results validate our theoretical claims by showing that DIMAT attains faster and higher initial gain in accuracy with independent and identically distributed (IID) and non-IID data, incurring lower communication overhead. This DIMAT paradigm presents a new opportunity for the future decentralized learning, enhancing its adaptability to real-world with sparse and light-weight communication and computation.

Nasla Saleem, Talukder Zaki Jubery, Aditya Balu et al.

High-density planting is a widely adopted strategy to enhance maize productivity, yet it introduces challenges such as increased interplant competition and shading, which can limit light capture and overall yield potential. In response, some maize plants naturally reorient their canopies to optimize light capture, a process known as canopy reorientation. Understanding this adaptive response and its impact on light capture is crucial for maximizing agricultural yield potential. This study introduces an end-to-end framework that integrates realistic 3D reconstructions of field-grown maize with photosynthetically active radiation (PAR) modeling to assess the effects of phyllotaxy and planting density on light interception. In particular, using 3D point clouds derived from field data, virtual fields for a diverse set of maize genotypes were constructed and validated against field PAR measurements. Using this framework, we present detailed analyses of the impact of canopy orientations, plant and row spacings, and planting row directions on PAR interception throughout a typical growing season. Our findings highlight significant variations in light interception efficiency across different planting densities and canopy orientations. By elucidating the relationship between canopy architecture and light capture, this study offers valuable guidance for optimizing maize breeding and cultivation strategies across diverse agricultural settings.

Ali Rabeh, Ethan Herron, Aditya Balu et al.

Rapid and accurate simulations of fluid dynamics around complicated geometric bodies are critical in a variety of engineering and scientific applications, including aerodynamics and biomedical flows. However, while scientific machine learning (SciML) has shown considerable promise, most studies in this field are limited to simple geometries, and complex, real-world scenarios are underexplored. This paper addresses this gap by benchmarking diverse SciML models, including neural operators and vision transformer-based foundation models, for fluid flow prediction over intricate geometries. Using a high-fidelity dataset of steady-state flows across various geometries, we evaluate the impact of geometric representations -- Signed Distance Fields (SDF) and binary masks -- on model accuracy, scalability, and generalization. Central to this effort is the introduction of a novel, unified scoring framework that integrates metrics for global accuracy, boundary layer fidelity, and physical consistency to enable a robust, comparative evaluation of model performance. Our findings demonstrate that newer foundation models significantly outperform neural operators, particularly in data-limited scenarios, and that SDF representations yield superior results with sufficient training data. Despite these promises, all models struggle with out-of-distribution generalization, highlighting a critical challenge for future SciML applications. By advancing both evaluation models and modeling capabilities, our work paves the way for robust and scalable ML solutions for fluid dynamics across complex geometries.

Jiale Feng, Samuel W. Blair, Timilehin Ayanlade et al.

We present a novel method for soybean (Glycine max (L.) Merr.) yield estimation leveraging high throughput seed counting via computer vision and deep learning techniques. Traditional methods for collecting yield data are labor-intensive, costly, prone to equipment failures at critical data collection times, and require transportation of equipment across field sites. Computer vision, the field of teaching computers to interpret visual data, allows us to extract detailed yield information directly from images. By treating it as a computer vision task, we report a more efficient alternative, employing a ground robot equipped with fisheye cameras to capture comprehensive videos of soybean plots from which images are extracted in a variety of development programs. These images are processed through the P2PNet-Yield model, a deep learning framework where we combined a Feature Extraction Module (the backbone of the P2PNet-Soy) and a Yield Regression Module to estimate seed yields of soybean plots. Our results are built on three years of yield testing plot data - 8500 in 2021, 2275 in 2022, and 650 in 2023. With these datasets, our approach incorporates several innovations to further improve the accuracy and generalizability of the seed counting and yield estimation architecture, such as the fisheye image correction and data augmentation with random sensor effects. The P2PNet-Yield model achieved a genotype ranking accuracy score of up to 83%. It demonstrates up to a 32% reduction in time to collect yield data as well as costs associated with traditional yield estimation, offering a scalable solution for breeding programs and agricultural productivity enhancement.

Yanben Shen, Timilehin T. Ayanlade, Venkata Naresh Boddepalli et al.

