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Haizhao Yang

Publications and source records attributed to Haizhao Yang.

At least 19 recordsLinked to original sources

ROMNet: a hybrid reduced order modeling and machine learning approach to waveform inversion

Waveform inversion seeks to estimate the wave speed of a heterogeneous, inaccessible medium, from time-resolved measurements of the waves at user controlled sensors. We consider this inverse problem for acoustic waves and an active array of source/receiver sensors that emit probing signals and measure the generated pressure waves. The forward map, from the wave speed to the measurements, is nonlinear and oscillatory. The oscillations cause cycle skipping, the main impediment to using the standard, nonlinear least-squares data fitting formulation, known as full waveform inversion (FWI). A recently introduced alternative waveform inversion approach computes from the measurements an algebraic surrogate of the wave operator, a reduced order model (ROM) matrix, which is then used to estimate the wave speed. The mapping from the measurements to the ROM is nonlinear, but well understood. It is computed efficiently, in a non-iterative manner. The nonlinear mapping from the ROM to the wave speed is less understood, and its approximation involves time-consuming optimization. Our goal in this paper is to use a neural network to map the ROM matrix to a nearby one, that has a simpler and explicit dependence on the wave speed. This simplifies and reduces the computational cost of the ROM-based waveform inversion. We introduce the methodology, called ROMNet, and test it with numerical simulations, using two training data sets: The first set consists of random media with variations of the wave speed modeled by a superposition of Gaussians with random amplitudes and standard deviations. The second is the publicly available GeoFWI dataset introduced for benchmarking FWI using deep learning. We compare the performance of ROMNet with the direct ROM-based inversion and with two representative deep learning approaches to FWI: ``Fourier-DeepONet" and ``InversionNet".

math.NA

AutoSR: Automatic Symbolic Regression by Searching Research States

We introduce Automatic Symbolic Regression (AutoSR), a fully automated system that instantiates Research-Space Symbolic Regression by searching persistent scientific investigations rather than isolated equations. Finite, noisy data often yield numerically competitive expressions that imply very different behavior outside the observed regime, making numerical fit and syntactic complexity insufficient measures of scientific credibility. Existing approaches largely focus on improving expressions, yet the search typically retains little beyond the resulting formula and score, losing the scientific record, such as motivations and probes, that inform what to try next. AutoSR preserves this record in a \textbf{Research State}, coupling each candidate equation with the reasoning, computational evidence, and independent review developed along its branch. Proposer--reviewer agents develop these states under progressive-widening Monte Carlo tree search (PW-MCTS), which allocates computation across competing investigations, while the accumulated research record is ultimately synthesized into a final report that explains the leading relation and the basis for its selection. Across nine selected challenges from two benchmark suites, AutoSR recovers algebraically equivalent relations in every case, including three cp3-bench problems that no published system recovers and six structurally diverse LSR-Transform problems. Overall, AutoSR extends symbolic regression from equation-level search toward automated scientific investigation, allowing scientific knowledge and accumulated evidence to shape both what is explored and how the resulting equation is justified.

cs.SC

Accelerated Learning of High Dimensional Functions with a Tensor-Featured Training Network

In this work we present a method to accelerate the optimization of learning high dimensional functions using deep neural network (DNN). This optimization procedure introduces contextual features into the first layer of a DNN. The parameters of DNN are optimized via standard gradient descent while keeping the input-feature basis fixed. After optimization of the DNN parameters, the feature layer is provided a chance to update and change before DNN optimization resumes. The feature layer has two types of functions: those that can be evaluated quickly in a matrix-free way on the domain (i.e. rank-1 features) and more complex features that must first be decomposed using tensor network (TN) decomposition strategies (tensor features). In particular, we study the effect of adding features which distill pretrained DNN into TNs using a discretize and decompose strategy. To efficiently decompose high-dimensional functions constructed from discretized DNN, we leverage a randomized tensor decomposition strategy. Using randomization, we are able to reduce the storage cost of decomposing high dimensional functions by at least 8 orders of magnitude. Using this approach, we are able to efficiently train models between 5 and 40 dimensions.

cs.LG

Reward-Oracle MCTS for Formal Theorem Proving: Sample-Efficient Search and the Need for Kernel-Level Proof Auditing

