Large language models (LLMs) have demonstrated remarkable capabilities, but their outputs can sometimes be unreliable or factually incorrect. To address this, we introduce Self Logits Evolution Decoding (SLED), a novel decoding framework that enhances the truthfulness of LLMs without relying on external knowledge bases or requiring further fine-tuning. From an optimization perspective, our SLED framework leverages the latent knowledge embedded within the LLM by contrasting the output logits from the final layer with those from early layers. It then utilizes an approximate gradient approach to enable latent knowledge to guide the self-refinement of outputs, thereby effectively improving factual accuracy. Extensive experiments have been conducted on established benchmarks across a diverse range of model families (LLaMA 2, LLaMA 3, Gemma) and scales (from 2B to 70B), including more advanced architectural configurations such as the mixture of experts (MoE). Our evaluation spans a wide variety of tasks, including multi-choice, open-generation, and adaptations to chain-of-thought reasoning tasks. The results demonstrate that SLED consistently improves factual accuracy by up to 20\% compared to existing decoding methods while maintaining natural language fluency and negligible latency overhead. Furthermore, it can be flexibly combined with other decoding methods to further enhance their performance.

Mode estimation is a classical problem in statistics with a wide range of applications in machine learning. Despite this, there is little understanding in its robustness properties under possibly adversarial data contamination. In this paper, we give precise robustness guarantees as well as privacy guarantees under simple randomization. We then introduce a theory for multi-armed bandits where the values are the modes of the reward distributions instead of the mean. We prove regret guarantees for the problems of top arm identification, top m-arms identification, contextual modal bandits, and infinite continuous arms top arm recovery. We show in simulations that our algorithms are robust to perturbation of the arms by adversarial noise sequences, thus rendering modal bandits an attractive choice in situations where the rewards may have outliers or adversarial corruptions.

Learning under one-sided feedback (i.e., where we only observe the labels for examples we predicted positively on) is a fundamental problem in machine learning – applications include lending and recommendation systems. Despite this, there has been surprisingly little progress made in ways to mitigate the effects of the sampling bias that arises. We focus on generalized linear models and show that without adjusting for this sampling bias, the model may converge suboptimally or even fail to converge to the optimal solution. We propose an adaptive approach that comes with theoretical guarantees and show that it outperforms several existing methods empirically. Our method leverages variance estimation techniques to efficiently learn under uncertainty, offering a more principled alternative compared to existing approaches.

We study a constrained contextual linear bandit setting, where the goal of the agent is to produce a sequence of policies, whose expected cumulative reward over the course of multiple rounds is maximum, and each one of them has an expected cost below a certain threshold. We propose an upper-confidence bound algorithm for this problem, called optimistic pessimistic linear bandit (OPLB), and prove a sublinear bound on its regret that is inversely proportional to the difference between the constraint threshold and the cost of a known feasible action. Our algorithm balances exploration and constraint satisfaction using a novel idea that scales the radii of the reward and cost confidence sets with different scaling factors. We further specialize our results to multi-armed bandits and propose a computationally efficient algorithm for this setting and prove a a regret bound that is better than simply casting multi-armed bandits as an instance of linear bandits and using the regret bound of OPLB. We also prove a lower-bound for the problem studied in the paper and provide simulations to validate our theoretical results. Finally, we show how our algorithm and analysis can be extended to multiple constraints and to the case when the cost of the feasible action is unknown.

MeanShift is a popular mode-seeking clustering algorithm used in a wide range of applications in machine learning. However, it is known to be prohibitively slow, with quadratic runtime per iteration. We propose MeanShift++, an extremely fast mode-seeking algorithm based on MeanShift that uses a grid-based approach to speed up the mean shift step, replacing the computationally expensive neighbors search with a density-weighted mean of adjacent grid cells. In addition, we show that this grid-based technique for density estimation comes with theoretical guarantees. The runtime is linear in the number of points and exponential in dimension, which makes MeanShift++ ideal on lowdimensional applications such as image segmentation and object tracking. We provide extensive experimental analysis showing that MeanShift++ can be more than 10,000x faster than MeanShift with competitive clustering results on benchmark datasets and nearly identical image segmentations as MeanShift. Finally, we show promising results for object tracking.

