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Yexiang Xue

Yexiang Xue appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

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Artificial Intelligence Machine Learning Computer Vision Computational Complexity cond-mat.mtrl-sci Data Structures and Algorithms Graphics Information Retrieval Logic in Computer Science

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preprint2026arXiv

Enforcing Constraints in Generative Sampling via Adaptive Correction Scheduling

Hard constraints in generative sampling are typically enforced by projection, applied either once at the end of sampling or after every update. This binary framing overlooks a fundamental issue: projection changes the distribution of states which future updates depend on. As a result, delayed projection can produce samples that are feasible but inconsistent with the intended sampling dynamics, even after final projection. We formalize constraint enforcement as a correction scheduling problem over the generative rollout. Using one-step constraint defect as a local signal of geometric mismatch, we introduce adaptive correction scheduling, a state-dependent policy that allocates projection budget to the steps that most strongly perturb the trajectory. Terminal and stepwise projection arise as limiting cases of this family. Across controlled manifold rollouts and a learned projected diffusion sampler, adaptive scheduling improves the cost-accuracy frontier at matched projection budgets, recovering 71.2% of full stepwise benefit with 75% fewer corrections. These results show that constraint timing is a first-class design variable in generative sampling, and that enforcing feasibility alone is insufficient to preserve the intended constrained sampling dynamics.

preprint2026arXiv

PG-3DGS: Optimizing 3D Gaussian Splatting to Satisfy Physics Objectives

Recent advances in Gaussian Splatting have enabled fast, high-fidelity 3D scene generation, yet these methods remain purely visual and lack an understanding of how shapes behave in the physical world. We introduce Physics-Guided 3D Gaussian Splatting (PG-3DGS), a framework that couples differentiable physics simulation with 3D Gaussian representations to generate 3D structures satisfying physics functionalities. By allowing physical objectives to guide the shape optimization process alongside visual losses, our approach produces geometries that are not only photometrically accurate but also physically functional. The model learns to adjust shapes so that the generated objects exhibit physically meaningful behaviors, for example, teapots that can pour and airplanes that can generate lift, without sacrificing visual quality. Experiments on pouring and aerodynamic lift tasks show that PG-3DGS improves physical functionality while preserving visual quality. In addition to simulation gains, bench-top physical lift tests with 3D-printed aircraft (Cessna, B-2 Spirit, and paper plane) under identical airflow conditions show higher scale-measured lift for PG-3DGS, generated structures than an appearance-matching baseline in all three cases. Our unified framework connects appearance-based reconstruction with physics-based reasoning, enabling end-to-end generation of 3D structures that both look realistic and function correctly.

preprint2026arXiv

Zero-shot Imitation Learning by Latent Topology Mapping

Imitation learning is effective for training agents when expert demonstrations are available, but collecting demonstrations for every complex task in an environment is costly. We study the long-horizon, goal-conditioned setting where a fixed demonstration dataset contains useful behavior, but not complete examples for every task the agent must solve. Existing imitation learning methods can learn strong policies from demonstrations, but when solving long-horizon tasks, small errors accumulate over long primitive-action trajectories and make zero-shot adaptation to new tasks unreliable. We introduce Zero-shot Agents from Latent Topologies (ZALT), an imitation-learning method that solves unseen start-goal tasks beyond those demonstrated during training. ZALT identifies latent hub states where trajectories converge or diverge, learns policies and a dynamics model over hub-to-hub transitions, and plans over the hub topology to complete new tasks. This topology makes demonstrated behaviors explicitly composable while compressing long tasks into shorter sequences of abstract transitions -- combined, these enable ZALT to perform zero-shot adaptation. In a complex 3D maze environment, ZALT achieves 55% zero-shot success on unseen tasks, compared to 6% for the strongest baseline.

preprint2023arXiv

Human-centered XAI for Burn Depth Characterization

Approximately 1.25 million people in the United States are treated each year for burn injuries. Precise burn injury classification is an important aspect of the medical AI field. In this work, we propose an explainable human-in-the-loop framework for improving burn ultrasound classification models. Our framework leverages an explanation system based on the LIME classification explainer to corroborate and integrate a burn expert's knowledge -- suggesting new features and ensuring the validity of the model. Using this framework, we discover that B-mode ultrasound classifiers can be enhanced by supplying textural features. More specifically, we confirm that texture features based on the Gray Level Co-occurance Matrix (GLCM) of ultrasound frames can increase the accuracy of transfer learned burn depth classifiers. We test our hypothesis on real data from porcine subjects. We show improvements in the accuracy of burn depth classification -- from ~88% to ~94% -- once modified according to our framework.

