Himanshu Sharma

George D. Pasparakis, Himanshu Sharma, Rushik Desai et al.

A physics-constrained Gaussian Process regression framework is developed for predicting shocked material states and their associated uncertainties along the Hugoniot curve using data from a small number of shockwave simulations. The proposed Gaussian process is constrained by the Rankine-Hugoniot jump conditions between the various shocked material states to construct a thermodynamically consistent covariance function. This leads to the formulation of an optimization problem over a small number of interpretable hyperparameters and enables the identification of regime transitions, from a leading elastic wave to trailing plastic and phase transformation waves. Shock Hugoniots are an important measure for understanding material behavior under extreme conditions, including for the development of equations of state and determining material properties such as the Hugoniot Elastic Limit, but they are costly to generate through large-scale molecular dynamics simulations or shock experiments. Under these constraints, the proposed methodology establishes Hugoniot curves from a limited number of molecular dynamics simulations. We consider silicon carbide as a representative material and Molecular Dynamics simulations are performed using a reverse ballistic approach. The framework reproduces the Hugoniot curve with satisfactory accuracy while also quantifying the uncertainty in the predictions using the Gaussian Process posterior. These uncertain Hugoniot predictions can then be used to calibrate equation of state models, estimate material properties, or inform future experimental and/or simulation campaigns.

Himanshu Sharma, Umesh Vaidya, Baskar Ganapathysubramanian

Sensors in buildings are used for a wide variety of applications such as monitoring air quality, contaminants, indoor temperature, and relative humidity. These are used for accessing and ensuring indoor air quality, and also for ensuring safety in the event of chemical and biological attacks. It follows that optimal placement of sensors become important to accurately monitor contaminant levels in the indoor environment. However, contaminant transport inside the indoor environment is governed by the indoor flow conditions which are affected by various uncertainties associated with the building systems including occupancy and boundary fluxes. Therefore, it is important to account for all associated uncertainties while designing the sensor layout. The transfer operator based framework provides an effective way to identify optimal placement of sensors. Previous work has been limited to sensor placements under deterministic scenarios. In this work we extend the transfer operator based approach for optimal sensor placement while accounting for building systems uncertainties. The methodology provides a probabilistic metric to gauge coverage under uncertain conditions. We illustrate the capabilities of the framework with examples exhibiting boundary flux uncertainty.

Himanshu Sharma, Anthony D. Fontanini, Umesh Vaidya et al.

Dynamical system-based linear transfer Perron- Frobenius (P-F) operator framework is developed to address analysis and design problems in the building system. In particular, the problems of fast contaminant propagation and optimal placement of sensors in uncertain operating conditions of indoor building environment are addressed. The linear nature of transfer P-F operator is exploited to develop a computationally efficient numerical scheme based on the finite dimensional approximation of P-F operator for fast propagation of contaminants. The proposed scheme is an order of magnitude faster than existing methods that rely on simulation of an advection-diffusion partial differential equation for contami- nant transport. Furthermore, the system-theoretic notion of observability gramian is generalized to nonlinear flow fields using the transfer P-F operator. This developed notion of observability gramian for nonlinear flow field combined with the finite dimensional approximation of P-F operator is used to provide a systematic procedure for optimal placement of sensors under uncertain operating conditions. Simulation results are presented to demonstrate the applicability of the developed framework on the IEA-annex 2D benchmark problem.

Aowabin Rahman, Arnab Bhattacharya, Thiagarajan Ramachandran et al.

