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Yexiang Xue

Publications and source records attributed to Yexiang Xue.

At least 19 recordsLinked to original sources

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.

cs.LG

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.

cs.CV

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.

cs.LG

Approximating Pareto Frontiers in Stochastic Multi-Objective Optimization via Hashing and Randomization

Stochastic Multi-Objective Optimization (SMOO) is critical for decision-making trading off multiple potentially conflicting objectives in uncertain environments. SMOO aims at identifying the Pareto frontier, which contains all mutually non-dominating decisions. The problem is highly intractable due to the embedded probabilistic inference, such as computing the marginal, posterior probabilities, or expectations. Existing methods, such as scalarization, sample average approximation, and evolutionary algorithms, either offer arbitrarily loose approximations or may incur prohibitive computational costs. We propose XOR-SMOO, a novel algorithm that with probability $1-δ$, obtains $γ$-approximate Pareto frontiers ($γ>1$) for SMOO by querying an SAT oracle poly-log times in $γ$ and $δ$. A $γ$-approximate Pareto frontier is only below the true frontier by a fixed, multiplicative factor $γ$. Thus, XOR-SMOO solves highly intractable SMOO problems (\#P-hard) with only queries to SAT oracles while obtaining tight, constant factor approximation guarantees. Experiments on real-world road network strengthening and supply chain design problems demonstrate that XOR-SMOO outperforms several baselines in identifying Pareto frontiers that have higher objective values, better coverage of the optimal solutions, and the solutions found are more evenly distributed. Overall, XOR-SMOO significantly enhanced the practicality and reliability of SMOO solvers.

cs.LG

A Multi-Agent Human-LLM Collaborative Framework for Closed-Loop Scientific Literature Summarization

Scientific discovery is slowed by fragmented literature that requires excessive human effort to gather, analyze, and understand. AI tools, including autonomous summarization and question answering, have been developed to aid in understanding scientific literature. However, these tools lack the structured, multi-step approach necessary for extracting deep insights from scientific literature. Large Language Models (LLMs) offer new possibilities for literature analysis, but remain unreliable due to hallucinations and incomplete extraction. We introduce Elhuyar, a multi-agent, human-in-the-loop system that integrates LLMs, structured AI, and human scientists to extract, analyze, and iteratively refine insights from scientific literature. The framework distributes tasks among specialized agents for filtering papers, extracting data, fitting models, and summarizing findings, with human oversight ensuring reliability. The system generates structured reports with extracted data, visualizations, model equations, and text summaries, enabling deeper inquiry through iterative refinement. Deployed in materials science, it analyzed literature on tungsten under helium-ion irradiation, showing experimentally correlated exponential helium bubble growth with irradiation dose and temperature, offering insight for plasma-facing materials (PFMs) in fusion reactors. This demonstrates how AI-assisted literature review can uncover scientific patterns and accelerate discovery.

cs.AI

Reducing Hallucinations in LLM-based Scientific Literature Analysis Using Peer Context Outlier Detection

Reducing hallucinations in Large Language Models (LLMs) is essential for accurate data extraction from large text corpora. Current methods, like prompt engineering and chain-of-thought prompting, focus on individual documents and fail to consider relationships across a corpus. This paper introduces Peer Context Outlier Detection (P-COD), which uses inter-document relationships to improve extraction accuracy in scientific literature summarization, where papers with similar experiment settings should draw similar conclusions. By comparing extracted data to validated peer information within the corpus, we adjust confidence scores and flag low-confidence results for expert review. Our experiments demonstrate up to 98% precision in outlier detection across 6 scientific domains, reducing hallucinations and letting researchers focus on genuinely ambiguous cases.

cs.AI

EGG-SR: Embedding Symbolic Equivalence into Symbolic Regression via Equality Graph