Formal theorem proving with large language models remains challenging due to the difficulty of navigating large proof search spaces efficiently. Existing tree search approaches either feed verbose compiler error messages directly into the generation context, increasing context usage during search, or employ non-standard evaluation protocols that prevent direct comparison with established baselines. We propose a three-role Monte Carlo Tree Search (MCTS) framework that treats the Lean 4 compiler purely as a reward oracle using compiler output as a scalar signal for UCB-guided tree updates without feeding error content into the generation context. Our framework decomposes proof search into three roles: a generator for proof attempts, a decomposer for subgoal decomposition, and a critic for subgoal quality evaluation. We evaluate across 4 benchmarks spanning competition mathematics and physics (MiniF2F, PutnamBench, LeanPhysBench, PhysLeandata) with three prover models at standard proof attempt budgets (PAB@16 to PAB@256). Our method achieves 87.1\% on MiniF2F with Goedel-Prover-V2-8B at PAB@256 and solves 26/659 PutnamBench problems at PAB@32 surpassing base sampling 18/659 at same proof attempt budget. Through an exhaustive axiom-level audit of every compiled proof, we further identify reward hacking in search-based theorem proving: DeepSeek-Prover-V2-7B produces proofs on PutnamBench that pass compilation and the standard sorry-token scan while depending on sorryAx. The audit removes 4 and 8 such proofs from whole-proof sampling at PAB@32 and PAB@128, and 11 and 19 from MCTS. We do not attribute these counts to the search procedure; we report them to establish that kernel-level auditing is necessary for compiler-verified evaluation.

cs.AI

AgonAlpha: Autonomous Alpha Discovery via Prompt Economy and Scalable Agentic Search

Language models can propose many plausible trading factors, but an autonomous research system must also allocate its evaluation budget, verify its own evidence, and preserve how each candidate was produced. We present AgonAlpha, an architecture that searches over frozen research artifacts---hypotheses, executable expressions, platform evidence, rationales, and review status---rather than formulas alone. To our knowledge, AgonAlpha is the first alpha-mining system to combine verified artifact search, a fresh-context adversarial reviewer with re-execution and veto authority, and pending-aware parallel budget allocation, together with a complete public evidence trail. Independent deployments on WorldQuant BRAIN produced SPECTACULAR-grade alphas across five users and six model backends, with Fitness reaching 9.50 and Sharpe reaching 3.48, while retaining prompt-to-expression provenance for every submission.

cs.AI

Understanding Sparse Attention Selectivity in Long-Context Foundation Models via Counterfactual Evaluation

Sparse attention is widely deployed in long-context serving stacks, yet no framework audits how discarding blocks changes the influence of specific content on model output. We first establish that the phenomenon is real and causal: Block Sparse Flash Attention (BSFA) route replay across four architectures changes output decisions in 13 of 16 cells, with zero identity-replay label flips. We then introduce a dense-calibrated counterfactual audit using matched probe cards---Gold (carrying the correct answer label), Poison (carrying a target wrong label), and Benign (filler only)---under six-layout position symmetry, isolating the sparsification-specific effect. Two patterns compete. Signal concentration: the selector preserves Gold and Poison blocks far above filler-matched Benign blocks (G$\approx$P$\gg$B across all model--task pairs). Integration loss: discarding blocks severs cross-block attention---confirmed by an ablation where isolating the probe block collapses its influence from 4.48 logits to zero. Compression ratio governs the balance: a full sweep from mild ($c=0.25$) to aggressive ($c=0.75$) compression across four model--task pairs reveals that three of four cells move toward stronger sparse amplification at higher compression, with two exhibiting sign reversals. Three independent arms---BSFA route replay, controlled block-top-$k$, and KV-cache eviction---converge: sparsification changes content influence in ways aggregate accuracy cannot detect. We provide an open measurement framework deployable on any model exposing block identities.

cs.CL

Cross-Task Dissociation in Frontier Vision-Language Model Theory of Mind

Do frontier vision-language models present a coherent Theory-of-Mind (ToM) profile across tasks, matching the same human reference group, or does that profile fragment from one paradigm to the next? We evaluate a shared panel of nine frontier VLMs on two psychology-derived benchmarks: the Keysar Director Task (visual perspective-taking under egocentric interference) and the Frith-Happ\'e animated triangles scored with the Castelli rubric (intention attribution from pure motion). On the Director Task, without chain-of-thought, the panel makes the egocentric error on 78\% of trials like children rather than adults; variation is substantial across models, and reasoning rescues several models. On the triangles, the panel under-attributes intention: its ToM profile sits more than three times closer to the high-functioning-autistic-adult (HF-ASD) mean than to the typical-development-adult (TD) mean, while Goal-Directed and Random stay near TD. No model is nearest TD on both tasks; the model that looks adult-like on the Director Task falls on the HF-ASD side on the triangles, and the most TD-like model on the triangles is child-like on the Director Task. We report group-level descriptions, not diagnostic labels for any model.