Training modern neural networks is an inherently noisy process that can lead to high \emph{prediction churn}– disagreements between re-trainings of the same model due to factors such as randomization in the parameter initialization and mini-batches– even when the trained models all attain similar accuracies. Such prediction churn can be very undesirable in practice. In this paper, we present several baselines for reducing churn and show that training on soft labels obtained by adaptively smoothing each example’s label based on the example’s neighboring labels often outperforms the baselines on churn while improving accuracy on a variety of benchmark classification tasks and model architectures.

We analyze the problem of active covering, where the learner is given an unlabeled dataset and can sequentially label query examples. The objective is to label query all of the positive examples in the fewest number of total label queries. We show under standard non-parametric assumptions that a classical support estimator can be repurposed as an offline algorithm attaining an excess query cost of $\widetilde{\Theta}(n^{D/(D+1)})$ compared to the optimal learner, where $n$ is the number of datapoints and $D$ is the dimension. We then provide a simple active learning method that attains an improved excess query cost of $\widetilde{O}(n^{(D-1)/D})$. Furthermore, the proposed algorithms only require access to the positive labeled examples, which in certain settings provides additional computational and privacy benefits. Finally, we show that the active learning method consistently outperforms offline methods as well as a variety of baselines on a wide range of benchmark image-based datasets.

The goal of active learning is to select the best examples from an unlabeled pool of data to label to improve a model trained with the addition of these labeled examples. We discuss a real-world use case for batch active sampling that works at larger scales. The standard margin algorithm has repeatedly been shown difficult to beat in practice for the classic active sampling set-up, but for larger batches and candidate pools, we show that margin sampling may not provide enough diversity. We present a simple variant of margin sampling for the batch setting that scores candidate samples by their minimum margin to a set of bootstrapped margins, and explain how this proposal increases diversity in a supervised and efficient way, and why it differs from the usual ensemble methods for active sampling. Experiments on benchmark datasets show that the proposed min-margin sampling consistently works better than margin as the batch size grows, and better than the five other diversity-encouraging active sampling methods we tested. Two real-world case studies illustrate the practical value, and help highlight challenges of applying and deploying batch active sampling.

We propose a general approach to fairness based on transporting distributions corresponding to different sensitive attributes to a common distribution. We use optimal transport theory to derive target distributions and methods that allow us to achieve fairness with minimal changes to the unfair model. Our approach is applicable to both classification and regression problems, can enforce different notions of fairness, and enable us to achieve a Pareto-optimal trade-off between accuracy and fairness. We demonstrate that it outperforms previous approaches in several benchmark fairness datasets.

Datasets often contain biases which unfairly disadvantage certain groups, and classifiers trained on such datasets can inherit these biases. In this paper, we provide a mathematical formulation of how this bias can arise. We do so by assuming the existence of underlying, unknown, and unbiased labels which are overwritten by an agent who intends to provide accurate labels but may have biases against certain groups. Despite the fact that we only observe the biased labels, we are able to show that the bias may nevertheless be corrected by re-weighting the data points without changing the labels. We show, with theoretical guarantees, that training on the re-weighted dataset corresponds to training on the unobserved but unbiased labels, thus leading to an unbiased machine learning classifier. Our procedure is fast and robust and can be used with virtually any learning algorithm. We evaluate on a number of standard machine learning fairness datasets and a variety of fairness notions, finding that our method outperforms standard approaches in achieving fair classification.

Modern machine learning models are often trained on examples with noisy labels that hurt performance and are hard to identify. In this paper, we provide an empirical study showing that a simple $k$-nearest neighbor-based filtering approach on the logit layer of a preliminary model can remove mislabeled training data and produce more accurate models than many recently proposed methods. We also provide new statistical guarantees into its efficacy.

DBSCAN is a popular density-based clustering algorithm. It computes the $\epsilon$-neighborhood graph of a dataset and uses the connected components of the high-degree nodes to decide the clusters. However, the full neighborhood graph may be too costly to compute with a worst-case complexity of $O(n^2)$. In this paper, we propose a simple variant called SNG-DBSCAN, which clusters based on a subsampled $\epsilon$-neighborhood graph, only requires access to similarity queries for pairs of points and in particular avoids any complex data structures which need the embeddings of the data points themselves. The runtime of the procedure is $O(sn^2)$, where $s$ is the sampling rate. We show under some natural theoretical assumptions that $s \approx \log n/n$ is sufficient for statistical cluster recovery guarantees leading to an $O(n\log n)$ complexity. We provide an extensive experimental analysis showing that on large datasets, one can subsample as little as $0.1\%$ of the neighborhood graph, leading to as much as over 200x speedup and 250x reduction in RAM consumption compared to scikit-learn's implementation of DBSCAN, while still maintaining competitive clustering performance.