Symbolic regression seeks to uncover physical laws from experimental data by searching for closed-form expressions, which is an important task in AI-driven scientific discovery. Yet the exponential growth of the search space of expression renders the task computationally challenging. A promising yet underexplored direction for reducing the search space and accelerating training lies in *symbolic equivalence*: many expressions, although syntactically different, define the same function -- for example, $\log(x_1^2x_2^3)$, $\log(x_1^2)+\log(x_2^3)$, and $2\log(x_1)+3\log(x_2)$. Existing algorithms treat such variants as distinct outputs, leading to redundant exploration and slow learning. We introduce EGG-SR, a unified framework that integrates symbolic equivalence into a class of modern symbolic regression methods, including Monte Carlo Tree Search (MCTS), Deep Reinforcement Learning (DRL), and Large Language Models (LLMs). EGG-SR compactly represents equivalent expressions through the proposed EGG module (via equality graphs), accelerating learning by: (1) pruning redundant subtree exploration in EGG-MCTS, (2) aggregating rewards across equivalent generated sequences in EGG-DRL, and (3) enriching feedback prompts in EGG-LLM. Theoretically, we show the benefit of embedding EGG into learning: it tightens the regret bound of MCTS and reduces the variance of the DRL gradient estimator. Empirically, EGG-SR consistently enhances a class of symbolic regression models across several benchmarks, discovering more accurate expressions within the same time limit. Project page is at: https://nan-jiang-group.github.io/egg-sr.

cs.SC

Hypothesis Network Planned Exploration for Rapid Meta-Reinforcement Learning Adaptation

Meta-Reinforcement Learning (Meta-RL) learns optimal policies across a series of related tasks. A central challenge in Meta-RL is rapidly identifying which previously learned task is most similar to a new one, in order to adapt to it quickly. Prior approaches, despite significant success, typically rely on passive exploration strategies such as periods of random action to characterize the new task in relation to the learned ones. While sufficient when tasks are clearly distinguishable, passive exploration limits adaptation speed when informative transitions are rare or revealed only by specific behaviors. We introduce Hypothesis-Planned Exploration (HyPE), a method that actively plans sequences of actions during adaptation to efficiently identify the most similar previously learned task. HyPE operates within a joint latent space, where state-action transitions from different tasks form distinct paths. This latent-space planning approach enables HyPE to serve as a drop-in improvement for most model-based Meta-RL algorithms. By using planned exploration, HyPE achieves exponentially lower failure probability compared to passive strategies when informative transitions are sparse. On a natural language Alchemy game, HyPE identified the closest task in 65-75% of trials, far outperforming the 18-28% passive exploration baseline, and yielding up to 4x more successful adaptations under the same sample budget.

cs.AI

Solving Satisfiability Modulo Counting Exactly with Probabilistic Circuits

Satisfiability Modulo Counting (SMC) is a recently proposed general language to reason about problems integrating statistical and symbolic Artificial Intelligence. An SMC problem is an extended SAT problem in which the truth values of a few Boolean variables are determined by probabilistic inference. Approximate solvers may return solutions that violate constraints. Directly integrating available SAT solvers and probabilistic inference solvers gives exact solutions but results in slow performance because of many back-and-forth invocations of both solvers. We propose KOCO-SMC, an integrated exact SMC solver that efficiently tracks lower and upper bounds in the probabilistic inference process. It enhances computational efficiency by enabling early estimation of probabilistic inference using only partial variable assignments, whereas existing methods require full variable assignments. In the experiment, we compare KOCO-SMC with currently available approximate and exact SMC solvers on large-scale datasets and real-world applications. The proposed KOCO-SMC finds exact solutions with much less time.

cs.AI

CALM: Contextual Analog Logic with Multimodality

In this work, we introduce Contextual Analog Logic with Multimodality (CALM). CALM unites symbolic reasoning with neural generation, enabling systems to make context-sensitive decisions grounded in real-world multi-modal data. Background: Classic bivalent logic systems cannot capture the nuance of human decision-making. They also require human grounding in multi-modal environments, which can be ad-hoc, rigid, and brittle. Neural networks are good at extracting rich contextual information from multi-modal data, but lack interpretable structures for reasoning. Objectives: CALM aims to bridge the gap between logic and neural perception, creating an analog logic that can reason over multi-modal inputs. Without this integration, AI systems remain either brittle or unstructured, unable to generalize robustly to real-world tasks. In CALM, symbolic predicates evaluate to analog truth values computed by neural networks and constrained search. Methods: CALM represents each predicate using a domain tree, which iteratively refines its analog truth value when the contextual groundings of its entities are determined. The iterative refinement is predicted by neural networks capable of capturing multi-modal information and is filtered through a symbolic reasoning module to ensure constraint satisfaction. Results: In fill-in-the-blank object placement tasks, CALM achieved 92.2% accuracy, outperforming classical logic (86.3%) and LLM (59.4%) baselines. It also demonstrated spatial heatmap generation aligned with logical constraints and delicate human preferences, as shown by a human study. Conclusions: CALM demonstrates the potential to reason with logic structure while aligning with preferences in multi-modal environments. It lays the foundation for next-gen AI systems that require the precision and interpretation of logic and the multimodal information processing of neural networks.