Search and Rescue (SAR) missions in remote environments often employ autonomous multi-robot systems that learn, plan, and execute a combination of local single-robot control actions, group primitives, and global mission-oriented coordination and collaboration. Often, SAR coordination strategies are manually designed by human experts who can remotely control the multi-robot system and enable semi-autonomous operations. However, in remote environments where connectivity is limited and human intervention is often not possible, decentralized collaboration strategies are needed for fully-autonomous operations. Nevertheless, decentralized coordination may be ineffective in adversarial environments due to sensor noise, actuation faults, or manipulation of inter-agent communication data. In this paper, we propose an algorithmic approach based on adversarial multi-agent reinforcement learning (MARL) that allows robots to efficiently coordinate their strategies in the presence of adversarial inter-agent communications. In our setup, the objective of the multi-robot team is to discover targets strategically in an obstacle-strewn geographical area by minimizing the average time needed to find the targets. It is assumed that the robots have no prior knowledge of the target locations, and they can interact with only a subset of neighboring robots at any time. Based on the centralized training with decentralized execution (CTDE) paradigm in MARL, we utilize a hierarchical meta-learning framework to learn dynamic team-coordination modalities and discover emergent team behavior under complex cooperative-competitive scenarios. The effectiveness of our approach is demonstrated on a collection of prototype grid-world environments with different specifications of benign and adversarial agents, target locations, and agent rewards.

Lukáš Novák, Himanshu Sharma, Michael D. Shields

Surrogate modeling of costly mathematical models representing physical systems is challenging since it is typically not possible to create a large experimental design. Thus, it is beneficial to constrain the approximation to adhere to the known physics of the model. This paper presents a novel methodology for the construction of physics-informed polynomial chaos expansions (PCE) that combines the conventional experimental design with additional constraints from the physics of the model. Physical constraints investigated in this paper are represented by a set of differential equations and specified boundary conditions. A computationally efficient means for construction of physically constrained PCE is proposed and compared to standard sparse PCE. It is shown that the proposed algorithms lead to superior accuracy of the approximation and does not add significant computational burden. Although the main purpose of the proposed method lies in combining data and physical constraints, we show that physically constrained PCEs can be constructed from differential equations and boundary conditions alone without requiring evaluations of the original model. We further show that the constrained PCEs can be easily applied for uncertainty quantification through analytical post-processing of a reduced PCE filtering out the influence of all deterministic space-time variables. Several deterministic examples of increasing complexity are provided and the proposed method is applied for uncertainty quantification.

Scott Counts, Yan Chen, Jing Dong et al.

M365 Copilot is used every week by millions of people across more than a million companies around the world as part of their workflows. Uniquely positioned in the AI landscape given its near-exclusive use for work purposes, M365 Copilot can offer a clear picture of how people use AI for work and where that usage may expand next. This paper characterizes that usage through direct classification of user interactions with M365 Copilot Chat. Based on an anonymized and privacy-preserving analysis of a sample of approximately 5.5 million sessions, we combine a learned classification of user intent with a classification of O*NET work activities done with M365 Copilot Chat. We find that M365 Copilot is emerging as an everyday assistant for knowledge work: writing dominates, but users also rely on it for information retrieval, analysis, decision making and strategizing, and evaluating and diagnosing programs and systems, among others. Information seeking tasks remain common, but time trends suggest a relative shift away from ``chat as search'' and toward content and communication-related work. Comparisons across occupational groupings and to work done in the labor market further show that usage is broad but uneven, where the relative share of work done with M365 Copilot Chat cuts across jobs in some cases and is occupation-specific in others. Areas of relative underrepresentation in the labor market suggest the next frontier for enterprise AI adoption.

Romit Maulik, Himanshu Sharma, Saumil Patel et al.

We outline the development of a data science module within OpenFOAM which allows for the in-situ deployment of trained deep learning architectures for general-purpose predictive tasks. This module is constructed with the TensorFlow C API and is integrated into OpenFOAM as an application that may be linked at run time. Notably, our formulation precludes any restrictions related to the type of neural network architecture (i.e., convolutional, fully-connected, etc.). This allows for potential studies of complicated neural architectures for practical CFD problems. In addition, the proposed module outlines a path towards an open-source, unified and transparent framework for computational fluid dynamics and machine learning.

