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Zheng Zhao

Publications and source records attributed to Zheng Zhao.

At least 19 recordsLinked to original sources

ESS-Flow: Training-free guidance as Bayesian inference in source space

Guiding pretrained flow-based generative models for conditional generation or to produce samples with desired target properties enables solving diverse tasks without retraining on paired data. We present ESS-Flow, a gradient-free method that leverages the Gaussian prior of the source distribution in flow-based models to perform Bayesian inference directly in the source space using elliptical slice sampling. ESS-Flow only requires forward passes through the generative model and observation process, making it applicable even when gradients are unavailable, such as with non-differentiable simulation-based observations or quantization in the generation process. We demonstrate its effectiveness on scientific applications including generating materials with target properties, protein backbone structures with improved designability, and synthesizable, drug-like molecules.

cs.LG↗

Test-Time Scaling of Text-to-Image Flow Matching Models with Noise-Rejuvenated Sequential Monte Carlo

Test-time scaling of diffusion models with sequential Monte Carlo (SMC) has become a promising strategy for sampling under user-specified rewards, such as human preference scores. However, the standard SMC framework typically relies on stochastic proposals and therefore does not directly transfer to flow matching models, in which inference is governed by deterministic ODEs. In this work, we introduce noise-rejuvenated SMC, an inference-time scaling method tailored for text-to-image flow matching models. Our key idea is to perturb each resampled particle by changing its source noise and constructing a new intermediate state using its current endpoint estimate. This moves the particle to another state that remains representable under the flow-matching interpolation form, enabling particle exploration without converting the sampler to an SDE. We further introduce a look-ahead mechanism to refine resampled particles before weighting. Experiments on Stable Diffusion 3, FLUX.1-dev, and Z-Image demonstrate consistent improvements in reward-guided generation, while ablation studies validate the contributions of noise rejuvenation and look-ahead refinement. Code is available at https://github.com/shermanlian/NR-SMC.

cs.CV↗

Sampling from Neural Operator Priors to Solve Partial Differential Equations

Guided sampling with sparse observations and PDE residuals has recently been combined with neural operator priors to solve partial differential equations in function space, their natural setting. We pair such a prior with pseudo-bootstrap sequential Monte Carlo (pBS SMC), a guided sampling framework that accommodates proposals without tractable densities, and introduce a new proposal by adapting the DPM++ algorithm to the guidance setting. Across five benchmark PDE systems this proposal attains the best error--time trade-off at every step count tested, and wrapping it in pBS gives the lowest error on most inverse-problem settings, with the largest gains when few sampling steps are used.

cs.LG↗

Interacting particle guidance for sampling reward-tilted generative priors

Inference-time steering adapts pretrained diffusion and flow-based models to new tasks, e.g., to generate samples from a conditional distribution or samples with desired properties, without retraining. This can be formalized as sampling from a reward-tilted generative prior. As exact sampling from this distribution is intractable, guidance-based methods rely on approximations producing biased samples, and sequential Monte Carlo (SMC) methods correct for this bias using importance weights. However, while exact in the large particle limit, SMC suffers from weight degeneracy and particle collapse in practice. We propose interacting particle guidance (IPG), which replaces reweighting with transport. The particles interact through an additional drift, derived from the Feynman--Kac PDE to cancel the reweighting term, and remain unweighted. Choosing the drift in a reproducing kernel Hilbert space yields a closed-form solution that is cheap to compute, with negligible overhead compared to SMC. We demonstrate the method on Gaussian mixtures with known posteriors, and on high-dimensional image inpainting and protein structure inference tasks.

cs.LG↗

Magenta: Closing the Loop Between Mathematical Reasoning and Lean Verification

Most of mathematical knowledge has been communicated through so-called informal use of mathematics and natural language. With large language models (LLMs) being highly adept in using natural language, they achieve strong performance, yet not perfect, in informal mathematical reasoning. Restraining LLMs to informal reasoning misses out on the opportunity to use the discrete verification abilities that machines offer through machine-checkable proofs. In this paper, we bridge the gap between informal and formal reasoning by integrating Lean signals into the informal reasoning process. We introduce Magenta, a training-free agentic pipeline that, given only a natural-language problem, produces an answer, expresses it as a Lean 4 statement, and constructs a machine-checked proof. A statement judge verifies whether the formalisation preserves the original problem, while an error-attribution judge routes failed attempts either to mathematical re-derivation or local Lean repair. Magenta achieves 100% accuracy across all evaluated olympiad benchmarks, including AIME 2025, AIME 2026, and HMMT February 2026. When paired with the open-weight K2-Horizon-7B reasoner, it solves all six IMO 2026 problems. Our analysis shows that statement adjudication is essential for preventing false certificates and that feedback-guided correction outperforms independent resampling on difficult problems.

