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Zhongze Cai

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4 papers
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4

UAI Conference 2025 Conference Paper

Out-of-distribution Robust Optimization

  • Zhongze Cai
  • Hansheng Jiang
  • Xiaocheng Li

In this paper, we consider the contextual robust optimization problem under an out-of-distribution setting. The contextual robust optimization problem considers a risk-sensitive objective function for an optimization problem with the presence of a context vector (also known as covariates or side information) capturing related information. While the existing works mainly consider the in-distribution setting, and the resultant robustness achieved is in an out-of-sample sense, our paper studies an out-of-distribution setting where there can be a difference between the test environment and the training environment where the data are collected. We propose methods that handle this out-of-distribution setting, and the key relies on a density ratio estimation for the distribution shift. We show that additional structures such as covariate shift and label shift are not only helpful in defending distribution shift but also necessary in avoiding non-trivial solutions compared to other principled methods such as distributionally robust optimization. We also illustrate how the covariates can be useful in this procedure. Numerical experiments generate more intuitions and demonstrate that the proposed methods can help avoid over-conservative solutions.

TMLR Journal 2025 Journal Article

Towards Better Understanding of In-Context Learning Ability from In-Context Uncertainty Quantification

  • Shang Liu
  • Zhongze Cai
  • Guanting Chen
  • Xiaocheng Li

Predicting simple function classes has been widely used as a testbed for developing theory and understanding of the trained Transformer's in-context learning (ICL) ability. In this paper, we revisit the training of Transformers on linear regression tasks, and different from all the existing literature, we consider a bi-objective prediction task of predicting both the conditional expectation $\mathbb{E}[Y|X]$ and the conditional variance Var$(Y|X)$. This additional uncertainty quantification objective provides a handle to (i) better design out-of-distribution experiments to distinguish ICL from in-weight learning (IWL) and (ii) make a better separation between the algorithms with and without using the prior information of the training distribution. Theoretically, we show that the trained Transformer reaches near Bayes optimum, suggesting the usage of the information of the training distribution. Our method can be extended to other cases. Specifically, with the Transformer's context window $S$, we prove a generalization bound of $\tilde{\mathcal{O}}(\sqrt{\min\{S, T\}/(n T)})$ on $n$ tasks with sequences of length $T$, providing sharper analysis compared to previous results of $\tilde{\mathcal{O}}(\sqrt{1/n})$. Empirically, we illustrate that while the trained Transformer behaves as the Bayes-optimal solution as a natural consequence of supervised training in distribution, it does not necessarily perform a Bayesian inference when facing task shifts, in contrast to the \textit{equivalence} between these two proposed in many existing literature. We also demonstrate the trained Transformer's ICL ability over covariate shift and prompt-length shift and interpret them as a generalization over a meta distribution.

NeurIPS Conference 2025 Conference Paper

What Matters in Data for DPO?

  • Yu Pan
  • Zhongze Cai
  • Huaiyang Zhong
  • Guanting Chen
  • Chonghuan Wang

Direct Preference Optimization (DPO) has emerged as a simple and effective approach for aligning large language models (LLMs) with human preferences, bypassing the need for a learned reward model. Despite its growing adoption, a fundamental question remains open: what characteristics of preference data are most critical for DPO performance? In this work, we provide a systematic study of how preference data distribution influences DPO, from both theoretical and empirical perspectives. We show that the quality of chosen responses plays a dominant role in optimizing the DPO objective, while the quality of rejected responses may have relatively limited impact. Our theoretical analysis characterizes the optimal response distribution under DPO and reveals how contrastiveness between responses helps primarily by improving the chosen samples. We further study an online DPO setting and show it effectively reduces to supervised fine-tuning on the chosen responses. Extensive experiments across diverse tasks confirm our findings: improving the quality of chosen responses consistently boosts performance regardless of the quality of the rejected responses. We also investigate the benefit of mixing the on-policy data. Our results interpret the mechanism behind some widely adopted strategies and offer practical insights for constructing high-impact preference datasets for LLM alignment.

NeurIPS Conference 2023 Conference Paper

Distribution-Free Model-Agnostic Regression Calibration via Nonparametric Methods

  • Shang Liu
  • Zhongze Cai
  • Xiaocheng Li

In this paper, we consider the uncertainty quantification problem for regression models. Specifically, we consider an individual calibration objective for characterizing the quantiles of the prediction model. While such an objective is well-motivated from downstream tasks such as newsvendor cost, the existing methods have been largely heuristic and lack of statistical guarantee in terms of individual calibration. We show via simple examples that the existing methods focusing on population-level calibration guarantees such as average calibration or sharpness can lead to harmful and unexpected results. We propose simple nonparametric calibration methods that are agnostic of the underlying prediction model and enjoy both computational efficiency and statistical consistency. Our approach enables a better understanding of the possibility of individual calibration, and we establish matching upper and lower bounds for the calibration error of our proposed methods. Technically, our analysis combines the nonparametric analysis with a covering number argument for parametric analysis, which advances the existing theoretical analyses in the literature of nonparametric density estimation and quantile bandit problems. Importantly, the nonparametric perspective sheds new theoretical insights into regression calibration in terms of the curse of dimensionality and reconciles the existing results on the impossibility of individual calibration. To our knowledge, we make the first effort to reach both individual calibration and finite-sample guarantee with minimal assumptions in terms of conformal prediction. Numerical experiments show the advantage of such a simple approach under various metrics, and also under covariates shift. We hope our work provides a simple benchmark and a starting point of theoretical ground for future research on regression calibration.

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