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Zhen Lin

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9 papers

1 author row

TMLR Journal 2024 Journal Article

Generating with Confidence: Uncertainty Quantification for Black-box Large Language Models

Zhen Lin
Shubhendu Trivedi
Jimeng Sun

Large language models (LLMs) specializing in natural language generation (NLG) have recently started exhibiting promising capabilities across a variety of domains. However, gauging the trustworthiness of responses generated by LLMs remains an open challenge, with limited research on uncertainty quantification (UQ) for NLG. Furthermore, existing literature typically assumes white-box access to language models, which is becoming unrealistic either due to the closed-source nature of the latest LLMs or computational constraints. In this work, we investigate UQ in NLG for *black-box* LLMs. We first differentiate *uncertainty* vs *confidence*: the former refers to the ``dispersion'' of the potential predictions for a fixed input, and the latter refers to the confidence on a particular prediction/generation. We then propose and compare several confidence/uncertainty measures, applying them to *selective NLG* where unreliable results could either be ignored or yielded for further assessment. Experiments were carried out with several popular LLMs on question-answering datasets (for evaluation purposes). Results reveal that a simple measure for the semantic dispersion can be a reliable predictor of the quality of LLM responses, providing valuable insights for practitioners on uncertainty management when adopting LLMs.

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NeurIPS Conference 2023 Conference Paper

CoDrug: Conformal Drug Property Prediction with Density Estimation under Covariate Shift

Siddhartha Laghuvarapu
Zhen Lin
Jimeng Sun

In drug discovery, it is vital to confirm the predictions of pharmaceutical properties from computational models using costly wet-lab experiments. Hence, obtaining reliable uncertainty estimates is crucial for prioritizing drug molecules for subsequent experimental validation. Conformal Prediction (CP) is a promising tool for creating such prediction sets for molecular properties with a coverage guarantee. However, the exchangeability assumption of CP is often challenged with covariate shift in drug discovery tasks: Most datasets contain limited labeled data, which may not be representative of the vast chemical space from which molecules are drawn. To address this limitation, we propose a method called CoDrug that employs an energy-based model leveraging both training data and unlabelled data, and Kernel Density Estimation (KDE) to assess the densities of a molecule set. The estimated densities are then used to weigh the molecule samples while building prediction sets and rectifying for distribution shift. In extensive experiments involving realistic distribution drifts in various small-molecule drug discovery tasks, we demonstrate the ability of CoDrug to provide valid prediction sets and its utility in addressing the distribution shift arising from de novo drug design models. On average, using CoDrug can reduce the coverage gap by over 35% when compared to conformal prediction sets not adjusted for covariate shift.

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TMLR Journal 2022 Journal Article

Conformal Prediction Intervals with Temporal Dependence

Zhen Lin
Shubhendu Trivedi
Jimeng Sun

Cross-sectional prediction is common in many domains such as healthcare, including forecasting tasks using electronic health records, where different patients form a cross-section. We focus on the task of constructing valid prediction intervals (PIs) in time series regression with a cross-section. A prediction interval is considered valid if it covers the true response with (a pre-specified) high probability. We first distinguish between two notions of validity in such a setting: cross-sectional and longitudinal. Cross-sectional validity is concerned with validity across the cross-section of the time series data, while longitudinal validity accounts for the temporal dimension. Coverage guarantees along both these dimensions are ideally desirable; however, we show that distribution-free longitudinal validity is theoretically impossible. Despite this limitation, we propose Conformal Prediction with Temporal Dependence (CPTD), a procedure that is able to maintain strict cross-sectional validity while improving longitudinal coverage. CPTD is post-hoc and light-weight, and can easily be used in conjunction with any prediction model as long as a calibration set is available. We focus on neural networks due to their ability to model complicated data such as diagnosis codes for time series regression, and perform extensive experimental validation to verify the efficacy of our approach. We find that CPTD outperforms baselines on a variety of datasets by improving longitudinal coverage and often providing more efficient (narrower) PIs.

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NeurIPS Conference 2022 Conference Paper

Conformal Prediction with Temporal Quantile Adjustments

Zhen Lin
Shubhendu Trivedi
Jimeng Sun

We develop Temporal Quantile Adjustment (TQA), a general method to construct efficient and valid prediction intervals (PIs) for regression on cross-sectional time series data. Such data is common in many domains, including econometrics and healthcare. A canonical example in healthcare is predicting patient outcomes using physiological time-series data, where a population of patients composes a cross-section. Reliable PI estimators in this setting must address two distinct notions of coverage: cross-sectional coverage across a cross-sectional slice, and longitudinal coverage along the temporal dimension for each time series. Recent works have explored adapting Conformal Prediction (CP) to obtain PIs in the time series context. However, none handles both notions of coverage simultaneously. CP methods typically query a pre-specified quantile from the distribution of nonconformity scores on a calibration set. TQA adjusts the quantile to query in CP at each time $t$, accounting for both cross-sectional and longitudinal coverage in a theoretically-grounded manner. The post-hoc nature of TQA facilitates its use as a general wrapper around any time series regression model. We validate TQA's performance through extensive experimentation: TQA generally obtains efficient PIs and improves longitudinal coverage while preserving cross-sectional coverage.

