Jiaye Teng

Jiaye Teng, Chuan Wen, Dinghuai Zhang et al. · mila

Conformal prediction is a distribution-free technique for establishing valid prediction intervals. Although conventionally people conduct conformal prediction in the output space, this is not the only possibility. In this paper, we propose feature conformal prediction, which extends the scope of conformal prediction to semantic feature spaces by leveraging the inductive bias of deep representation learning. From a theoretical perspective, we demonstrate that feature conformal prediction provably outperforms regular conformal prediction under mild assumptions. Our approach could be combined with not only vanilla conformal prediction, but also other adaptive conformal prediction methods. Apart from experiments on existing predictive inference benchmarks, we also demonstrate the state-of-the-art performance of the proposed methods on large-scale tasks such as ImageNet classification and Cityscapes image segmentation.The code is available at \url{https://github.com/AlvinWen428/FeatureCP}.

Chuan Wen, Jianing Qian, Jierui Lin et al.

Across applications spanning supervised classification and sequential control, deep learning has been reported to find "shortcut" solutions that fail catastrophically under minor changes in the data distribution. In this paper, we show empirically that DNNs can be coaxed to avoid poor shortcuts by providing an additional "priming" feature computed from key input features, usually a coarse output estimate. Priming relies on approximate domain knowledge of these task-relevant key input features, which is often easy to obtain in practical settings. For example, one might prioritize recent frames over past frames in a video input for visual imitation learning, or salient foreground over background pixels for image classification. On NICO image classification, MuJoCo continuous control, and CARLA autonomous driving, our priming strategy works significantly better than several popular state-of-the-art approaches for feature selection and data augmentation. We connect these empirical findings to recent theoretical results on DNN optimization, and argue theoretically that priming distracts the optimizer away from poor shortcuts by creating better, simpler shortcuts.

Peiyuan Zhang, Jiaye Teng, Jingzhao Zhang

This work studies the generalization error of gradient methods. More specifically, we focus on how training steps $T$ and step-size $η$ might affect generalization in smooth stochastic convex optimization (SCO) problems. We first provide tight excess risk lower bounds for Gradient Descent (GD) and Stochastic Gradient Descent (SGD) under the general non-realizable smooth SCO setting, suggesting that existing stability analyses are tight in step-size and iteration dependence, and that overfitting provably happens. Next, we study the case when the loss is realizable, i.e. an optimal solution minimizes all the data points. Recent works show better rates can be attained but the improvement is reduced when training time is long. Our paper examines this observation by providing excess risk lower bounds for GD and SGD in two realizable settings: 1) $ηT = \bigO{n}$, and (2) $ηT = \bigOmega{n}$, where $n$ is the size of dataset. In the first case $ηT = \bigOmega{n}$, our lower bounds tightly match and certify the respective upper bounds. However, for the case $ηT = \bigOmega{n}$, our analysis indicates a gap between the lower and upper bounds. A conjecture is proposed that the gap can be closed by improving upper bounds, supported by analyses in two special scenarios.

Kaiyue Wen, Jiaye Teng, Jingzhao Zhang

Studies on benign overfitting provide insights for the success of overparameterized deep learning models. In this work, we examine whether overfitting is truly benign in real-world classification tasks. We start with the observation that a ResNet model overfits benignly on Cifar10 but not benignly on ImageNet. To understand why benign overfitting fails in the ImageNet experiment, we theoretically analyze benign overfitting under a more restrictive setup where the number of parameters is not significantly larger than the number of data points. Under this mild overparameterization setup, our analysis identifies a phase change: unlike in the previous heavy overparameterization settings, benign overfitting can now fail in the presence of label noise. Our analysis explains our empirical observations, and is validated by a set of control experiments with ResNets. Our work highlights the importance of understanding implicit bias in underfitting regimes as a future direction.