cs.CL

Effective Parameters, Real Behavior: Renormalization for Robotics -- From Infinite Electron Mass to Sim-to-Real Gap

Bridging the sim-to-real gap is a central problem in robotics, and the prevailing approach is to build increasingly accurate simulators. Here, we propose another approach based on renormalization: using effective, resolution-dependent parameters to absorb details omitted by the simulator and reproduce real behavior. These parameters may differ from measured physical values because they compensate for what the simulator leaves out. We demonstrate this mechanism analytically for proportional--derivative (PD) control at finite simulation frequency, where proportional feedback changes the effective derivative gain and derivative feedback changes the effective inertia. We then interpret dynamic rope manipulation and underwater swimming through the same perspective. Finally, we present a practical procedure for choosing observables, identifying omitted physics, and determining effective parameters. Renormalization offers robotics a complementary path across the sim-to-real gap: effective parameters, real behavior.

cs.RO

Bringing Agentic Search to Earth Observation Data Discovery

NASA and its data centers hold thousands of geoscience datasets and tools like Worldview, Giovanni, the Science Discovery Engine, and Harmony. Finding the right one is hard even for domain experts. We present an agentic search system, deployed as a public service for the geoscience community, that takes a natural-language research query and returns the matching datasets and tools. We demonstrate that, in the era of large language models, the latent value of knowledge graphs (KGs) can be substantially amplified through agentic search. From the NASA Earth Observation Knowledge Graph (NASA EO-KG) we derive NASA-EO-Bench, an open benchmark of 47k query-dataset pairs (21k task-based queries). A neural scorer fine-tuned on NASA-EO-Bench beats cosine and BM25 baselines. Further combining it with BM25 via score fusion raises both Recall@10 (R@10) and MRR by over 5x. On top of this supervised pipeline, we add a zero-shot agentic reranking stage that, without any additional training, lifts MRR by 28% on a stratified N=200 subset, showing that LLM reasoning is complementary to supervised retrieval.

cs.IR

GAIA: Geometry-Adaptive Operator Learning for Forward and Inverse Problems

Operator learning for partial differential equations (PDEs) on arbitrary geometries builds fast neural surrogates for large-scale simulation. Although recent geometry-adaptive neural operators have made substantial progress, they are mainly designed for forward problems in which inputs and outputs share the same spatial domain. This limits their applicability for boundary value problems (BVPs) and inverse problems, where inputs and outputs may live on different domains. We introduce the Geometry-Adaptive Integral Autoencoder (GAIA), an operator learning model that encodes the domain boundary and the interior field distribution into geometry tokens, and conditions integral transform layers on these tokens via cross-attention, allowing the kernel to adapt locally to geometric features. This yields a single architecture for forward (including BVPs) and inverse problems on arbitrary domains in one pass, without retraining, iterative optimization, or graph construction. We evaluate GAIA on seven 2D and 3D benchmarks, four of which are new or substantially extended benchmarks for inverse problems and BVP: electrical impedance tomography, optical tomography, 3D Darcy flow on varying geometries, and a modified setting of Poisson BVP on mechanical components benchmark (MCB). GAIA sets new state-of-the-art results on every inverse and BVP task, reducing median relative $L^2$ error by 64% on airfoil flow reconstruction and 27% on EIT relative to the next best amortized method, and outperforming all baselines on every shape category of MCB. On other forward problems, GAIA is competitive with specialized solvers while maintaining stable accuracy across point resolutions on which transformer-based baselines degrade.

cs.LG

Agon: An Autonomous Large-Scale Omnidisciplinary Research System Built on Prompt Economy