preprint2023arXiv

Solving Satisfiability Modulo Counting for Symbolic and Statistical AI Integration With Provable Guarantees

Satisfiability Modulo Counting (SMC) encompasses problems that require both symbolic decision-making and statistical reasoning. Its general formulation captures many real-world problems at the intersection of symbolic and statistical Artificial Intelligence. SMC searches for policy interventions to control probabilistic outcomes. Solving SMC is challenging because of its highly intractable nature($\text{NP}^{\text{PP}}$-complete), incorporating statistical inference and symbolic reasoning. Previous research on SMC solving lacks provable guarantees and/or suffers from sub-optimal empirical performance, especially when combinatorial constraints are present. We propose XOR-SMC, a polynomial algorithm with access to NP-oracles, to solve highly intractable SMC problems with constant approximation guarantees. XOR-SMC transforms the highly intractable SMC into satisfiability problems, by replacing the model counting in SMC with SAT formulae subject to randomized XOR constraints. Experiments on solving important SMC problems in AI for social good demonstrate that XOR-SMC finds solutions close to the true optimum, outperforming several baselines which struggle to find good approximations for the intractable model counting in SMC.

preprint2022arXiv

Bootstrap State Representation using Style Transfer for Better Generalization in Deep Reinforcement Learning

Deep Reinforcement Learning (RL) agents often overfit the training environment, leading to poor generalization performance. In this paper, we propose Thinker, a bootstrapping method to remove adversarial effects of confounding features from the observation in an unsupervised way, and thus, it improves RL agents' generalization. Thinker first clusters experience trajectories into several clusters. These trajectories are then bootstrapped by applying a style transfer generator, which translates the trajectories from one cluster's style to another while maintaining the content of the observations. The bootstrapped trajectories are then used for policy learning. Thinker has wide applicability among many RL settings. Experimental results reveal that Thinker leads to better generalization capability in the Procgen benchmark environments compared to base algorithms and several data augmentation techniques.

preprint2022arXiv

On the Value of Behavioral Representations for Dense Retrieval

We consider text retrieval within dense representational space in real-world settings such as e-commerce search where (a) document popularity and (b) diversity of queries associated with a document have a skewed distribution. Most of the contemporary dense retrieval literature presents two shortcomings in these settings. (1) They learn an almost equal number of representations per document, agnostic to the fact that a few head documents are disproportionately more critical to achieving a good retrieval performance. (ii) They learn purely semantic document representations inferred from intrinsic document characteristics which may not contain adequate information to determine the queries for which the document is relevant--especially when the document is short. We propose to overcome these limitations by augmenting semantic document representations learned by bi-encoders with behavioral document representations learned by our proposed approach MVG. To do so, MVG (1) determines how to divide the total budget for behavioral representations by drawing a connection to the Pitman-Yor process, and (2) simply clusters the queries related to a given document (based on user behavior) within the representational space learned by a base bi-encoder, and treats the cluster centers as its behavioral representations. Our central contribution is the finding such a simple intuitive light-weight approach leads to substantial gains in key first-stage retrieval metrics by incurring only a marginal memory overhead. We establish this via extensive experiments over three large public datasets comparing several single-vector and multi-vector bi-encoders, a proprietary e-commerce search dataset compared to production-quality bi-encoder, and an A/B test.