cs.AI↗

Summarization is Not Dead Yet

The progress of large language models (LLMs) has fueled claims that model-generated summaries rival or even surpass human-written references, raising questions about whether summarization remains an open research problem. We re-examine this narrative through a multi-track evaluation covering diverse datasets and state-of-the-art LLMs, combining controlled human assessment, bias-mitigated LLM-as-Judge protocols, factuality verification against external knowledge, and corpus-level linguistic analysis. Our findings reveal a more nuanced landscape in which human references continue to demonstrate advantages in informativeness and faithfulness, whereas LLM outputs are preferred mainly for surface-level coherence and fluency. Factuality verification indicates that human references remain more reliable, particularly for claims involving reasoning or synthesis, and linguistic analysis uncovers a pattern of stylistic homogeneity across different models. These observations suggest that current LLMs have raised the floor of summarization quality, but the ceiling of their performance remains below human capabilities.

cs.CL↗

Cultivar: A Contrastive and Locale-Oriented Translation Benchmark for Investigating Contamination and Localisation Robustness

Multilingual translation benchmarks are typically sourced in English and translated into other languages, treating language pairs as the unit of evaluation---a design that is prone to contamination over time and overlooks locale and cultural considerations. We therefore advocate for source-contrastive evaluation and instantiate it with Cultivar, a localised subset of FLORES, which enables locale-specific translation evaluation. When paired with unlocalised counterparts, performance discrepancy allows the probing of data contamination and localisation robustness. We benchmark 32 open-weight models and find that MT-specialised models are less robust, a few models potentially overfit FLORES, and models tend to translate US content better than that of other locales, regardless of language.

cs.CL↗

DiffPower: GPU-Accelerated Differentiable Switching Power Analysis and Optimization

Accurate and scalable switching power analysis remains a critical bottleneck in modern physical design, often forcing a trade-off between computational speed and modeling fidelity. We present DiffPower, a GPU-accelerated framework for differentiable power analysis and optimization. DiffPower translates design netlists into a PDK-agnostic bytecode representation, enabling analytical gradient computation via reverse-mode automatic differentiation, achieving up to a $1{,}002\times$ speedup over single-threaded CPU propagation on the largest evaluated design, with the GPU advantage growing with design scale. A hybrid propagation methodology fusing analytical modeling with parallel simulation achieves a median toggle-rate correlation of $r{=}0.96$ across ten industrial and benchmark designs. The resulting \emph{power gradients}, computed up to $904\times$ faster than CPU finite-difference methods with near-perfect rank agreement, enable two downstream applications: (1) gradient-weighted cell sizing, which achieves up to $2.98\times$ improvement over local-power heuristics on industrial designs, with even stronger advantages at the 117K-cell scale where competing methods plateau; and (2) power virus generation via gradient ascent, which yields up to $2.13\times$ higher transition-weighted power, replacing a search process that traditionally requires hours.

cs.AR↗

PiCSAR: Probabilistic Confidence Selection And Ranking for Reasoning Chains

Best-of-n sampling improves the accuracy of large language models (LLMs) and large reasoning models (LRMs) by generating multiple candidate solutions and selecting the one with the highest reward. The key challenge for reasoning tasks is designing a scoring function that can identify correct reasoning chains without access to ground-truth answers. We propose Probabilistic Confidence Selection And Ranking (PiCSAR): a simple, training-free method that scores each candidate generation using the joint log-likelihood of the reasoning and final answer. The joint log-likelihood of the reasoning and final answer naturally decomposes into reasoning confidence and answer confidence. PiCSAR achieves substantial gains across diverse benchmarks (+10.18 on MATH500, +9.81 on AIME2025), outperforming baselines with at least 2x fewer samples in 16 out of 20 comparisons. Our analysis reveals that correct reasoning chains exhibit significantly higher reasoning and answer confidence, justifying the effectiveness of PiCSAR.

cs.CL↗

Modelling Gas-Phase Reaction Kinetics with Guided Particle Diffusion Sampling

Physics-guided sampling with diffusion priors has recently shown strong performance in solving complex systems of partial differential equations (PDEs) from sparse observations. However, these methods are typically evaluated on benchmark problems that do not fully demonstrate their ability to generate temporally consistent solutions of time-dependent PDEs, often focusing instead on reconstructing a single snapshot. In this work, we apply these methods to gas-phase reaction kinetics problems governed by the advection-reaction-diffusion (ARD) equation, providing a setting that more closely reflects realistic laboratory experiments. We demonstrate that guided sampling can be used to reconstruct full spatiotemporal trajectories, rather than isolated states. Furthermore, we show that these methods generalise to previously unseen parameter regimes, highlighting their potential for real-world applications.