We derive high-probability finite-sample uniform rates of consistency for k-NN regression that are optimal up to logarithmic factors under mild assumptions. We moreover show that k-NN regression adapts to an unknown lower intrinsic dimension automatically in the sup-norm. We then apply the k-NN regression rates to establish new results about estimating the level sets and global maxima of a function from noisy observations.

Despite the practical relevance of density-based clustering algorithms, there is little understanding in its statistical robustness properties under possibly adversarial contamination of the input data. We show both robustness and consistency guarantees for a simple modification of the popular DBSCAN algorithm. We then give experimental results which suggest that this method may be relevant in practice.

In recent years, constrained optimization has become increasingly relevant to the machine learning community, with applications including Neyman-Pearson classification, robust optimization, and fair machine learning. A natural approach to constrained optimization is to optimize the Lagrangian, but this is not guaranteed to work in the non-convex setting, and, if using a first-order method, cannot cope with non-differentiable constraints (e.g. constraints on rates or proportions). The Lagrangian can be interpreted as a two-player game played between a player who seeks to optimize over the model parameters, and a player who wishes to maximize over the Lagrange multipliers. We propose a non-zero-sum variant of the Lagrangian formulation that can cope with non-differentiable—even discontinuous—constraints, which we call the “proxy-Lagrangian”. The first player minimizes external regret in terms of easy-to-optimize “proxy constraints”, while the second player enforces the \emph{original} constraints by minimizing swap regret. For this new formulation, as for the Lagrangian in the non-convex setting, the result is a stochastic classifier. For both the proxy-Lagrangian and Lagrangian formulations, however, we prove that this classifier, instead of having unbounded size, can be taken to be a distribution over no more than $m+1$ models (where $m$ is the number of constraints). This is a significant improvement in practical terms.

Set functions predict a label from a permutation-invariant variable-size collection of feature vectors. We propose making set functions more understandable and regularized by capturing domain knowledge through shape constraints. We show how prior work in monotonic constraints can be adapted to set functions, and then propose two new shape constraints designed to generalize the conditioning role of weights in a weighted mean. We show how one can train standard functions and set functions that satisfy these shape constraints with a deep lattice network. We propose a nonlinear estimation strategy we call the semantic feature engine that uses set functions with the proposed shape constraints to estimate labels for compound sparse categorical features. Experiments on real-world data show the achieved accuracy is similar to deep sets or deep neural networks, but provides guarantees on the model behavior, which makes it easier to explain and debug.

Classifiers can be trained with data-dependent constraints to satisfy fairness goals, reduce churn, achieve a targeted false positive rate, or other policy goals. We study the generalization performance for such constrained optimization problems, in terms of how well the constraints are satisfied at evaluation time, given that they are satisfied at training time. To improve generalization, we frame the problem as a two-player game where one player optimizes the model parameters on a training dataset, and the other player enforces the constraints on an independent validation dataset. We build on recent work in two-player constrained optimization to show that if one uses this two-dataset approach, then constraint generalization can be significantly improved. As we illustrate experimentally, this approach works not only in theory, but also in practice.

DBSCAN is a classical density-based clustering procedure with tremendous practical relevance. However, DBSCAN implicitly needs to compute the empirical density for each sample point, leading to a quadratic worst-case time complexity, which is too slow on large datasets. We propose DBSCAN++, a simple modification of DBSCAN which only requires computing the densities for a chosen subset of points. We show empirically that, compared to traditional DBSCAN, DBSCAN++ can provide not only competitive performance but also added robustness in the bandwidth hyperparameter while taking a fraction of the runtime. We also present statistical consistency guarantees showing the trade-off between computational cost and estimation rates. Surprisingly, up to a certain point, we can enjoy the same estimation rates while lowering computational cost, showing that DBSCAN++ is a sub-quadratic algorithm that attains minimax optimal rates for level-set estimation, a quality that may be of independent interest.