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AAAI Conference 2022 Conference Paper

SCRIB: Set-Classifier with Class-Specific Risk Bounds for Blackbox Models

Zhen Lin
Lucas Glass
M. Brandon Westover
Cao Xiao
Jimeng Sun

Despite deep learning (DL) success in classification problems, DL classifiers do not provide a sound mechanism to decide when to refrain from predicting. Recent works tried to control the overall prediction risk with classification with rejection options. However, existing works overlook the different significance of different classes. We introduce Set-classifier with Class-specific RIsk Bounds (SCRIB) to tackle this problem, assigning multiple labels to each example. Given the output of a black-box model on the validation set, SCRIB constructs a set-classifier that controls the class-specific prediction risks. The key idea is to reject when the set classifier returns more than one label. We validated SCRIB on several medical applications, including sleep staging on electroencephalogram (EEG) data, X-ray COVID image classification, and atrial fibrillation detection based on electrocardiogram (ECG) data. SCRIB obtained desirable class-specific risks, which are 35%- 88% closer to the target risks than baseline methods.

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NeurIPS Conference 2021 Conference Paper

Locally Valid and Discriminative Prediction Intervals for Deep Learning Models

Zhen Lin
Shubhendu Trivedi
Jimeng Sun

Crucial for building trust in deep learning models for critical real-world applications is efficient and theoretically sound uncertainty quantification, a task that continues to be challenging. Useful uncertainty information is expected to have two key properties: It should be valid (guaranteeing coverage) and discriminative (more uncertain when the expected risk is high). Moreover, when combined with deep learning (DL) methods, it should be scalable and affect the DL model performance minimally. Most existing Bayesian methods lack frequentist coverage guarantees and usually affect model performance. The few available frequentist methods are rarely discriminative and/or violate coverage guarantees due to unrealistic assumptions. Moreover, many methods are expensive or require substantial modifications to the base neural network. Building upon recent advances in conformal prediction [13, 33] and leveraging the classical idea of kernel regression, we propose Locally Valid and Discriminative prediction intervals (LVD), a simple, efficient, and lightweight method to construct discriminative prediction intervals (PIs) for almost any DL model. With no assumptions on the data distribution, such PIs also offer finite-sample local coverage guarantees (contrasted to the simpler marginal coverage). We empirically verify, using diverse datasets, that besides being the only locally valid method for DL, LVD also exceeds or matches the performance (including coverage rate and prediction accuracy) of existing uncertainty quantification methods, while offering additional benefits in scalability and flexibility.

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NeurIPS Conference 2019 Conference Paper

In-Place Zero-Space Memory Protection for CNN

Hui Guan
Lin Ning
Zhen Lin
Xipeng Shen
Huiyang Zhou
Seung-Hwan Lim

Convolutional Neural Networks (CNN) are being actively explored for safety-critical applications such as autonomous vehicles and aerospace, where it is essential to ensure the reliability of inference results in the presence of possible memory faults. Traditional methods such as error correction codes (ECC) and Triple Modular Redundancy (TMR) are CNN-oblivious and incur substantial memory overhead and energy cost. This paper introduces in-place zero-space ECC assisted with a new training scheme weight distribution-oriented training. The new method provides the first known zero space cost memory protection for CNNs without compromising the reliability offered by traditional ECC.

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NeurIPS Conference 2018 Conference Paper

Clebsch–Gordan Nets: a Fully Fourier Space Spherical Convolutional Neural Network

Risi Kondor
Zhen Lin
Shubhendu Trivedi

Recent work by Cohen et al. has achieved state-of-the-art results for learning spherical images in a rotation invariant way by using ideas from group representation theory and noncommutative harmonic analysis. In this paper we propose a generalization of this work that generally exhibits improved performace, but from an implementation point of view is actually simpler. An unusual feature of the proposed architecture is that it uses the Clebsch--Gordan transform as its only source of nonlinearity, thus avoiding repeated forward and backward Fourier transforms. The underlying ideas of the paper generalize to constructing neural networks that are invariant to the action of other compact groups.

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AAAI Conference 2014 Conference Paper

Context-Aware Collaborative Topic Regression with Social Matrix Factorization for Recommender Systems

Chaochao Chen
Xiaolin Zheng
Yan Wang
Fuxing Hong
Zhen Lin

Online social networking sites have become popular platforms on which users can link with each other and share information, not only basic rating information but also information such as contexts, social relationships, and item contents. However, as far as we know, no existing works systematically combine diverse types of information to build more accurate recommender systems. In this paper, we propose a novel context-aware hierarchical Bayesian method. First, we propose the use of spectral clustering for user-item subgrouping, so that users and items in similar contexts are grouped. We then propose a novel hierarchical Bayesian model that can make predictions for each user-item subgroup, our model incorporate not only topic modeling to mine item content but also social matrix factorization to handle ratings and social relationships. Experiments on an Epinions dataset show that our method significantly improves recommendation performance compared with six categories of state-of-the-art recommendation methods in terms of both prediction accuracy and recall. We have also conducted experiments to study the extent to which ratings, contexts, social relationships, and item contents contribute to recommendation performance in terms of prediction accuracy and recall.

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