We present the problem of inverse constraint learning (ICL), which recovers constraints from demonstrations to autonomously reproduce constrained skills in new scenarios. However, ICL suffers from an ill-posed nature, leading to inaccurate inference of constraints from demonstrations. To figure it out, we introduce a transferable constraint learning (TCL) algorithm that jointly infers a task-oriented reward and a task-agnostic constraint, enabling the generalization of learned skills. Our method TCL additively decomposes the overall reward into a task reward and its residual as soft constraints, maximizing policy divergence between task- and constraint-oriented policies to obtain a transferable constraint. Evaluating our method and five baselines in three simulated environments, we show TCL outperforms state-of-the-art IRL and ICL algorithms, achieving up to a $72\%$ higher task-success rates with accurate decomposition compared to the next best approach in novel scenarios. Further, we demonstrate the robustness of TCL on two real-world robotic tasks.

Data shift is a phenomenon present in many real-world applications, and while there are multiple methods attempting to detect shifts, the task of localizing and correcting the features originating such shifts has not been studied in depth. Feature shifts can occur in many datasets, including in multi-sensor data, where some sensors are malfunctioning, or in tabular and structured data, including biomedical, financial, and survey data, where faulty standardization and data processing pipelines can lead to erroneous features. In this work, we explore using the principles of adversarial learning, where the information from several discriminators trained to distinguish between two distributions is used to both detect the corrupted features and fix them in order to remove the distribution shift between datasets. We show that mainstream supervised classifiers, such as random forest or gradient boosting trees, combined with simple iterative heuristics, can localize and correct feature shifts, outperforming current statistical and neural network-based techniques. The code is available at //github.com/AI-sandbox/DataFix.

We introduce a \emph{gain function} viewpoint of information leakage by proposing \emph{maximal $g$-leakage}, a rich class of operationally meaningful leakage measures that subsumes recently introduced leakage measures -- {maximal leakage} and {maximal $\alpha$-leakage}. In maximal $g$-leakage, the gain of an adversary in guessing an unknown random variable is measured using a {gain function} applied to the probability of correctly guessing. In particular, maximal $g$-leakage captures the multiplicative increase, upon observing $Y$, in the expected gain of an adversary in guessing a randomized function of $X$, maximized over all such randomized functions. We also consider the scenario where an adversary can make multiple attempts to guess the randomized function of interest. We show that maximal leakage is an upper bound on maximal $g$-leakage under multiple guesses, for any non-negative gain function $g$. We obtain a closed-form expression for maximal $g$-leakage under multiple guesses for a class of concave gain functions. We also study maximal $g$-leakage measure for a specific class of gain functions related to the $\alpha$-loss. In particular, we first completely characterize the minimal expected $\alpha$-loss under multiple guesses and analyze how the corresponding leakage measure is affected with the number of guesses. Finally, we study two variants of maximal $g$-leakage depending on the type of adversary and obtain closed-form expressions for them, which do not depend on the particular gain function considered as long as it satisfies some mild regularity conditions. We do this by developing a variational characterization for the R\'{e}nyi divergence of order infinity which naturally generalizes the definition of pointwise maximal leakage to incorporate arbitrary gain functions.

In 2023, Kuznetsov and Speranski introduced infinitary action logic with multiplexing $!^m\nabla \mathrm{ACT}_\omega$ and proved that the derivability problem for it lies between the $\omega$ and $\omega^\omega$ levels of the hyperarithmetical hierarchy. We prove that this problem is $\Delta^0_{\omega^\omega}$-complete under Turing reductions. Namely, we prove that it is recursively isomorphic to the satisfaction predicate for computable infinitary formulas of rank less than $\omega^\omega$ in the language of arithmetic. We also prove this result for the fragment of $!^m\nabla \mathrm{ACT}_\omega$ where Kleene star is not allowed to be in the scope of the subexponential. Finally, we present a family of logics, which are fragments of $!^m\nabla \mathrm{ACT}_\omega$, such that the complexity of the $k$-th logic is between $\Delta^0_{\omega^k}$ and $\Delta^0_{\omega^{k+1}}$.

We present a performant, general-purpose gradient-guided nested sampling algorithm, ${\tt GGNS}$, combining the state of the art in differentiable programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested sampling, and parallelization. This unique combination allows ${\tt GGNS}$ to scale well with dimensionality and perform competitively on a variety of synthetic and real-world problems. We also show the potential of combining nested sampling with generative flow networks to obtain large amounts of high-quality samples from the posterior distribution. This combination leads to faster mode discovery and more accurate estimates of the partition function.

We propose a new framework to design and analyze accelerated methods that solve general monotone equation (ME) problems $F(x)=0$. Traditional approaches include generalized steepest descent methods and inexact Newton-type methods. If $F$ is uniformly monotone and twice differentiable, these methods achieve local convergence rates while the latter methods are globally convergent thanks to line search and hyperplane projection. However, a global rate is unknown for these methods. The variational inequality methods can be applied to yield a global rate that is expressed in terms of $\|F(x)\|$ but these results are restricted to first-order methods and a Lipschitz continuous operator. It has not been clear how to obtain global acceleration using high-order Lipschitz continuity. This paper takes a continuous-time perspective where accelerated methods are viewed as the discretization of dynamical systems. Our contribution is to propose accelerated rescaled gradient systems and prove that they are equivalent to closed-loop control systems. Based on this connection, we establish the properties of solution trajectories. Moreover, we provide a unified algorithmic framework obtained from discretization of our system, which together with two approximation subroutines yields both existing high-order methods and new first-order methods. We prove that the $p^{th}$-order method achieves a global rate of $O(k^{-p/2})$ in terms of $\|F(x)\|$ if $F$ is $p^{th}$-order Lipschitz continuous and the first-order method achieves the same rate if $F$ is $p^{th}$-order strongly Lipschitz continuous. If $F$ is strongly monotone, the restarted versions achieve local convergence with order $p$ when $p \geq 2$. Our discrete-time analysis is largely motivated by the continuous-time analysis and demonstrates the fundamental role that rescaled gradients play in global acceleration for solving ME problems.