Early identification of weeds is essential for effective management and control, and there is growing interest in automating the process using computer vision techniques coupled with AI methods. However, challenges associated with training AI-based weed identification models, such as limited expert-verified data and complexity and variability in morphological features, have hindered progress. To address these issues, we present WeedNet, the first global-scale weed identification model capable of recognizing an extensive set of weed species, including noxious and invasive plant species. WeedNet is an end-to-end real-time weed identification pipeline and uses self-supervised learning, fine-tuning, and enhanced trustworthiness strategies. WeedNet achieved 91.02% accuracy across 1,593 weed species, with 41% species achieving 100% accuracy. Using a fine-tuning strategy and a Global-to-Local approach, the local Iowa WeedNet model achieved an overall accuracy of 97.38% for 85 Iowa weeds, most classes exceeded a 90% mean accuracy per class. Testing across intra-species dissimilarity (developmental stages) and inter-species similarity (look-alike species) suggests that diversity in the images collected, spanning all the growth stages and distinguishable plant characteristics, is crucial in driving model performance. The generalizability and adaptability of the Global WeedNet model enable it to function as a foundational model, with the Global-to-Local strategy allowing fine-tuning for region-specific weed communities. Additional validation of drone- and ground-rover-based images highlights the potential of WeedNet for integration into robotic platforms. Furthermore, integration with AI for conversational use provides intelligent agricultural and ecological conservation consulting tools for farmers, agronomists, researchers, land managers, and government agencies across diverse landscapes.

Anushrut Jignasu, Ethan Herron, Zhanhong Jiang et al.

We present STITCH, a novel approach for neural implicit surface reconstruction of a sparse and irregularly spaced point cloud while enforcing topological constraints (such as having a single connected component). We develop a new differentiable framework based on persistent homology to formulate topological loss terms that enforce the prior of a single 2-manifold object. Our method demonstrates excellent performance in preserving the topology of complex 3D geometries, evident through both visual and empirical comparisons. We supplement this with a theoretical analysis, and provably show that optimizing the loss with stochastic (sub)gradient descent leads to convergence and enables reconstructing shapes with a single connected component. Our approach showcases the integration of differentiable topological data analysis tools for implicit surface reconstruction.

Juntao Zhang, Angona Biswas, Jaydeep Rade et al.

Atomic Force Microscopy (AFM) enables high-resolution surface imaging at the nanoscale, yet the output is often degraded by artifacts introduced by environmental noise, scanning imperfections, and tip-sample interactions. To address this challenge, a lightweight and fully automated framework for artifact detection and restoration in AFM image analysis is presented. The pipeline begins with a classification model that determines whether an AFM image contains artifacts. If necessary, a lightweight semantic segmentation network, custom-designed and trained on AFM data, is applied to generate precise artifact masks. These masks are adaptively expanded based on their structural orientation and then inpainted using a directional neighbor-based interpolation strategy to preserve 3D surface continuity. A localized Gaussian smoothing operation is then applied for seamless restoration. The system is integrated into a user-friendly GUI that supports real-time parameter adjustments and batch processing. Experimental results demonstrate the effective artifact removal while preserving nanoscale structural details, providing a robust, geometry-aware solution for high-fidelity AFM data interpretation.

Nastaran Saadati, Zhanhong Jiang, Joshua R. Waite et al.

Low-Rank Adaptation (LoRA) has emerged as one of the most effective, computationally tractable fine-tuning approaches for training Vision-Language Models (VLMs) and Large Language Models (LLMs). LoRA accomplishes this by freezing the pre-trained model weights and injecting trainable low-rank matrices, allowing for efficient learning of these foundation models even on edge devices. However, LoRA in decentralized settings still remains under explored, particularly for the theoretical underpinnings due to the lack of smoothness guarantee and model consensus interference (defined formally below). This work improves the convergence rate of decentralized LoRA (DLoRA) to match the rate of decentralized SGD by ensuring gradient smoothness. We also introduce DeCAF, a novel algorithm integrating DLoRA with truncated singular value decomposition (TSVD)-based matrix factorization to resolve consensus interference. Theoretical analysis shows TSVD's approximation error is bounded and consensus differences between DLoRA and DeCAF vanish as rank increases, yielding DeCAF's matching convergence rate. Extensive experiments across vision/language tasks demonstrate our algorithms outperform local training and rivals federated learning under both IID and non-IID data distributions.