preprint2020arXiv

Towards Efficient Discrete Integration via Adaptive Quantile Queries

Discrete integration in a high dimensional space of n variables poses fundamental challenges. The WISH algorithm reduces the intractable discrete integration problem into n optimization queries subject to randomized constraints, obtaining a constant approximation guarantee. The optimization queries are expensive, which limits the applicability of WISH. We propose AdaWISH, which is able to obtain the same guarantee but accesses only a small subset of queries of WISH. For example, when the number of function values is bounded by a constant, AdaWISH issues only O(log n) queries. The key idea is to query adaptively, taking advantage of the shape of the weight function being integrated. In general, we prove that AdaWISH has a regret of only O(log n) relative to an idealistic oracle that issues queries at data-dependent optimal points. Experimentally, AdaWISH gives precise estimates for discrete integration problems, of the same quality as that of WISH and better than several competing approaches, on a variety of probabilistic inference benchmarks. At the same time, it saves substantially on the number of optimization queries compared to WISH. On a suite of UAI inference challenge benchmarks, it saves 81.5% of WISH queries while retaining the quality of results.

preprint2016arXiv

Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V-Mn-Nb Oxide System

Rapid construction of phase diagrams is a central tenet of combinatorial materials science with accelerated materials discovery efforts often hampered by challenges in interpreting combinatorial x-ray diffraction datasets, which we address by developing AgileFD, an artificial intelligence algorithm that enables rapid phase mapping from a combinatorial library of x-ray diffraction patterns. AgileFD models alloying-based peak shifting through a novel expansion of convolutional nonnegative matrix factorization, which not only improves the identification of constituent phases but also maps their concentration and lattice parameter as a function of composition. By incorporating Gibbs phase rule into the algorithm, physically meaningful phase maps are obtained with unsupervised operation, and more refined solutions are attained by injecting expert knowledge of the system. The algorithm is demonstrated through investigation of the V-Mn-Nb oxide system where decomposition of eight oxide phases, including two with substantial alloying, provides the first phase map for this pseudo-ternary system. This phase map enables interpretation of high-throughput band gap data, leading to the discovery of new solar light absorbers and the alloying-based tuning of the direct-allowed band-gap energy of MnV2O6. The open-source family of AgileFD algorithms can be implemented into a broad range of high throughput workflows to accelerate materials discovery.

preprint2016arXiv

Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery

High-Throughput materials discovery involves the rapid synthesis, measurement, and characterization of many different but structurally-related materials. A key problem in materials discovery, the phase map identification problem, involves the determination of the crystal phase diagram from the materials' composition and structural characterization data. We present Phase-Mapper, a novel AI platform to solve the phase map identification problem that allows humans to interact with both the data and products of AI algorithms, including the incorporation of human feedback to constrain or initialize solutions. Phase-Mapper affords incorporation of any spectral demixing algorithm, including our novel solver, AgileFD, which is based on a convolutive non-negative matrix factorization algorithm. AgileFD can incorporate constraints to capture the physics of the materials as well as human feedback. We compare three solver variants with previously proposed methods in a large-scale experiment involving 20 synthetic systems, demonstrating the efficacy of imposing physical constrains using AgileFD. Phase-Mapper has also been used by materials scientists to solve a wide variety of phase diagrams, including the previously unsolved Nb-Mn-V oxide system, which is provided here as an illustrative example.

preprint2016arXiv

Solving Marginal MAP Problems with NP Oracles and Parity Constraints

Arising from many applications at the intersection of decision making and machine learning, Marginal Maximum A Posteriori (Marginal MAP) Problems unify the two main classes of inference, namely maximization (optimization) and marginal inference (counting), and are believed to have higher complexity than both of them. We propose XOR_MMAP, a novel approach to solve the Marginal MAP Problem, which represents the intractable counting subproblem with queries to NP oracles, subject to additional parity constraints. XOR_MMAP provides a constant factor approximation to the Marginal MAP Problem, by encoding it as a single optimization in polynomial size of the original problem. We evaluate our approach in several machine learning and decision making applications, and show that our approach outperforms several state-of-the-art Marginal MAP solvers.

preprint2016arXiv

Variable Elimination in the Fourier Domain

The ability to represent complex high dimensional probability distributions in a compact form is one of the key insights in the field of graphical models. Factored representations are ubiquitous in machine learning and lead to major computational advantages. We explore a different type of compact representation based on discrete Fourier representations, complementing the classical approach based on conditional independencies. We show that a large class of probabilistic graphical models have a compact Fourier representation. This theoretical result opens up an entirely new way of approximating a probability distribution. We demonstrate the significance of this approach by applying it to the variable elimination algorithm. Compared with the traditional bucket representation and other approximate inference algorithms, we obtain significant improvements.

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