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Zijian Wei

Publications and source records attributed to Zijian Wei.

4 recordsLinked to original sources

Agentic-MatriBO: Capability-Compiled Agentic Bayesian Optimization for Materials and Chemical Design

Materials and chemical optimization must choose the next synthesis, characterization, or high-fidelity simulation from sequential observations under a limited budget. Large language models can use task knowledge to propose adjustments, but composing surrogates, acquisition functions, and search strategies is constrained by compatibility, parameter dependencies, and evidence requirements. We present Agentic-MatriBO, a capability-compiled agentic Bayesian optimization (BO) framework that represents BO components and selection conditions as composable capabilities. A language policy proposes BO recipes and candidate plans; a compiler checks proposals against the registered capability catalog; and a deterministic execution layer validates and commits candidates. Oracle observations are stored in research memory and inform later rounds. We compare Agentic-MatriBO with eight baselines on four offline finite candidate pools---COF, PCE10, Buchwald--Hartwig (BH), and Suzuki--Miyaura---using five seeds per condition; results are reported descriptively. Across the four tasks, Agentic-MatriBO has the best mean endpoint quality after orienting each objective so that higher is better. On COF, it reaches the tabulated optimum in all five seeds both in the end-to-end comparison and after shared initialization, where it also retains an advantage in cumulative quality. Its normalized area under the best-so-far quality curve during the BO stage (nAUC-BO) is substantially higher on COF, near parity with the best baseline on PCE10 and BH, and lower on Suzuki. COF ablations show that removing the capability compiler or evidence gate coincides with lower cumulative quality and fewer exact-optimum hits. The framework provides an inspectable interface for evidence-conditioned BO adaptation.

cs.LG↗

FissionGuard: Testing Local Watermark Proportions with FDR Control

A watermark detector can flag a text even when only a small fraction of its tokens are watermarked. We study sequential auditing to identify local passages whose watermark proportions exceed a prespecified threshold. Each alarm fixes a candidate passage's endpoint, while its start is chosen from earlier tokens. Reusing the same evidence to locate and test a passage can invalidate inference. We propose FissionGuard, which uses data fission to construct an alarm value and a validation value from each token-level $p$-value. The alarm values guide alarms and localization. The validation values yield passage-level $p$-values through partial conjunction, excluding as many of the strongest signals as the proportion null allows. These $p$-values are used to test the corresponding hypotheses at levels assigned by an online multiple-testing procedure. Under the stated watermark generation model, allowing dependence among token-level $p$-values at watermarked positions, we prove finite-sample false discovery rate (FDR) control among reported passages at every fixed finite horizon. We also derive a finite-sample lower bound on power for testing nonnull candidates. Experiments on synthetic streams and Mistral and Qwen generations across four marking layouts show gains in watermarked-token coverage over sample splitting, with empirical FDR below the target.

stat.ME↗

Interval Localization for Multiple Change-points with Error Rate Control

Interval localization in multiple change-point detection aims to identify intervals containing true change-points while controlling false discoveries. We formulate this task as a multiple testing problem over detector-reported intervals and develop an algorithm-agnostic and distribution-free framework that controls the interval-level FDR, the expected proportion of retained intervals containing no true change-points. The proposed permutation-based order-preserving interval selection (POIS) uses order-preserving sample splitting to separate detection from permutation testing. To improve power, POIS+ reuses the detection-side evidence and introduces detection-conditional $e$-values as unnormalized weights for permutation $p$-values. Both procedures achieve finite-sample FDR control. Under the stated conditions, POIS attains asymptotically full power while POIS+ has asymptotically no lower power than POIS. Simulation results show that POIS maintains high power and POIS+ further improves power with empirical FDR below the nominal level for both procedures. Two real data applications demonstrate the practical effectiveness of the proposed methods.

stat.ME↗

e-GAI: e-value-based Generalized $α$-Investing for Online False Discovery Rate Control

Online multiple hypothesis testing has attracted a lot of attention in many applications, e.g., anomaly status detection and stock market price monitoring. The state-of-the-art generalized $α$-investing (GAI) algorithms can control online false discovery rate (FDR) on p-values only under specific dependence structures, a situation that rarely occurs in practice. The e-LOND algorithm (Xu & Ramdas, 2024) utilizes e-values to achieve online FDR control under arbitrary dependence but suffers from a significant loss in power as testing levels are derived from pre-specified descent sequences. To address these limitations, we propose a novel framework on valid e-values named e-GAI. The proposed e-GAI can ensure provable online FDR control under more general dependency conditions while improving the power by dynamically allocating the testing levels. These testing levels are updated not only by relying on both the number of previous rejections and the prior costs, but also, differing from the GAI framework, by assigning less $α$-wealth for each rejection from a risk aversion perspective. Within the e-GAI framework, we introduce two new online FDR procedures, e-LORD and e-SAFFRON, and provide strategies for the long-term performance to address the issue of $α$-death, a common phenomenon within the GAI framework. Furthermore, we demonstrate that e-GAI can be generalized to conditionally super-uniform p-values. Both simulated and real data experiments demonstrate the advantages of both e-LORD and e-SAFFRON in FDR control and power.

stat.ME↗