Kibon Ku, Talukder Z Jubery, Elijah Rodriguez et al.

This paper presents a NeRF-based framework for point cloud (PCD) reconstruction, specifically designed for indoor high-throughput plant phenotyping facilities. Traditional NeRF-based reconstruction methods require cameras to move around stationary objects, but this approach is impractical for high-throughput environments where objects are rapidly imaged while moving on conveyors or rotating pedestals. To address this limitation, we develop a variant of NeRF-based PCD reconstruction that uses a single stationary camera to capture images as the object rotates on a pedestal. Our workflow comprises COLMAP-based pose estimation, a straightforward pose transformation to simulate camera movement, and subsequent standard NeRF training. A defined Region of Interest (ROI) excludes irrelevant scene data, enabling the generation of high-resolution point clouds (10M points). Experimental results demonstrate excellent reconstruction fidelity, with precision-recall analyses yielding an F-score close to 100.00 across all evaluated plant objects. Although pose estimation remains computationally intensive with a stationary camera setup, overall training and reconstruction times are competitive, validating the method's feasibility for practical high-throughput indoor phenotyping applications. Our findings indicate that high-quality NeRF-based 3D reconstructions are achievable using a stationary camera, eliminating the need for complex camera motion or costly imaging equipment. This approach is especially beneficial when employing expensive and delicate instruments, such as hyperspectral cameras, for 3D plant phenotyping. Future work will focus on optimizing pose estimation techniques and further streamlining the methodology to facilitate seamless integration into automated, high-throughput 3D phenotyping pipelines.

Elvis Kimara, Mozhgan Hadadi, Jackson Godbersen et al.

The development of artificial intelligence (AI) and machine learning (ML) based tools for 3D phenotyping, especially for maize, has been limited due to the lack of large and diverse 3D datasets. 2D image datasets fail to capture essential structural details such as leaf architecture, plant volume, and spatial arrangements that 3D data provide. To address this limitation, we present MaizeField3D (https://baskargroup.github.io/MaizeField3D/), a curated dataset of 3D point clouds of field-grown maize plants from a diverse genetic panel, designed to be AI-ready for advancing agricultural research. Our dataset includes 1,045 high-quality point clouds of field-grown maize collected using a terrestrial laser scanner (TLS). Point clouds of 520 plants from this dataset were segmented and annotated using a graph-based segmentation method to isolate individual leaves and stalks, ensuring consistent labeling across all samples. This labeled data was then used for fitting procedural models that provide a structured parametric representation of the maize plants. The leaves of the maize plants in the procedural models are represented using Non-Uniform Rational B-Spline (NURBS) surfaces that were generated using a two-step optimization process combining gradient-free and gradient-based methods. We conducted rigorous manual quality control on all datasets, correcting errors in segmentation, ensuring accurate leaf ordering, and validating metadata annotations. The dataset also includes metadata detailing plant morphology and quality, alongside multi-resolution subsampled point cloud data (100k, 50k, 10k points), which can be readily used for different downstream computational tasks. MaizeField3D will serve as a comprehensive foundational dataset for AI-driven phenotyping, plant structural analysis, and 3D applications in agricultural research.

Zhanhong Jiang, Md Zahid Hasan, Aditya Balu et al.

Stochastic optimization methods have actively been playing a critical role in modern machine learning algorithms to deliver decent performance. While numerous works have proposed and developed diverse approaches, first-order and second-order methods are in entirely different situations. The former is significantly pivotal and dominating in emerging deep learning but only leads convergence to a stationary point. However, second-order methods are less popular due to their computational intensity in large-dimensional problems. This paper presents a novel method that leverages both the first-order and second-order methods in a unified algorithmic framework, termed FUSE, from which a practical version (PV) is derived accordingly. FUSE-PV stands as a simple yet efficient optimization method involving a switch-over between first and second orders. Additionally, we develop different criteria that determine when to switch. FUSE-PV has provably shown a smaller computational complexity than SGD and Adam. To validate our proposed scheme, we present an ablation study on several simple test functions and show a comparison with baselines for benchmark datasets.