cs.AI

Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait Sketching

The symbolic discovery of Ordinary Differential Equations (ODEs) from trajectory data plays a pivotal role in AI-driven scientific discovery. Existing symbolic methods predominantly rely on fixed, pre-collected training datasets, which often result in suboptimal performance, as demonstrated in our case study in Figure 1. Drawing inspiration from active learning, we investigate strategies to query informative trajectory data that can enhance the evaluation of predicted ODEs. However, the butterfly effect in dynamical systems reveals that small variations in initial conditions can lead to drastically different trajectories, necessitating the storage of vast quantities of trajectory data using conventional active learning. To address this, we introduce Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait Sketching (APPS). Instead of directly selecting individual initial conditions, our APPS first identifies an informative region within the phase space and then samples a batch of initial conditions from this region. Compared to traditional active learning methods, APPS mitigates the gap of maintaining a large amount of data. Extensive experiments demonstrate that APPS consistently discovers more accurate ODE expressions than baseline methods using passively collected datasets.

cs.LG

Integrating Symbolic Reasoning into Neural Generative Models for Design Generation

Design generation requires tight integration of neural and symbolic reasoning, as good design must meet explicit user needs and honor implicit rules for aesthetics, utility, and convenience. Current automated design tools driven by neural networks produce appealing designs but cannot satisfy user specifications and utility requirements. Symbolic reasoning tools, such as constraint programming, cannot perceive low-level visual information in images or capture subtle aspects such as aesthetics. We introduce the Spatial Reasoning Integrated Generator (SPRING) for design generation. SPRING embeds a neural and symbolic integrated spatial reasoning module inside the deep generative network. The spatial reasoning module samples the set of locations of objects to be generated from a backtrack-free distribution. This distribution modifies the implicit preference distribution, which is learned by a recursive neural network to capture utility and aesthetics. Sampling from the backtrack-free distribution is accomplished by a symbolic reasoning approach, SampleSearch, which zeros out the probability of sampling spatial locations violating explicit user specifications. Embedding symbolic reasoning into neural generation guarantees that the output of SPRING satisfies user requirements. Furthermore, SPRING offers interpretability, allowing users to visualize and diagnose the generation process through the bounding boxes. SPRING is also adept at managing novel user specifications not encountered during its training, thanks to its proficiency in zero-shot constraint transfer. Quantitative evaluations and a human study reveal that SPRING outperforms baseline generative models, excelling in delivering high design quality and better meeting user specifications.

cs.AI

A Tighter Convergence Proof of Reverse Experience Replay

In reinforcement learning, Reverse Experience Replay (RER) is a recently proposed algorithm that attains better sample complexity than the classic experience replay method. RER requires the learning algorithm to update the parameters through consecutive state-action-reward tuples in reverse order. However, the most recent theoretical analysis only holds for a minimal learning rate and short consecutive steps, which converge slower than those large learning rate algorithms without RER. In view of this theoretical and empirical gap, we provide a tighter analysis that mitigates the limitation on the learning rate and the length of consecutive steps. Furthermore, we show theoretically that RER converges with a larger learning rate and a longer sequence.

cs.LG

Vertical Symbolic Regression via Deep Policy Gradient

Vertical Symbolic Regression (VSR) recently has been proposed to expedite the discovery of symbolic equations with many independent variables from experimental data. VSR reduces the search spaces following the vertical discovery path by building from reduced-form equations involving a subset of independent variables to full-fledged ones. Proved successful by many symbolic regressors, deep neural networks are expected to further scale up VSR. Nevertheless, directly combining VSR with deep neural networks will result in difficulty in passing gradients and other engineering issues. We propose Vertical Symbolic Regression using Deep Policy Gradient (VSR-DPG) and demonstrate that VSR-DPG can recover ground-truth equations involving multiple input variables, significantly beyond both deep reinforcement learning-based approaches and previous VSR variants. Our VSR-DPG models symbolic regression as a sequential decision-making process, in which equations are built from repeated applications of grammar rules. The integrated deep model is trained to maximize a policy gradient objective. Experimental results demonstrate that our VSR-DPG significantly outperforms popular baselines in identifying both algebraic equations and ordinary differential equations on a series of benchmarks.