Haowei He, Jiaye Teng, Yang Yuan

Deep neural networks are known to be vulnerable to unseen data: they may wrongly assign high confidence stcores to out-distribuion samples. Recent works try to solve the problem using representation learning methods and specific metrics. In this paper, we propose a simple, yet effective post-hoc anomaly detection algorithm named Test Time Augmentation Anomaly Detection (TTA-AD), inspired by a novel observation. Specifically, we observe that in-distribution data enjoy more consistent predictions for its original and augmented versions on a trained network than out-distribution data, which separates in-distribution and out-distribution samples. Experiments on various high-resolution image benchmark datasets demonstrate that TTA-AD achieves comparable or better detection performance under dataset-vs-dataset anomaly detection settings with a 60%~90\% running time reduction of existing classifier-based algorithms. We provide empirical verification that the key to TTA-AD lies in the remaining classes between augmented features, which has long been partially ignored by previous works. Additionally, we use RUNS as a surrogate to analyze our algorithm theoretically.

Zihao Tang, Boyuan Wang, Chuan Wen et al.

Conformal prediction is widely adopted in uncertainty quantification, due to its post-hoc, distribution-free, and model-agnostic properties. In the realm of modern deep learning, researchers have proposed Feature Conformal Prediction (FCP), which deploys conformal prediction in a feature space, yielding reduced band lengths. However, the practical utility of FCP is limited due to the time-consuming non-linear operations required to transform confidence bands from feature space to output space. In this paper, we introduce Fast Feature Conformal Prediction (FFCP), which features a novel non-conformity score and is convenient for practical applications. FFCP serves as a fast version of FCP, in that it equivalently employs a Taylor expansion to approximate the aforementioned non-linear operations in FCP. Empirical validations showcase that FFCP performs comparably with FCP (both outperforming the vanilla version) while achieving a significant reduction in computational time by approximately 50x. The code is available at https://github.com/ElvisWang1111/FastFeatureCP

Wenquan Ma, Yang Sui, Jiaye Teng et al.

Algorithmic stability is among the most potent techniques in generalization analysis. However, its derivation usually requires a stepsize $η_t = \mathcal{O}(1/t)$ under non-convex training regimes, where $t$ denotes iterations. This rigid decay of the stepsize potentially impedes optimization and may not align with practical scenarios. In this paper, we derive the generalization bounds under the homogeneous neural network regimes, proving that this regime enables slower stepsize decay of order $Ω(1/\sqrt{t})$ under mild assumptions. We further extend the theoretical results from several aspects, e.g., non-Lipschitz regimes. This finding is broadly applicable, as homogeneous neural networks encompass fully-connected and convolutional neural networks with ReLU and LeakyReLU activations.

Huangyu Xu, Jingqin Yang, Qianqian Xu et al.

Sparse optimization is a fundamental challenge in various practical applications. A popular approach to sparse optimization is $\ell_p$ regularization. However, it may encounter optimization instability due to the unbounded gradients when $0<p<1$. In this paper, we introduce a novel approach to sparse optimization termed ReWA, based on Reparameterization, Weight decay, and Adaptive learning rate. ReWA is closely connected to $\ell_p$-regularization, yet it unveils a distinct optimization landscape that helps mitigate instability issues. Experiments on CIFAR-10 and ImageNet with ResNets demonstrate that ReWA leads to significant sparsity improvements over the $\ell_1$-regularization approach while preserving test accuracy.

Yizhou Min, Yizhou Lu, Lanqi Li et al.

Conformal prediction (CP) has become a cornerstone of distribution-free uncertainty quantification, conventionally evaluated by its coverage and interval length. This work critically examines the sufficiency of these standard metrics. We demonstrate that the interval length might be deceptively improved through a counter-intuitive approach termed Prejudicial Trick (PT), while the coverage remains valid. Specifically, for any given test sample, PT probabilistically returns an interval, which is either null or constructed using an adjusted confidence level, thereby preserving marginal coverage. While PT potentially yields a deceptively lower interval length, it introduces practical vulnerabilities: the same input can yield completely different prediction intervals across repeated runs of the algorithm. We formally derive the conditions under which PT achieves these misleading improvements and provides extensive empirical evidence across various regression and classification tasks. Furthermore, we introduce a new metric interval stability which helps detect whether a new CP method implicitly improves the length based on such PT-like techniques.