Nasla Saleem, Aditya Balu, Talukder Zaki Jubery et al.

Data augmentation is a powerful tool for improving deep learning-based image classifiers for plant stress identification and classification. However, selecting an effective set of augmentations from a large pool of candidates remains a key challenge, particularly in imbalanced and confounding datasets. We propose an approach for automated class-specific data augmentation using a genetic algorithm. We demonstrate the utility of our approach on soybean [Glycine max (L.) Merr] stress classification where symptoms are observed on leaves; a particularly challenging problem due to confounding classes in the dataset. Our approach yields substantial performance, achieving a mean-per-class accuracy of 97.61% and an overall accuracy of 98% on the soybean leaf stress dataset. Our method significantly improves the accuracy of the most challenging classes, with notable enhancements from 83.01% to 88.89% and from 85.71% to 94.05%, respectively. A key observation we make in this study is that high-performing augmentation strategies can be identified in a computationally efficient manner. We fine-tune only the linear layer of the baseline model with different augmentations, thereby reducing the computational burden associated with training classifiers from scratch for each augmentation policy while achieving exceptional performance. This research represents an advancement in automated data augmentation strategies for plant stress classification, particularly in the context of confounding datasets. Our findings contribute to the growing body of research in tailored augmentation techniques and their potential impact on disease management strategies, crop yields, and global food security. The proposed approach holds the potential to enhance the accuracy and efficiency of deep learning-based tools for managing plant stresses in agriculture.

Mojdeh Saadati, Aditya Balu, Shivani Chiranjeevi et al.

Deep learning-based approaches have produced models with good insect classification accuracy; Most of these models are conducive for application in controlled environmental conditions. One of the primary emphasis of researchers is to implement identification and classification models in the real agriculture fields, which is challenging because input images that are wildly out of the distribution (e.g., images like vehicles, animals, humans, or a blurred image of an insect or insect class that is not yet trained on) can produce an incorrect insect classification. Out-of-distribution (OOD) detection algorithms provide an exciting avenue to overcome these challenge as it ensures that a model abstains from making incorrect classification prediction of non-insect and/or untrained insect class images. We generate and evaluate the performance of state-of-the-art OOD algorithms on insect detection classifiers. These algorithms represent a diversity of methods for addressing an OOD problem. Specifically, we focus on extrusive algorithms, i.e., algorithms that wrap around a well-trained classifier without the need for additional co-training. We compared three OOD detection algorithms: (i) Maximum Softmax Probability, which uses the softmax value as a confidence score, (ii) Mahalanobis distance-based algorithm, which uses a generative classification approach; and (iii) Energy-Based algorithm that maps the input data to a scalar value, called energy. We performed an extensive series of evaluations of these OOD algorithms across three performance axes: (a) \textit{Base model accuracy}: How does the accuracy of the classifier impact OOD performance? (b) How does the \textit{level of dissimilarity to the domain} impact OOD performance? and (c) \textit{Data imbalance}: How sensitive is OOD performance to the imbalance in per-class sample size?

Zhanhong Jiang, Xian Yeow Lee, Sin Yong Tan et al.

We propose a novel policy gradient method for multi-agent reinforcement learning, which leverages two different variance-reduction techniques and does not require large batches over iterations. Specifically, we propose a momentum-based decentralized policy gradient tracking (MDPGT) where a new momentum-based variance reduction technique is used to approximate the local policy gradient surrogate with importance sampling, and an intermediate parameter is adopted to track two consecutive policy gradient surrogates. Moreover, MDPGT provably achieves the best available sample complexity of $\mathcal{O}(N^{-1}ε^{-3})$ for converging to an $ε$-stationary point of the global average of $N$ local performance functions (possibly nonconcave). This outperforms the state-of-the-art sample complexity in decentralized model-free reinforcement learning, and when initialized with a single trajectory, the sample complexity matches those obtained by the existing decentralized policy gradient methods. We further validate the theoretical claim for the Gaussian policy function. When the required error tolerance $ε$ is small enough, MDPGT leads to a linear speed up, which has been previously established in decentralized stochastic optimization, but not for reinforcement learning. Lastly, we provide empirical results on a multi-agent reinforcement learning benchmark environment to support our theoretical findings.