Large language models are making research production scalable, shifting the bottleneck from producing artifacts to judging claims. We present \textsc{Agon}, a research orchestrator that validates what can be checked inside the workflow and leaves the remaining judgments to human scientists. \textsc{Agon} is built on six design principles: Prompt Economy, Future-Facing, Minimal Prompts, OmniDisciplinary, Massive Parallelism, and Zero-Code. We ran \textsc{Agon} across domains for 444 iterations of Prompt Economy loops, using only small starting topics and no human-written experimental code. These deployments demonstrate scalability while exposing new classes of failure. We organize these failures into a taxonomy along severity, fixability, visibility, and capability locus. The taxonomy separates failures the loops can see and fix from those that require human judgment. Together, these results show that \textsc{Agon} is pushing research toward a new paradigm: machine scales, human steers.

cs.SE

Sobolev Approximation by Fixed-Size Neural Networks with Arbitrary Accuracy

In this work, we investigate new activation functions for achieving arbitrary-accuracy Sobolev approximation by fixed-size neural networks. We first show that any function in $W^{2,\infty}((a,b)^d)$ can be approximated with arbitrary accuracy, measured in the $W^{1,\infty}$-norm, by a fixed-size neural network using the Elementary Universal Activation Function ($\mathrm{EUAF}$). To extend this result to $W^{s,\infty}((a,b)^d)$ for $s\in\mathbb{N}$, we introduce a smooth activation $\mathrm{DUAF}_{\infty}$ from the family of Differentiable Universal Activation Functions ($\mathrm{DUAF}_n$). We prove that any function in $W^{s,\infty}((a,b)^d)$ can be approximated with arbitrary accuracy in the $W^{s-1,\infty}$-norm by a fixed-size $\mathrm{DUAF}_{\infty}$-activated network. We further construct sigmoidal variants $\widetilde{\mathrm{DUAF}}_n$ and show that, for every $1\leq s\leq n$, fixed-size $\widetilde{\mathrm{DUAF}}_n$-activated networks still approximate any $f\in W^{s,\infty}((a,b)^d)$ with arbitrary accuracy in the $W^{s-1,\infty}$-norm. In all these results, the width and depth bounds are computed explicitly, and the proposed activations are elementary.

stat.ML

Global Convergence and Error Propagation in Neural Gradient Flows: A Riemannian Optimization Framework

We develop a geometric convergence theory for neural-network optimization within the minimizing movement scheme (MMS) framework. Reformulating each neural MMS step as a minimization over the set of increments in a Hilbert space, we show that under a $C^2$ network with locally non-degenerate Jacobian this increment set is a boundaryless smooth embedded submanifold, on which a natural preconditioned (Gauss--Newton-type) gradient flow in parameter space induces exactly the Riemannian gradient flow. Under a strict interior-localization condition and an explicit data condition, the reached sublevel set is geodesically convex and the subproblem objective is geodesically strongly convex on it; both the continuous Riemannian gradient flow and its discrete companion via the exponential map converge linearly to the unique subproblem minimizer. Propagating finite-time inner-solver inexactness and neural-approximation error through the MMS iterations yields a uniform function-space tracking bound and an explicit trajectory budget, so the inexact neural iterates converge to an $O(\delta)$-neighborhood of the global minimum. Numerical experiments on nonlinear regression and a small-scale latent-diffusion testbed indicate that the Gauss--Newton-type inner solver achieves smaller trajectory errors with substantially fewer inner iterations than first-order baselines.

math.OC

Finite Expression Method with TranNet-based Function Learning for High-Dimensional Partial Differential Equations

In this paper, we study a machine-learning-based solver for high-dimensional partial differential equations (PDEs). Computing accurate solutions efficiently for such problems remains challenging because of the curse of dimensionality, which severely limits the scalability of classical numerical methods. Our approach builds on the recently developed finite expression method (FEX), which approximates PDE solutions in a function space generated by finitely many analytic expressions. This framework has been shown to achieve high, and in some cases machine-level, accuracy with polynomial memory complexity and favorable computational cost. We propose an extension of FEX in which the functional pool is generated by shallow neural network operators whose parameters are initialized using the transferable neural network method TransNet. Numerical experiments suggest that the proposed extension is an effective alternative for solving several high-dimensional PDEs.

math.NA

Beyond Expected Information Gain: Stable Bayesian Optimal Experimental Design with Integral Probability Metrics and Plug-and-Play Extensions