Tianqi Shen, Jinji Yang, Runze Shi et al.

Recently, Muon has gained substantial attention as an appealing alternative to Adam-like optimizers, with many works highlighting its advantages through spectral normalization and improved conditioning. Yet this positive theoretical narrative contrasts with its empirical performance in large language model (LLM) training, where Muon's gains over Adam/AdamW are often mixed, schedule-sensitive, and not uniformly superior. To address this gap, we develop a trajectory-level theory characterizing both the strengths and limitations of Muon. We introduce a mixed-spiked matrix sensing model whose sensing operator decomposes into signal, spike, and bulk components, capturing a mixture of anisotropic structure and long-tail information reminiscent of LLM training. On top of it, we adopted a river-valley perspective in which we view the landscape as composed of a river direction flowing to the desired solution and hill directions encoding nuisance or task-irrelevant information. In the momentum-free setting, we show that Muon moves faster along the information-bearing river direction during early optimization, but can converge much more slowly near the river bottom than gradient descent. We then extend the river-valley perspective to general nonconvex objectives with momentum by studying points on the spectral river. There, while Muon converges faster early on, its orthogonalized update removes residual scale information, making it prone to overshooting and oscillation near the target solution. Together, these results suggest that our characterizations extend beyond spiked matrix sensing and motivate switching to GD-like refinement optimizers in the final phase, rather than relying only on a fixed learning-rate schedule for Muon. We also provide preliminary evidence supporting this two-stage approach in language model training experiments.

Zhen Zhang, Xin Liu, Shaoli Wang et al.

Covariate shift occurs when the distribution of input features differs between the training and testing phases. In covariate shift, estimating an unknown function's moment is a classical problem that remains under-explored, despite its common occurrence in real-world scenarios. In this paper, we investigate the minimax lower bound of the problem when the source and target distributions are known. To achieve the minimax optimal bound (up to a logarithmic factor), we propose a two-stage algorithm. Specifically, it first trains an optimal estimator for the function under the source distribution, and then uses a likelihood ratio reweighting procedure to calibrate the moment estimator. In practice, the source and target distributions are typically unknown, and estimating the likelihood ratio may be unstable. To solve this problem, we propose a truncated version of the estimator that ensures double robustness and provide the corresponding upper bound. Extensive numerical studies on synthetic examples confirm our theoretical findings and further illustrate the effectiveness of our proposed method.

Chenzhuang Du, Jiaye Teng, Tingle Li et al.

We abstract the features (i.e. learned representations) of multi-modal data into 1) uni-modal features, which can be learned from uni-modal training, and 2) paired features, which can only be learned from cross-modal interactions. Multi-modal models are expected to benefit from cross-modal interactions on the basis of ensuring uni-modal feature learning. However, recent supervised multi-modal late-fusion training approaches still suffer from insufficient learning of uni-modal features on each modality. We prove that this phenomenon does hurt the model's generalization ability. To this end, we propose to choose a targeted late-fusion learning method for the given supervised multi-modal task from Uni-Modal Ensemble(UME) and the proposed Uni-Modal Teacher(UMT), according to the distribution of uni-modal and paired features. We demonstrate that, under a simple guiding strategy, we can achieve comparable results to other complex late-fusion or intermediate-fusion methods on various multi-modal datasets, including VGG-Sound, Kinetics-400, UCF101, and ModelNet40.

Jing Xu, Jiaye Teng, Yang Yuan et al.