Biswajit Khara, Aditya Balu, Ameya Joshi et al.

We consider a mesh-based approach for training a neural network to produce field predictions of solutions to parametric partial differential equations (PDEs). This approach contrasts current approaches for "neural PDE solvers" that employ collocation-based methods to make point-wise predictions of solutions to PDEs. This approach has the advantage of naturally enforcing different boundary conditions as well as ease of invoking well-developed PDE theory -- including analysis of numerical stability and convergence -- to obtain capacity bounds for our proposed neural networks in discretized domains. We explore our mesh-based strategy, called NeuFENet, using a weighted Galerkin loss function based on the Finite Element Method (FEM) on a parametric elliptic PDE. The weighted Galerkin loss (FEM loss) is similar to an energy functional that produces improved solutions, satisfies a priori mesh convergence, and can model Dirichlet and Neumann boundary conditions. We prove theoretically, and illustrate with experiments, convergence results analogous to mesh convergence analysis deployed in finite element solutions to PDEs. These results suggest that a mesh-based neural network approach serves as a promising approach for solving parametric PDEs with theoretical bounds.

Minsu Cho, Aditya Balu, Ameya Joshi et al.

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically require that the machine learning models be differentiable, limiting their applicability. Our goal in this paper is to use a new, principled approach to extend gradient-based optimization to functions well modeled by splines, which encompass a large family of piecewise polynomial models. We derive the form of the (weak) Jacobian of such functions and show that it exhibits a block-sparse structure that can be computed implicitly and efficiently. Overall, we show that leveraging this redesigned Jacobian in the form of a differentiable "layer" in predictive models leads to improved performance in diverse applications such as image segmentation, 3D point cloud reconstruction, and finite element analysis.

Anjana Deva Prasad, Aditya Balu, Harshil Shah et al.

Boundary representations (B-reps) using Non-Uniform Rational B-splines (NURBS) are the de facto standard used in CAD, but their utility in deep learning-based approaches is not well researched. We propose a differentiable NURBS module to integrate NURBS representations of CAD models with deep learning methods. We mathematically define the derivatives of the NURBS curves or surfaces with respect to the input parameters (control points, weights, and the knot vector). These derivatives are used to define an approximate Jacobian used for performing the "backward" evaluation to train the deep learning models. We have implemented our NURBS module using GPU-accelerated algorithms and integrated it with PyTorch, a popular deep learning framework. We demonstrate the efficacy of our NURBS module in performing CAD operations such as curve or surface fitting and surface offsetting. Further, we show its utility in deep learning for unsupervised point cloud reconstruction and enforce analysis constraints. These examples show that our module performs better for certain deep learning frameworks and can be directly integrated with any deep-learning framework requiring NURBS.

Aditya Balu, Sergio Botelho, Biswajit Khara et al.

We consider the distributed training of large-scale neural networks that serve as PDE solvers producing full field outputs. We specifically consider neural solvers for the generalized 3D Poisson equation over megavoxel domains. A scalable framework is presented that integrates two distinct advances. First, we accelerate training a large model via a method analogous to the multigrid technique used in numerical linear algebra. Here, the network is trained using a hierarchy of increasing resolution inputs in sequence, analogous to the 'V', 'W', 'F', and 'Half-V' cycles used in multigrid approaches. In conjunction with the multi-grid approach, we implement a distributed deep learning framework which significantly reduces the time to solve. We show the scalability of this approach on both GPU (Azure VMs on Cloud) and CPU clusters (PSC Bridges2). This approach is deployed to train a generalized 3D Poisson solver that scales well to predict output full-field solutions up to the resolution of 512x512x512 for a high dimensional family of inputs.

Jaydeep Rade, Aditya Balu, Ethan Herron et al.