Himanshu Sharma, Elise Jennings

Bayesian neural Networks (BNNs) are a promising method of obtaining statistical uncertainties for neural network predictions but with a higher computational overhead which can limit their practical usage. This work explores the use of high performance computing with distributed training to address the challenges of training BNNs at scale. We present a performance and scalability comparison of training the VGG-16 and Resnet-18 models on a Cray-XC40 cluster. We demonstrate that network pruning can speed up inference without accuracy loss and provide an open source software package, {\it{BPrune}} to automate this pruning. For certain models we find that pruning up to 80\% of the network results in only a 7.0\% loss in accuracy. With the development of new hardware accelerators for Deep Learning, BNNs are of considerable interest for benchmarking performance. This analysis of training a BNN at scale outlines the limitations and benefits compared to a conventional neural network.

George Mihaila, Suleyman Olcay Polat, Poli Nemkova et al.

Local explanation methods such as LIME (Ribeiro et al., 2016) remain fundamental to trustworthy AI, yet their application to NLP is limited by a reliance on random token masking. These heuristic perturbations frequently generate semantically invalid, out-of-distribution inputs that weaken the fidelity of local surrogate models. While recent generative approaches such as LLiMe (Angiulli et al., 2025b) attempt to mitigate this by employing Large Language Models for neighborhood generation, they rely on unconstrained paraphrasing that introduces confounding variables, making it difficult to isolate specific feature contributions. We introduce LIME-LLM, a framework that replaces random noise with hypothesis-driven, controlled perturbations. By enforcing a strict "Single Mask-Single Sample" protocol and employing distinct neutral infill and boundary infill strategies, LIME-LLM constructs fluent, on-manifold neighborhoods that rigorously isolate feature effects. We evaluate our method against established baselines (LIME, SHAP, Integrated Gradients) and the generative LLiMe baseline across three diverse benchmarks: CoLA, SST-2, and HateXplain using human-annotated rationales as ground truth. Empirical results demonstrate that LIME-LLM establishes a new benchmark for black-box NLP explainability, achieving significant improvements in local explanation fidelity compared to both traditional perturbation-based methods and recent generative alternatives.

Qitian Lu, Himanshu Sharma, Michael D. Shields et al.

Physics-informed polynomial chaos expansions (PC$^2$) provide an efficient physically constrained surrogate modeling framework by embedding governing equations and other physical constraints into the standard data-driven polynomial chaos expansions (PCE) and solving via the Karush-Kuhn-Tucker (KKT) conditions. This approach improves the physical interpretability of surrogate models while achieving high computational efficiency and accuracy. However, the performance and efficiency of PC$^2$ can still be degraded with high-dimensional parameter spaces, limited data availability, or unrepresentative training data. To address this problem, this study explores two complementary enhancements to the PC$^2$ framework. First, a numerically efficient constrained optimization solver, straightforward updating of Lagrange multipliers (SULM), is adopted as an alternative to the conventional KKT solver. The SULM method significantly reduces computational cost when solving physically constrained problems with high-dimensionality and derivative boundary conditions that require a large number of virtual points. Second, a D-optimal sampling strategy is utilized to select informative virtual points to improve the stability and achieve the balance of accuracy and efficiency of the PC$^2$. The proposed methods are integrated into the PC$^2$ framework and evaluated through numerical examples of representative physical systems governed by ordinary or partial differential equations. The results demonstrate that the enhanced PC$^2$ has better comprehensive capability than standard PC$^2$, and is well-suited for high-dimensional uncertainty quantification tasks.

Himanshu Sharma, Lukáš Novák, Michael D. Shields

We present a novel physics-constrained polynomial chaos expansion as a surrogate modeling method capable of performing both scientific machine learning (SciML) and uncertainty quantification (UQ) tasks. The proposed method possesses a unique capability: it seamlessly integrates SciML into UQ and vice versa, which allows it to quantify the uncertainties in SciML tasks effectively and leverage SciML for improved uncertainty assessment during UQ-related tasks. The proposed surrogate model can effectively incorporate a variety of physical constraints, such as governing partial differential equations (PDEs) with associated initial and boundary conditions constraints, inequality-type constraints (e.g., monotonicity, convexity, non-negativity, among others), and additional a priori information in the training process to supplement limited data. This ensures physically realistic predictions and significantly reduces the need for expensive computational model evaluations to train the surrogate model. Furthermore, the proposed method has a built-in uncertainty quantification (UQ) feature to efficiently estimate output uncertainties. To demonstrate the effectiveness of the proposed method, we apply it to a diverse set of problems, including linear/non-linear PDEs with deterministic and stochastic parameters, data-driven surrogate modeling of a complex physical system, and UQ of a stochastic system with parameters modeled as random fields.