Bayesian Optimal Experimental Design (BOED) provides a rigorous framework for decision-making tasks in which data acquisition is often the critical bottleneck, especially in resource-constrained settings. Traditionally, BOED typically selects designs by maximizing expected information gain (EIG), commonly defined through the Kullback-Leibler (KL) divergence. However, classical evaluation of EIG often involves challenging nested expectations, and even advanced variational methods leave the underlying log-density-ratio objective unchanged. As a result, support mismatch, tail underestimation, and rare-event sensitivity remain intrinsic concerns for KL-based BOED. To address these fundamental bottlenecks, we introduce an IPM-based BOED framework that replaces density-based divergences with integral probability metrics (IPMs), including the Wasserstein distance, Maximum Mean Discrepancy, and Energy Distance, resulting in a highly flexible plug-and-play BOED framework. We establish theoretical guarantees showing that IPM-based utilities provide stronger geometry-aware stability under surrogate-model error and prior misspecification than classical EIG-based utilities. We also validate the proposed framework empirically, demonstrating that IPM-based designs yield highly concentrated credible sets. Furthermore, by extending the same sample-based BOED template in a plug-and-play manner to geometry-aware discrepancies beyond the IPM class, illustrated by a neural optimal transport estimator, we achieve accurate optimal designs in high-dimensional settings where conventional nested Monte Carlo estimators and advanced variational methods fail.

stat.ML

Randomized Subsystem Descent for Fermion-to-Qubit Mapping

We propose a versatile and efficient algorithmic framework for optimizing fermion-to-qubit mappings by generalizing the idea of randomized block coordinate descent. Our greedy approach, termed Randomized Subsystem Descent, iteratively samples a tractable subsystem from the full Hamiltonian, performs optimization within the subsystem under a given metric, and then reintegrates the updated subsystem into the global operator. Restricting the optimization to a subsystem at each iteration ensures computational efficiency, bypassing the dimensional bottlenecks that usually hinder global search heuristics. We benchmark our algorithm on one- and two-dimensional lattice hopping models, the Hubbard model with up to $16 \times 16$ sites, alongside a collection of molecular electronic-structure Hamiltonians with up to 54 modes and more than 180,000 Pauli strings. Across all benchmarks, our method consistently provides appreciable reduction in (weighted) Pauli weight, suggesting that Randomized Subsystem Descent is a practical and scalable framework for lowering the resource overhead of finding hardware-efficient Hamiltonian encodings.

quant-ph

Principal Prototype Analysis on Manifold for Interpretable Reinforcement Learning

Recent years have witnessed the widespread adoption of reinforcement learning (RL), from solving real-time games to fine-tuning large language models using human preference data significantly improving alignment with user expectations. However, as model complexity grows exponentially, the interpretability of these systems becomes increasingly challenging. While numerous explainability methods have been developed for computer vision and natural language processing to elucidate both local and global reasoning patterns, their application to RL remains limited. Direct extensions of these methods often struggle to maintain the delicate balance between interpretability and performance within RL settings. Prototype-Wrapper Networks (PW-Nets) have recently shown promise in bridging this gap by enhancing explainability in RL domains without sacrificing the efficiency of the original black-box models. However, these methods typically require manually defined reference prototypes, which often necessitate expert domain knowledge. In this work, we propose a method that removes this dependency by automatically selecting optimal prototypes from the available data. Preliminary experiments on standard Gym environments demonstrate that our approach matches the performance of existing PW-Nets, while remaining competitive with the original black-box models.

cs.LG

AutoNumerics: An Autonomous, PDE-Agnostic Multi-Agent Pipeline for Scientific Computing

PDEs are central to scientific and engineering modeling, yet designing accurate numerical solvers typically requires substantial mathematical expertise and manual tuning. Recent neural network-based approaches improve flexibility but often demand high computational cost and suffer from limited interpretability. We introduce \texttt{AutoNumerics}, a multi-agent framework that autonomously designs, implements, debugs, and verifies numerical solvers for general PDEs directly from natural language descriptions. Unlike black-box neural solvers, our framework generates transparent solvers grounded in classical numerical analysis. We introduce a coarse-to-fine execution strategy and a residual-based self-verification mechanism. Experiments on 24 canonical and real-world PDE problems demonstrate that \texttt{AutoNumerics} achieves competitive or superior accuracy compared to existing neural and LLM-based baselines, and correctly selects numerical schemes based on PDE structural properties, suggesting its viability as an accessible paradigm for automated PDE solving.

cs.AI