One of the major open problems in machine learning is to characterize generalization in the overparameterized regime, where most traditional generalization bounds become inconsistent even for overparameterized linear regression. In many scenarios, this failure can be attributed to obscuring the crucial interplay between the training algorithm and the underlying data distribution. This paper demonstrate that the generalization behavior of overparameterized model should be analyzed in a both data-relevant and algorithm-relevant manner. To make a formal characterization, We introduce a notion called data-algorithm compatibility, which considers the generalization behavior of the entire data-dependent training trajectory, instead of traditional last-iterate analysis. We validate our claim by studying the setting of solving overparameterized linear regression with gradient descent. Specifically, we perform a data-dependent trajectory analysis and derive a sufficient condition for compatibility in such a setting. Our theoretical results demonstrate that if we take early stopping iterates into consideration, generalization can hold with significantly weaker restrictions on the problem instance than the previous last-iterate analysis.

Jiaye Teng, Jianhao Ma, Yang Yuan

Generalization is one of the fundamental issues in machine learning. However, traditional techniques like uniform convergence may be unable to explain generalization under overparameterization. As alternative approaches, techniques based on stability analyze the training dynamics and derive algorithm-dependent generalization bounds. Unfortunately, the stability-based bounds are still far from explaining the surprising generalization in deep learning since neural networks usually suffer from unsatisfactory stability. This paper proposes a novel decomposition framework to improve the stability-based bounds via a more fine-grained analysis of the signal and noise, inspired by the observation that neural networks converge relatively slowly when fitting noise (which indicates better stability). Concretely, we decompose the excess risk dynamics and apply the stability-based bound only on the noise component. The decomposition framework performs well in both linear regimes (overparameterized linear regression) and non-linear regimes (diagonal matrix recovery). Experiments on neural networks verify the utility of the decomposition framework.

Jiaye Teng, Zeren Tan, Yang Yuan

It is challenging to deal with censored data, where we only have access to the incomplete information of survival time instead of its exact value. Fortunately, under linear predictor assumption, people can obtain guaranteed coverage for the confidence band of survival time using methods like Cox Regression. However, when relaxing the linear assumption with neural networks (e.g., Cox-MLP (Katzman et al., 2018; Kvamme et al., 2019)), we lose the guaranteed coverage. To recover the guaranteed coverage without linear assumption, we propose two algorithms based on conformal inference. In the first algorithm WCCI, we revisit weighted conformal inference and introduce a new non-conformity score based on partial likelihood. We then propose a two-stage algorithm T-SCI, where we run WCCI in the first stage and apply quantile conformal inference to calibrate the results in the second stage. Theoretical analysis shows that T-SCI returns guaranteed coverage under milder assumptions than WCCI. We conduct extensive experiments on synthetic data and real data using different methods, which validate our analysis.

Jiaye Teng, Weiran Huang, Haowei He

Pretext-based self-supervised learning learns the semantic representation via a handcrafted pretext task over unlabeled data and then uses the learned representation for downstream tasks, which effectively reduces the sample complexity of downstream tasks under Conditional Independence (CI) condition. However, the downstream sample complexity gets much worse if the CI condition does not hold. One interesting question is whether we can make the CI condition hold by using downstream data to refine the unlabeled data to boost self-supervised learning. At first glance, one might think that seeing downstream data in advance would always boost the downstream performance. However, we show that it is not intuitively true and point out that in some cases, it hurts the final performance instead. In particular, we prove both model-free and model-dependent lower bounds of the number of downstream samples used for data refinement. Moreover, we conduct various experiments on both synthetic and real-world datasets to verify our theoretical results.

Jiaye Teng, Yang Yuan

Due to its strong interpretability, linear regression is widely used in social science, from which significance test provides the significance level of models or coefficients in the traditional statistical inference. However, linear regression methods rely on the linear assumptions of the ground truth function, which do not necessarily hold in practice. As a result, even for simple non-linear cases, linear regression may fail to report the correct significance level. In this paper, we present a simple and effective assumption-free method for linear approximation in both linear and non-linear scenarios. First, we apply a machine learning method to fit the ground truth function on the training set and calculate its linear approximation. Afterward, we get the estimator by adding adjustments based on the validation set. We prove the concentration inequalities and asymptotic properties of our estimator, which leads to the corresponding significance test. Experimental results show that our estimator significantly outperforms linear regression for non-linear ground truth functions, indicating that our estimator might be a better tool for the significance test.