Topology optimization has emerged as a popular approach to refine a component's design and increase its performance. However, current state-of-the-art topology optimization frameworks are compute-intensive, mainly due to multiple finite element analysis iterations required to evaluate the component's performance during the optimization process. Recently, machine learning (ML)-based topology optimization methods have been explored by researchers to alleviate this issue. However, previous ML approaches have mainly been demonstrated on simple two-dimensional applications with low-resolution geometry. Further, current methods are based on a single ML model for end-to-end prediction, which requires a large dataset for training. These challenges make it non-trivial to extend current approaches to higher resolutions. In this paper, we develop deep learning-based frameworks consistent with traditional topology optimization algorithms for 3D topology optimization with a reasonably fine (high) resolution. We achieve this by training multiple networks, each learning a different step of the overall topology optimization methodology, making the framework more consistent with the topology optimization algorithm. We demonstrate the application of our framework on both 2D and 3D geometries. The results show that our approach predicts the final optimized design better (5.76x reduction in total compliance MSE in 2D; 2.03x reduction in total compliance MSE in 3D) than current ML-based topology optimization methods.

Aditya Balu, Zhanhong Jiang, Sin Yong Tan et al.

We consider the problem of decentralized deep learning where multiple agents collaborate to learn from a distributed dataset. While there exist several decentralized deep learning approaches, the majority consider a central parameter-server topology for aggregating the model parameters from the agents. However, such a topology may be inapplicable in networked systems such as ad-hoc mobile networks, field robotics, and power network systems where direct communication with the central parameter server may be inefficient. In this context, we propose and analyze a novel decentralized deep learning algorithm where the agents interact over a fixed communication topology (without a central server). Our algorithm is based on the heavy-ball acceleration method used in gradient-based optimization. We propose a novel consensus protocol where each agent shares with its neighbors its model parameters as well as gradient-momentum values during the optimization process. We consider both strongly convex and non-convex objective functions and theoretically analyze our algorithm's performance. We present several empirical comparisons with competing decentralized learning methods to demonstrate the efficacy of our approach under different communication topologies.

Yasaman Esfandiari, Aditya Balu, Keivan Ebrahimi et al.

Recent focus on robustness to adversarial attacks for deep neural networks produced a large variety of algorithms for training robust models. Most of the effective algorithms involve solving the min-max optimization problem for training robust models (min step) under worst-case attacks (max step). However, they often suffer from high computational cost from running several inner maximization iterations (to find an optimal attack) inside every outer minimization iteration. Therefore, it becomes difficult to readily apply such algorithms for moderate to large size real world data sets. To alleviate this, we explore the effectiveness of iterative descent-ascent algorithms where the maximization and minimization steps are executed in an alternate fashion to simultaneously obtain the worst-case attack and the corresponding robust model. Specifically, we propose a novel discrete-time dynamical system-based algorithm that aims to find the saddle point of a min-max optimization problem in the presence of uncertainties. Under the assumptions that the cost function is convex and uncertainties enter concavely in the robust learning problem, we analytically show that our algorithm converges asymptotically to the robust optimal solution under a general adversarial budget constraints as induced by $\ell_p$ norm, for $1\leq p\leq \infty$. Based on our proposed analysis, we devise a fast robust training algorithm for deep neural networks. Although such training involves highly non-convex robust optimization problems, empirical results show that the algorithm can achieve significant robustness compared to other state-of-the-art robust models on benchmark data sets.

Zhanhong Jiang, Aditya Balu, Sin Yong Tan et al.

In this paper, we investigate the popular deep learning optimization routine, Adam, from the perspective of statistical moments. While Adam is an adaptive lower-order moment based (of the stochastic gradient) method, we propose an extension namely, HAdam, which uses higher order moments of the stochastic gradient. Our analysis and experiments reveal that certain higher-order moments of the stochastic gradient are able to achieve better performance compared to the vanilla Adam algorithm. We also provide some analysis of HAdam related to odd and even moments to explain some intriguing and seemingly non-intuitive empirical results.

Xian Yeow Lee, Aditya Balu, Daniel Stoecklein et al.

