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Published work

10 published item(s)

preprint2026arXiv

Dimension-Free Convergence of Discrete Diffusion Models: Adjoint Equations Induce the Right Space

Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the state space size $S$ and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes dimension-free convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of $S$ and applicable to both masked and uniform priors. Importantly, our theory relies only on a single standard rate-matrix regularity assumption and is compatible with time-inhomogeneous schedules. Four novel techniques drive our improvements: working in the space of observables via adjoint equations rather than directly with probability measures, a regularity analysis that yields bounds on any IPM, a coupling argument that removes $S$-dependence under uniform transitions, and a score-marginal cancellation technique that removes $S$-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models.

preprint2026arXiv

ISOMORPH: A Supply Chain Digital Twin for Simulation, Dataset Generation, and Forecasting Benchmarks

Open time-series forecasting (TSF) benchmarks cover retail, energy, weather, and traffic, but supply-chain logistics remains underserved. We introduce ISOMORPH, the first public digital twin of a multi-echelon logistics network with fully interpretable, user-configurable parameters and modular topology, demand process, and control rules. The simulator advances a directed routing graph in discrete time: demand arrives at the destination, is served from stock or recorded as backlog, and triggers replenishment through the network. The state vector tracks per-node on-hand inventory with outstanding orders, in-transit shipments, and a smoothed demand estimate, so the dynamics close as a Markov chain on a tractable state space whose transition kernel acts linearly on the empirical distribution of the state. The released data reproduces the bullwhip effect at empirically consistent magnitudes, and three conservation laws encoded in the Markov chain serve as verification tools when users extend the simulator. We release datasets at two catalogue scales ($C=50$ and $C=200$) with six scenario sweeps producing 30 additional rollouts and 20 Latin-hypercube perturbations, exhibiting dynamics absent from fixed TSF benchmarks: variance amplification, cascading bottlenecks, regime shifts, and cross-channel coupling through shared macro shocks. Zero-shot evaluation of four foundation models (Chronos, Moirai, TimesFM, Lag-Llama) shows MASE values exceeding public GIFT-Eval references at low-to-moderate horizons, supporting incorporation into existing benchmarks. The same pairing produces forecast confidence bands via Latin-hypercube perturbation of demand-side knobs, forward UQ from parameter uncertainty unavailable on standard TSF datasets, demonstrating that foundation models can serve as fast surrogates for the digital twin's forward UQ. Code (MIT): https://github.com/tuhinsahai/ISOMORPH.

preprint2022arXiv

A Koopman framework for rare event simulation in stochastic differential equations

We exploit the relationship between the stochastic Koopman operator and the Kolmogorov backward equation to construct importance sampling schemes for stochastic differential equations. Specifically, we propose using eigenfunctions of the stochastic Koopman operator to approximate the Doob transform for an observable of interest (e.g., associated with a rare event) which in turn yields an approximation of the corresponding zero-variance importance sampling estimator. Our approach is broadly applicable and systematic, treating non-normal systems, non-gradient systems, and systems with oscillatory dynamics or rank-deficient noise in a common framework. In nonlinear settings where the stochastic Koopman eigenfunctions cannot be derived analytically, we use dynamic mode decomposition (DMD) methods to compute them numerically, but the framework is agnostic to the particular numerical method employed. Numerical experiments demonstrate that even coarse approximations of a few eigenfunctions, where the latter are built from non-rare trajectories, can produce effective importance sampling schemes for rare events.

preprint2020arXiv

Dynamical Systems Theory and Algorithms for NP-hard Problems

This article surveys the burgeoning area at the intersection of dynamical systems theory and algorithms for NP-hard problems. Traditionally, computational complexity and the analysis of non-deterministic polynomial-time (NP)-hard problems have fallen under the purview of computer science and discrete optimization. However, over the past few years, dynamical systems theory has increasingly been used to construct new algorithms and shed light on the hardness of problem instances. We survey a range of examples that illustrate the use of dynamical systems theory in the context of computational complexity analysis and novel algorithm construction. In particular, we summarize a) a novel approach for clustering graphs using the wave equation partial differential equation, b) invariant manifold computations for the traveling salesman problem, c) novel approaches for building quantum networks of Duffing oscillators to solve the MAX-CUT problem, d) applications of the Koopman operator for analyzing optimization algorithms, and e) the use of dynamical systems theory to analyze computational complexity.

preprint2020arXiv

Post Quantum Secure Command and Control of Mobile Agents : Inserting quantum-resistant encryption schemes in the Secure Robot Operating System