cs.LG

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.

cs.AI

Vertical Symbolic Regression

Automating scientific discovery has been a grand goal of Artificial Intelligence (AI) and will bring tremendous societal impact. Learning symbolic expressions from experimental data is a vital step in AI-driven scientific discovery. Despite exciting progress, most endeavors have focused on the horizontal discovery paths, i.e., they directly search for the best expression in the full hypothesis space involving all the independent variables. Horizontal paths are challenging due to the exponentially large hypothesis space involving all the independent variables. We propose Vertical Symbolic Regression (VSR) to expedite symbolic regression. The VSR starts by fitting simple expressions involving a few independent variables under controlled experiments where the remaining variables are held constant. It then extends the expressions learned in previous rounds by adding new independent variables and using new control variable experiments allowing these variables to vary. The first few steps in vertical discovery are significantly cheaper than the horizontal path, as their search is in reduced hypothesis spaces involving a small set of variables. As a consequence, vertical discovery has the potential to supercharge state-of-the-art symbolic regression approaches in handling complex equations with many contributing factors. Theoretically, we show that the search space of VSR can be exponentially smaller than that of horizontal approaches when learning a class of expressions. Experimentally, VSR outperforms several baselines in learning symbolic expressions involving many independent variables.

cs.AI

Efficient Learning of PDEs via Taylor Expansion and Sparse Decomposition into Value and Fourier Domains

Accelerating the learning of Partial Differential Equations (PDEs) from experimental data will speed up the pace of scientific discovery. Previous randomized algorithms exploit sparsity in PDE updates for acceleration. However such methods are applicable to a limited class of decomposable PDEs, which have sparse features in the value domain. We propose Reel, which accelerates the learning of PDEs via random projection and has much broader applicability. Reel exploits the sparsity by decomposing dense updates into sparse ones in both the value and frequency domains. This decomposition enables efficient learning when the source of the updates consists of gradually changing terms across large areas (sparse in the frequency domain) in addition to a few rapid updates concentrated in a small set of "interfacial" regions (sparse in the value domain). Random projection is then applied to compress the sparse signals for learning. To expand the model applicability, Taylor series expansion is used in Reel to approximate the nonlinear PDE updates with polynomials in the decomposable form. Theoretically, we derive a constant factor approximation between the projected loss function and the original one with poly-logarithmic number of projected dimensions. Experimentally, we provide empirical evidence that our proposed Reel can lead to faster learning of PDE models (70-98% reduction in training time when the data is compressed to 1% of its original size) with comparable quality as the non-compressed models.

cs.LG

Racing Control Variable Genetic Programming for Symbolic Regression

Symbolic regression, as one of the most crucial tasks in AI for science, discovers governing equations from experimental data. Popular approaches based on genetic programming, Monte Carlo tree search, or deep reinforcement learning learn symbolic regression from a fixed dataset. They require massive datasets and long training time especially when learning complex equations involving many variables. Recently, Control Variable Genetic Programming (CVGP) has been introduced which accelerates the regression process by discovering equations from designed control variable experiments. However, the set of experiments is fixed a-priori in CVGP and we observe that sub-optimal selection of experiment schedules delay the discovery process significantly. To overcome this limitation, we propose Racing Control Variable Genetic Programming (Racing-CVGP), which carries out multiple experiment schedules simultaneously. A selection scheme similar to that used in selecting good symbolic equations in the genetic programming process is implemented to ensure that promising experiment schedules eventually win over the average ones. The unfavorable schedules are terminated early to save time for the promising ones. We evaluate Racing-CVGP on several synthetic and real-world datasets corresponding to true physics laws. We demonstrate that Racing-CVGP outperforms CVGP and a series of symbolic regressors which discover equations from fixed datasets.

cs.NE