Himanshu Sharma, Lukáš Novák, Michael D. Shields

Operator learning (OL) has emerged as a powerful tool in scientific machine learning (SciML) for approximating mappings between infinite-dimensional functional spaces. One of its main applications is learning the solution operator of partial differential equations (PDEs). While much of the progress in this area has been driven by deep neural network-based approaches such as Deep Operator Networks (DeepONet) and Fourier Neural Operator (FNO), recent work has begun to explore traditional machine learning methods for OL. In this work, we introduce polynomial chaos expansion (PCE) as an OL method. PCE has been widely used for uncertainty quantification (UQ) and has recently gained attention in the context of SciML. For OL, we establish a mathematical framework that enables PCE to approximate operators in both purely data-driven and physics-informed settings. The proposed framework reduces the task of learning the operator to solving a system of equations for the PCE coefficients. Moreover, the framework provides UQ by simply post-processing the PCE coefficients, without any additional computational cost. We apply the proposed method to a diverse set of PDE problems to demonstrate its capabilities. Numerical results demonstrate the strong performance of the proposed method in both OL and UQ tasks, achieving excellent numerical accuracy and computational efficiency.

James Kotary, Himanshu Sharma, Ethan King et al.

Learning to Optimize (L2O) is a subfield of machine learning (ML) in which ML models are trained to solve parametric optimization problems. The general goal is to learn a fast approximator of solutions to constrained optimization problems, as a function of their defining parameters. Prior L2O methods focus almost entirely on single-level programs, in contrast to the bilevel programs, whose constraints are themselves expressed in terms of optimization subproblems. Bilevel programs have numerous important use cases but are notoriously difficult to solve, particularly under stringent time demands. This paper proposes a framework for learning to solve a broad class of challenging bilevel optimization problems, by leveraging modern techniques for differentiation through optimization problems. The framework is illustrated on an array of synthetic bilevel programs, as well as challenging control system co-design problems, showing how neural networks can be trained as efficient approximators of parametric bilevel optimization.

James Koch, Madelyn Shapiro, Himanshu Sharma et al.

Differential algebraic equations (DAEs) describe the temporal evolution of systems that obey both differential and algebraic constraints. Of particular interest are systems that contain implicit relationships between their components, such as conservation laws. Here, we present an Operator Splitting (OS) numerical integration scheme for learning unknown components of DAEs from time-series data. In this work, we show that the proposed OS-based time-stepping scheme is suitable for relevant system-theoretic data-driven modeling tasks. Presented examples include (i) the inverse problem of tank-manifold dynamics and (ii) discrepancy modeling of a network of pumps, tanks, and pipes. Our experiments demonstrate the proposed method's robustness to noise and extrapolation ability to (i) learn the behaviors of the system components and their interaction physics and (ii) disambiguate between data trends and mechanistic relationships contained in the system.

David Cole, Himanshu Sharma, Wei Wang

We propose a framework for applying reinforcement learning to contextual two-stage stochastic optimization and apply this framework to the problem of energy market bidding of an off-shore wind farm. Reinforcement learning could potentially be used to learn close to optimal solutions for first stage variables of a two-stage stochastic program under different contexts. Under the proposed framework, these solutions would be learned without having to solve the full two-stage stochastic program. We present initial results of training using the DDPG algorithm and present intended future steps to improve performance.

Soumya Kundu, Saptarshi Bhattacharya, Himanshu Sharma et al.