We show that many machine learning goals can be expressed as “rate constraints” on a model's predictions. We study the problem of training non-convex models subject to these rate constraints (or other non-convex or non-differentiable constraints). In the non-convex setting, the standard approach of Lagrange multipliers may fail. Furthermore, if the constraints are non-differentiable, then one cannot optimize the Lagrangian with gradient-based methods. To solve these issues, we introduce a new “proxy-Lagrangian” formulation. This leads to an algorithm that, assuming access to an optimization oracle, produces a stochastic classifier by playing a two-player non-zero-sum game solving for what we call a semi-coarse correlated equilibrium, which in turn corresponds to an approximately optimal and feasible solution to the constrained optimization problem. We then give a procedure that shrinks the randomized solution down to a mixture of at most $m+1$ deterministic solutions, given $m$ constraints. This culminates in a procedure that can solve non-convex constrained optimization problems with possibly non-differentiable and non-convex constraints, and enjoys theoretical guarantees. We provide extensive experimental results covering a broad range of policy goals, including various fairness metrics, accuracy, coverage, recall, and churn.

We analyze the K-armed bandit problem where the reward for each arm is a noisy realization based on an observed context under mild nonparametric assumptions.We attain tight results for top-arm identification and a sublinear regret of Õ(T1+D/(2+D), where D is the context dimension, for a modified UCB algorithm that is simple to implement. We then give global intrinsic dimension dependent and ambient dimension independent regret bounds. We also discuss recovering topological structures within the context space based on expected bandit performance and provide an extension to infinite-armed contextual bandits. Finally, we experimentally show the improvement of our algorithm over existing approaches for both simulated tasks and MNIST image classification.

We provide initial seedings to the Quick Shift clustering algorithm, which approximate the locally high-density regions of the data. Such seedings act as more stable and expressive cluster-cores than the singleton modes found by Quick Shift. We establish statistical consistency guarantees for this modification. We then show strong clustering performance on real datasets as well as promising applications to image segmentation.

Knowing when a classifier's prediction can be trusted is useful in many applications and critical for safely using AI. While the bulk of the effort in machine learning research has been towards improving classifier performance, understanding when a classifier's predictions should and should not be trusted has received far less attention. The standard approach is to use the classifier's discriminant or confidence score; however, we show there exists an alternative that is more effective in many situations. We propose a new score, called the {\it trust score}, which measures the agreement between the classifier and a modified nearest-neighbor classifier on the testing example. We show empirically that high (low) trust scores produce surprisingly high precision at identifying correctly (incorrectly) classified examples, consistently outperforming the classifier's confidence score as well as many other baselines. Further, under some mild distributional assumptions, we show that if the trust score for an example is high (low), the classifier will likely agree (disagree) with the Bayes-optimal classifier. Our guarantees consist of non-asymptotic rates of statistical consistency under various nonparametric settings and build on recent developments in topological data analysis.

We present a procedure that can estimate – with statistical consistency guarantees – any local-maxima of a density, under benign distributional conditions. The procedure estimates all such local maxima, or modal-sets, of any bounded shape or dimension, including usual point-modes. In practice, modal-sets can arise as dense low-dimensional structures in noisy data, and more generally serve to better model the rich variety of locally dense structures in data. The procedure is then shown to be competitive on clustering applications, and moreover is quite stable to a wide range of settings of its tuning parameter.

We show that DBSCAN can estimate the connected components of the $\lambda$-density level set $\{ x : f(x) \ge \lambda\}$ given $n$ i.i.d. samples from an unknown density $f$. We characterize the regularity of the level set boundaries using parameter $\beta > 0$ and analyze the estimation error under the Hausdorff metric. When the data lies in $\mathbb{R}^D$ we obtain a rate of $\widetilde{O}(n^{-1/(2\beta + D)})$, which matches known lower bounds up to logarithmic factors. When the data lies on an embedded unknown $d$-dimensional manifold in $\mathbb{R}^D$, then we obtain a rate of $\widetilde{O}(n^{-1/(2\beta + d\cdot \max\{1, \beta \})})$. Finally, we provide adaptive parameter tuning in order to attain these rates with no a priori knowledge of the intrinsic dimension, density, or $\beta$.

Kernel density estimation (KDE) is a popular nonparametric density estimation method. We (1) derive finite-sample high-probability density estimation bounds for multivariate KDE under mild density assumptions which hold uniformly in $x \in \mathbb{R}^d$ and bandwidth matrices. We apply these results to (2) mode, (3) density level set, and (4) class probability estimation and attain optimal rates up to logarithmic factors. We then (5) provide an extension of our results under the manifold hypothesis. Finally, we (6) give uniform convergence results for local intrinsic dimension estimation.

Quick Shift is a popular mode-seeking and clustering algorithm. We present finite sample statistical consistency guarantees for Quick Shift on mode and cluster recovery under mild distributional assumptions. We then apply our results to construct a consistent modal regression algorithm.