The secure command and control (C&C) of mobile agents arises in various settings including unmanned aerial vehicles, single pilot operations in commercial settings, and mobile robots to name a few. As more and more of these applications get integrated into aerospace and defense use cases, the security of the communication channel between the ground station and the mobile agent is of increasing importance. The development of quantum computing devices poses a unique threat to secure communications due to the vulnerability of asymmetric ciphers to Shor's algorithm. Given the active development of new quantum resistant encryption techniques, we report the first integration of post-quantum secure encryption schemes with the robot operating system (ROS) and C&C of mobile agents, in general. We integrate these schemes in the application and network layers, and study the performance of these methods by comparing them to present day security schemes such as the widely used RSA algorithm.

preprint2020arXiv

Stochastic Optimization using Polynomial Chaos Expansions

Polynomial chaos based methods enable the efficient computation of output variability in the presence of input uncertainty in complex models. Consequently, they have been used extensively for propagating uncertainty through a wide variety of physical systems. These methods have also been employed to build surrogate models for accelerating inverse uncertainty quantification (infer model parameters from data) and construct transport maps. In this work, we explore the use of polynomial chaos based approaches for optimizing functions in the presence of uncertainty. These methods enable the fast propagation of uncertainty through smooth systems. If the dimensionality of the random parameters is low, these methods provide orders of magnitude acceleration over Monte Carlo sampling. We construct a generalized polynomial chaos based methodology for optimizing smooth functions in the presence of random parameters that are drawn from \emph{known} distributions. By expanding the optimization variables using orthogonal polynomials, the stochastic optimization problem reduces to a deterministic one that provides estimates for all moments of the output distribution. Thus, this approach enables one to avoid computationally expensive random sampling based approaches such as Monte Carlo and Quasi-Monte Carlo. In this work, we develop the overall framework, derive error bounds, construct the framework for the inclusion of constraints, analyze various properties of the approach, and demonstrate the proposed technique on illustrative examples.

preprint2012arXiv

A Traveling Salesman Learns Bayesian Networks

Structure learning of Bayesian networks is an important problem that arises in numerous machine learning applications. In this work, we present a novel approach for learning the structure of Bayesian networks using the solution of an appropriately constructed traveling salesman problem. In our approach, one computes an optimal ordering (partially ordered set) of random variables using methods for the traveling salesman problem. This ordering significantly reduces the search space for the subsequent greedy optimization that computes the final structure of the Bayesian network. We demonstrate our approach of learning Bayesian networks on real world census and weather datasets. In both cases, we demonstrate that the approach very accurately captures dependencies between random variables. We check the accuracy of the predictions based on independent studies in both application domains.

preprint2012arXiv

Mapping and Reducing the Brain on the Cloud

The emergence of cloud computing has enabled an incredible growth in available hardware resources at very low costs. These resources are being increasingly utilized by corporations for scalable analysis of "big data" problems. In this work, we explore the possibility of using commodity hardware such as Amazon EC2 for performing large scale scientific computation. In particular, we simulate interconnected cortical neurons using MapReduce. We build and model a network of 1000 spiking cortical neurons in Hadoop, an opensource implementation of MapReduce, and present results.

preprint2011arXiv

Iterative Methods for Scalable Uncertainty Quantification in Complex Networks

In this paper we address the problem of uncertainty management for robust design, and verification of large dynamic networks whose performance is affected by an equally large number of uncertain parameters. Many such networks (e.g. power, thermal and communication networks) are often composed of weakly interacting subnetworks. We propose intrusive and non-intrusive iterative schemes that exploit such weak interconnections to overcome dimensionality curse associated with traditional uncertainty quantification methods (e.g. generalized Polynomial Chaos, Probabilistic Collocation) and accelerate uncertainty propagation in systems with large number of uncertain parameters. This approach relies on integrating graph theoretic methods and waveform relaxation with generalized Polynomial Chaos, and Probabilistic Collocation, rendering these techniques scalable. We analyze convergence properties of this scheme and illustrate it on several examples.

preprint2011arXiv

Scalable Approach to Uncertainty Quantification and Robust Design of Interconnected Dynamical Systems

Development of robust dynamical systems and networks such as autonomous aircraft systems capable of accomplishing complex missions faces challenges due to the dynamically evolving uncertainties coming from model uncertainties, necessity to operate in a hostile cluttered urban environment, and the distributed and dynamic nature of the communication and computation resources. Model-based robust design is difficult because of the complexity of the hybrid dynamic models including continuous vehicle dynamics, the discrete models of computations and communications, and the size of the problem. We will overview recent advances in methodology and tools to model, analyze, and design robust autonomous aerospace systems operating in uncertain environment, with stress on efficient uncertainty quantification and robust design using the case studies of the mission including model-based target tracking and search, and trajectory planning in uncertain urban environment. To show that the methodology is generally applicable to uncertain dynamical systems, we will also show examples of application of the new methods to efficient uncertainty quantification of energy usage in buildings, and stability assessment of interconnected power networks.