physics.comp-ph↗

Debiasing Without Protected Attributes: Latent Concept Erasure from Textual Profiles

Most fairness research in NLP assumes direct access to protected attributes such as gender, race, or nationality. In practice, however, such information is often unavailable due to privacy constraints, missing metadata, or legal restrictions, even though models may infer it from indirect textual cues. This raises a key question: can debiasing succeed without direct access to sensitive attributes? We propose H-SAL, which performs post-hoc concept and attribute erasure using self-description text as an implicit debiasing signal. To support this setting, we introduce a multi-domain Stack Exchange-based fairness benchmark for helpfulness prediction that includes both explicit and implicit signals, enabling comparison between standard debiasing with protected labels and debiasing without access to sensitive information. Across encoder and decoder-only language models, we find that implicit self-description often matches or outperforms explicit-label-based debiasing. Our results broaden representation-level fairness research and provide a new benchmark for studying debiasing under realistic data constraints.

cs.CL↗

Pythagoras-Prover: Advancing Efficient Formal Proving via Augmented Lean Formalisation

Modern Lean theorem provers achieve strong performance only with substantial training and inference compute, driven in part by scarce verified proof data and the long reasoning traces of formal proof search, making both supervised fine-tuning (SFT) and sampling expensive. We introduce Pythagoras-Prover, a compute-efficient open-source family of Lean theorem provers built for practical compute budgets. The family spans two generation paradigms: autoregressive models at 4B and 32B parameters, and a first proof-of-concept diffusion-based prover (4B) that iteratively refines Lean proofs at inference time. For training efficiency, we build a Lean-verified corpus stratified into easy, medium, and hard problems for curriculum SFT, so models acquire proof skills progressively from shorter, simpler proofs to longer, harder ones. During SFT, a dynamic proof-reasoning filtering scheme preserves informative proof traces while keeping each instance within an 8k-token context budget. We also introduce Augmented Lean Formalisation (ALF), which expands scarce verified corpora into variants of formal statements, populated via self-distillation for extra training signal without formally verifying every mutated instance. By perturbing known problems while preserving their formal character, ALF reduces reliance on any statement's surface form. Empirically, Pythagoras-Prover-4B surpasses DeepSeek-Prover-V2-671B at pass@32 on MiniF2F-Test (86.1% vs 82.4%) with ~167x fewer parameters, while Pythagoras-Prover-32B sets the open-source state of the art at 93.0% on MiniF2F-Test and solves 93 of 672 PutnamBench problems. We release MiniF2F-ALF, an ALF-mutated contamination-sensitive benchmark on which every evaluated model loses accuracy; here our 32B remains strongest and our 4B matches the prior state of the art, Goedel-Prover-V2-32B.

cs.AI↗

Beyond Soft Masks: Hard-Perturbation Mixup Explainer for Robust GNN Explainability

Graph Neural Networks (GNNs) have demonstrated remarkable performance across a range of applications involving graph-structured data, particularly in high-stakes domains. However, the opaque nature of their decision-making processes limits their trustworthiness and broader adoption. Existing post-hoc explanation methods aim to improve explainability by identifying subgraphs that influence GNN predictions and adopt mixup strategies to alleviate the out-of-distribution (OOD) issue caused by using subgraphs for prediction. Yet, these approaches typically rely on soft masks, which are inherently unable to fully eliminate label-irrelevant information, allowing redundant structures to leak into the mixup process and hindering the resolution of the OOD problem, thereby degrading explanation fidelity. In this work, we propose HPME, a Hard-Perturbation Mixup Explanation framework grounded in a generalized Graph Information Bottleneck, which leverages graph pooling to extract discrete explanatory subgraphs and to yield an information-capacity bound to thoroughly compress label-irrelevant components. Furthermore, we introduce a novel mixup strategy built upon structure-level replacement, generating in-distribution explanations to effectively mitigate the distribution shift. Extensive experiments on diverse tasks demonstrate that HPME achieves state-of-the-art performance in generating robust and interpretable explanations across both synthetic and real-world datasets.

cs.LG↗

Diffusion differentiable resampling

This paper is concerned with differentiable resampling in the context of sequential Monte Carlo (e.g., particle filtering). Drawing on reparametrisation, we propose a new resampling method that is informative and instantly differentiable, based on a training-free diffusion model surrogate. We theoretically prove that our diffusion resampling method provides a consistent resampling distribution, and we show empirically that it outperforms the state-of-the-art differentiable resampling methods on multiple filtering and parameter estimation benchmarks. Finally, we show that it achieves competitive end-to-end performance when used in learning a complex dynamics-decoder model with high-dimensional image observations.