This report documents recent technical work on developing and validating stochastic occupancy models in commercial buildings, performed by the Pacific Northwest National Laboratory (PNNL) as part of the Sensor Impact Evaluation and Verification project under the U.S. Department of Energy (DOE) Building Technologies Office (BTO). In this report, we present our work on developing and validating inhomogeneous semi-Markov chain models for generating sequences of zone-level occupancy presence and occupancy counts in a commercial building. Real datasets are used to learn and validate the generative occupancy models. Relevant metrics such as normalized Jensen-Shannon distance (NJSD) are used to demonstrate the ability of the models to express realistic occupancy behavioral patterns.

Rohan Pandey, Vaibhav Gautam, Ridam Pal et al.

Background: The COVID-19 pandemic has uncovered the potential of digital misinformation in shaping the health of nations. The deluge of unverified information that spreads faster than the epidemic itself is an unprecedented phenomenon that has put millions of lives in danger. Mitigating this Infodemic requires strong health messaging systems that are engaging, vernacular, scalable, effective and continuously learn the new patterns of misinformation. Objective: We created WashKaro, a multi-pronged intervention for mitigating misinformation through conversational AI, machine translation and natural language processing. WashKaro provides the right information matched against WHO guidelines through AI, and delivers it in the right format in local languages. Methods: We theorize (i) an NLP based AI engine that could continuously incorporate user feedback to improve relevance of information, (ii) bite sized audio in the local language to improve penetrance in a country with skewed gender literacy ratios, and (iii) conversational but interactive AI engagement with users towards an increased health awareness in the community. Results: A total of 5026 people who downloaded the app during the study window, among those 1545 were active users. Our study shows that 3.4 times more females engaged with the App in Hindi as compared to males, the relevance of AI-filtered news content doubled within 45 days of continuous machine learning, and the prudence of integrated AI chatbot Satya increased thus proving the usefulness of an mHealth platform to mitigate health misinformation. Conclusion: We conclude that a multi-pronged machine learning application delivering vernacular bite-sized audios and conversational AI is an effective approach to mitigate health misinformation.

Francis Tom, Himanshu Sharma, Dheeraj Mundhra et al.

Adversarially trained deep neural networks have significantly improved performance of single image super resolution, by hallucinating photorealistic local textures, thereby greatly reducing the perception difference between a real high resolution image and its super resolved (SR) counterpart. However, application to medical imaging requires preservation of diagnostically relevant features while refraining from introducing any diagnostically confusing artifacts. We propose using a deep convolutional super resolution network (SRNet) trained for (i) minimising reconstruction loss between the real and SR images, and (ii) maximally confusing learned relativistic visual Turing test (rVTT) networks to discriminate between (a) pair of real and SR images (T1) and (b) pair of patches in real and SR selected from region of interest (T2). The adversarial loss of T1 and T2 while backpropagated through SRNet helps it learn to reconstruct pathorealism in the regions of interest such as white blood cells (WBC) in peripheral blood smears or epithelial cells in histopathology of cancerous biopsy tissues, which are experimentally demonstrated here. Experiments performed for measuring signal distortion loss using peak signal to noise ratio (pSNR) and structural similarity (SSIM) with variation of SR scale factors, impact of rVTT adversarial losses, and impact on reporting using SR on a commercially available artificial intelligence (AI) digital pathology system substantiate our claims.

Himanshu Sharma, Chengsheng Mao, Yizhen Zhang et al.

This paper presents a portable phenotyping system that is capable of integrating both rule-based and statistical machine learning based approaches. Our system utilizes UMLS to extract clinically relevant features from the unstructured text and then facilitates portability across different institutions and data systems by incorporating OHDSI's OMOP Common Data Model (CDM) to standardize necessary data elements. Our system can also store the key components of rule-based systems (e.g., regular expression matches) in the format of OMOP CDM, thus enabling the reuse, adaptation and extension of many existing rule-based clinical NLP systems. We experimented with our system on the corpus from i2b2's Obesity Challenge as a pilot study. Our system facilitates portable phenotyping of obesity and its 15 comorbidities based on the unstructured patient discharge summaries, while achieving a performance that often ranked among the top 10 of the challenge participants. This standardization enables a consistent application of numerous rule-based and machine learning based classification techniques downstream.