Microfluidic devices are utilized to control and direct flow behavior in a wide variety of applications, particularly in medical diagnostics. A particularly popular form of microfluidics -- called inertial microfluidic flow sculpting -- involves placing a sequence of pillars to controllably deform an initial flow field into a desired one. Inertial flow sculpting can be formally defined as an inverse problem, where one identifies a sequence of pillars (chosen, with replacement, from a finite set of pillars, each of which produce a specific transformation) whose composite transformation results in a user-defined desired transformation. Endemic to most such problems in engineering, inverse problems are usually quite computationally intractable, with most traditional approaches based on search and optimization strategies. In this paper, we pose this inverse problem as a Reinforcement Learning (RL) problem. We train a DoubleDQN agent to learn from this environment. The results suggest that learning is possible using a DoubleDQN model with the success frequency reaching 90% in 200,000 episodes and the rewards converging. While most of the results are obtained by fixing a particular target flow shape to simplify the learning problem, we later demonstrate how to transfer the learning of an agent based on one target shape to another, i.e. from one design to another and thus be useful for a generic design of a flow shape.

Rahul Singh, Aayush Sharma, Onur Rauf Bingol et al.

The need for advanced materials has led to the development of complex, multi-component alloys or solid-solution alloys. These materials have shown exceptional properties like strength, toughness, ductility, electrical and electronic properties. Current development of such material systems are hindered by expensive experiments and computationally demanding first-principles simulations. Atomistic simulations can provide reasonable insights on properties in such material systems. However, the issue of designing robust potentials still exists. In this paper, we explore a deep convolutional neural-network based approach to develop the atomistic potential for such complex alloys to investigate materials for insights into controlling properties. In the present work, we propose a voxel representation of the atomic configuration of a cell and design a 3D convolutional neural network to learn the interaction of the atoms. Our results highlight the performance of the 3D convolutional neural network and its efficacy in machine-learning the atomistic potential. We also explore the role of voxel resolution and provide insights into the two bounding box methodologies implemented for voxelization.

Sambit Ghadai, Xian Lee, Aditya Balu et al.

3D object recognition accuracy can be improved by learning the multi-scale spatial features from 3D spatial geometric representations of objects such as point clouds, 3D models, surfaces, and RGB-D data. Current deep learning approaches learn such features either using structured data representations (voxel grids and octrees) or from unstructured representations (graphs and point clouds). Learning features from such structured representations is limited by the restriction on resolution and tree depth while unstructured representations creates a challenge due to non-uniformity among data samples. In this paper, we propose an end-to-end multi-level learning approach on a multi-level voxel grid to overcome these drawbacks. To demonstrate the utility of the proposed multi-level learning, we use a multi-level voxel representation of 3D objects to perform object recognition. The multi-level voxel representation consists of a coarse voxel grid that contains volumetric information of the 3D object. In addition, each voxel in the coarse grid that contains a portion of the object boundary is subdivided into multiple fine-level voxel grids. The performance of our multi-level learning algorithm for object recognition is comparable to dense voxel representations while using significantly lower memory.

Zhanhong Jiang, Aditya Balu, Chinmay Hegde et al.

In distributed machine learning, where agents collaboratively learn from diverse private data sets, there is a fundamental tension between consensus and optimality. In this paper, we build on recent algorithmic progresses in distributed deep learning to explore various consensus-optimality trade-offs over a fixed communication topology. First, we propose the incremental consensus-based distributed SGD (i-CDSGD) algorithm, which involves multiple consensus steps (where each agent communicates information with its neighbors) within each SGD iteration. Second, we propose the generalized consensus-based distributed SGD (g-CDSGD) algorithm that enables us to navigate the full spectrum from complete consensus (all agents agree) to complete disagreement (each agent converges to individual model parameters). We analytically establish convergence of the proposed algorithms for strongly convex and nonconvex objective functions; we also analyze the momentum variants of the algorithms for the strongly convex case. We support our algorithms via numerical experiments, and demonstrate significant improvements over existing methods for collaborative deep learning.

Aditya Balu, Thanh V. Nguyen, Apurva Kokate et al.

We introduce a new, systematic framework for visualizing information flow in deep networks. Specifically, given any trained deep convolutional network model and a given test image, our method produces a compact support in the image domain that corresponds to a (high-resolution) feature that contributes to the given explanation. Our method is both computationally efficient as well as numerically robust. We present several preliminary numerical results that support the benefits of our framework over existing methods.