stat.ML↗

Particle-Guided Diffusion Models for Partial Differential Equations

We introduce a guided stochastic sampling method that augments sampling from diffusion models with physics-based guidance derived from partial differential equation (PDE) residuals and observational constraints, ensuring generated samples remain physically admissible. We embed this sampling procedure within a new Sequential Monte Carlo (SMC) framework, yielding a scalable generative PDE solver. Across multiple benchmark PDE systems as well as multiphysics and interacting PDE systems, our method produces solution fields with lower numerical error than existing state-of-the-art generative methods.

cs.LG↗

Study of $1^{--}$ P wave charmoniumlike and bottomoniumlike tetraquark spectroscopy

The masses of $1^{--}$ P-wave charmonium-like and bottomonium-like tetraquark states are calculated in a constituent quark model (CQM) where the Cornell-like potential and Breit-Fermi interaction are employed. All model parameters were imported from previous work, and predetermined by studying the low-lying conventional S- and P-wave light, charmed, bottom, charmonium, and bottomonium meson mass spectra. The lowest $1^{--}$ tetraquark mass is predicted to be around 4.15 GeV. The decay widths of $1^{--}$ P-wave tetraquark states are calculated for possible two-body strong decay channels within the rearrangement mechanism, including $ωχ_{cJ}$ and $ηJ/ψ$ for charmonium-like tetraquarks, and $ωχ_{bJ}$ for bottomonium-like tetraquarks. The theoretical results are compared with the selected exotic states, also known as Y states, and tentative assignments are suggested. This study suggests that $ψ(4230)$, $ψ(4360)$, $ψ(4660)$, and $Υ$(10753) may be P-wave tetraquark states and that multiple states might exist around 4.36 GeV.

hep-ph↗

Systematic study of exotic $1^{-+}$ tetraquark spectroscopy

The masses of exotic quantum-number $1^{-+}$ compact tetraquark states are calculated in a constituent quark model, where a Cornell-like potential is employed as the central potential, spin-spin and spin-orbit coupling derived from the Breit-Fermi interaction are treated as hyperfine corrections, and model parameters are taken from previous works. The ground state $1^{-+}$ P-wave tetraquarks are predicted at 1.9, 4.2, and 6.6~GeV for the light, charmonium-like, and fully-charm sectors, respectively. The decay width ratios of $1^{-+}$ tetraquark states are calculated for two-body strong decay channels within the rearrangement mechanism, including $ωh_1$ and $ηf_1$ for isospin $I=0$ light tetraquarks, $ρh_1$ and $πf_1$ for isospin $I=1$ light tetraquarks, $π/η+χ_{c1}$ and $ρ/ω+ h_c$ for charmonium-like tetraquarks, and $η_c χ_{c1}$ and $J/ψh_c$ for fully-charm tetraquarks. The theoretical results are compared with the observed exotic $1^{-+}$ states, and promising search channels for $1^{-+}$ tetraquarks are discussed. The work suggests that $η_1(1855)$ is unlikely to be a compact tetraquark state.

hep-ph↗

Topology-Aware Block Coordinate Descent for Qubit Frequency Allocation of Superconducting Quantum Processors

Pre-execution calibration is a major bottleneck for operating superconducting quantum processors, and qubit frequency allocation is especially challenging due to crosstalk-coupled objectives. We establish that the widely-used Snake optimizer is mathematically equivalent to Block Coordinate Descent (BCD), providing a rigorous theoretical foundation for this strategy for qubit frequency allocation. Building on this formalization, we present a topology-aware block ordering obtained by casting order selection as a Sequence-Dependent Traveling Salesman Problem (SD-TSP) and solving it efficiently with a nearest-neighbor heuristic. The SD-TSP cost reflects how a given block choice expands the reduced-circuit footprint required to evaluate the block-local objective, enabling orders that minimize per-epoch evaluation time. Under local crosstalk/bounded-degree assumptions, the method achieves linear complexity in qubit count per epoch, while maintaining comparable optimization performance. We formalize the calibration objective, clarify when reduced experiments are equivalent or approximate to the full objective, and analyze convergence of the resulting inexact BCD with noisy measurements. Simulations based on a physics-motivated error simulator show that the proposed BCD-NNA ordering attains the same optimization accuracy at markedly lower runtime than graph-based heuristics (BFS, DFS) and random orders, while also achieving optimization quality comparable to a genetic-algorithm baseline. This method is robust to noisy objective-function evaluations and tolerant to moderate non-local crosstalk mismatch. These results provide a scalable, implementation-ready workflow for frequency calibration in near-term superconducting processors and, more broadly, for locality-structured calibration tasks in future scalable architectures.

quant-ph↗