We study range spaces, where the ground set consists of either polygonal curves in $\mathbb{R}^d$ or polygonal regions in the plane that may contain holes and the ranges are balls defined by an elastic distance measure, such as the Hausdorff distance, the Fr\'echet distance and the dynamic time warping distance. The range spaces appear in various applications like classification, range counting, density estimation and clustering when the instances are trajectories, time series or polygons. The Vapnik-Chervonenkis dimension (VC-dimension) plays an important role when designing algorithms for these range spaces. We show for the Fr\'echet distance of polygonal curves and the Hausdorff distance of polygonal curves and planar polygonal regions that the VC-dimension is upper-bounded by $O(dk\log(km))$ where $k$ is the complexity of the center of a ball, $m$ is the complexity of the polygonal curve or region in the ground set, and $d$ is the ambient dimension. For $d \geq 4$ this bound is tight in each of the parameters $d, k$ and $m$ separately. For the dynamic time warping distance of polygonal curves, our analysis directly yields an upper-bound of $O(\min(dk^2\log(m),dkm\log(k)))$.

Untargeted metabolomics based on liquid chromatography-mass spectrometry technology is quickly gaining widespread application given its ability to depict the global metabolic pattern in biological samples. However, the data is noisy and plagued by the lack of clear identity of data features measured from samples. Multiple potential matchings exist between data features and known metabolites, while the truth can only be one-to-one matches. Some existing methods attempt to reduce the matching uncertainty, but are far from being able to remove the uncertainty for most features. The existence of the uncertainty causes major difficulty in downstream functional analysis. To address these issues, we develop a novel approach for Bayesian Analysis of Untargeted Metabolomics data (BAUM) to integrate previously separate tasks into a single framework, including matching uncertainty inference, metabolite selection, and functional analysis. By incorporating the knowledge graph between variables and using relatively simple assumptions, BAUM can analyze datasets with small sample sizes. By allowing different confidence levels of feature-metabolite matching, the method is applicable to datasets in which feature identities are partially known. Simulation studies demonstrate that, compared with other existing methods, BAUM achieves better accuracy in selecting important metabolites that tend to be functionally consistent and assigning confidence scores to feature-metabolite matches. We analyze a COVID-19 metabolomics dataset and a mouse brain metabolomics dataset using BAUM. Even with a very small sample size of 16 mice per group, BAUM is robust and stable. It finds pathways that conform to existing knowledge, as well as novel pathways that are biologically plausible.

We study the asymptotic generalization of an overparameterized linear model for multiclass classification under the Gaussian covariates bi-level model introduced in Subramanian et al.~'22, where the number of data points, features, and classes all grow together. We fully resolve the conjecture posed in Subramanian et al.~'22, matching the predicted regimes for generalization. Furthermore, our new lower bounds are akin to an information-theoretic strong converse: they establish that the misclassification rate goes to 0 or 1 asymptotically. One surprising consequence of our tight results is that the min-norm interpolating classifier can be asymptotically suboptimal relative to noninterpolating classifiers in the regime where the min-norm interpolating regressor is known to be optimal. The key to our tight analysis is a new variant of the Hanson-Wright inequality which is broadly useful for multiclass problems with sparse labels. As an application, we show that the same type of analysis can be used to analyze the related multilabel classification problem under the same bi-level ensemble.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.

We present the problem of inverse constraint learning (ICL), which recovers constraints from demonstrations to autonomously reproduce constrained skills in new scenarios. However, ICL suffers from an ill-posed nature, leading to inaccurate inference of constraints from demonstrations. To figure it out, we introduce a transferable constraint learning (TCL) algorithm that jointly infers a task-oriented reward and a task-agnostic constraint, enabling the generalization of learned skills. Our method TCL additively decomposes the overall reward into a task reward and its residual as soft constraints, maximizing policy divergence between task- and constraint-oriented policies to obtain a transferable constraint. Evaluating our method and five baselines in three simulated environments, we show TCL outperforms state-of-the-art IRL and ICL algorithms, achieving up to a $72\%$ higher task-success rates with accurate decomposition compared to the next best approach in novel scenarios. Further, we demonstrate the robustness of TCL on two real-world robotic tasks.

Data shift is a phenomenon present in many real-world applications, and while there are multiple methods attempting to detect shifts, the task of localizing and correcting the features originating such shifts has not been studied in depth. Feature shifts can occur in many datasets, including in multi-sensor data, where some sensors are malfunctioning, or in tabular and structured data, including biomedical, financial, and survey data, where faulty standardization and data processing pipelines can lead to erroneous features. In this work, we explore using the principles of adversarial learning, where the information from several discriminators trained to distinguish between two distributions is used to both detect the corrupted features and fix them in order to remove the distribution shift between datasets. We show that mainstream supervised classifiers, such as random forest or gradient boosting trees, combined with simple iterative heuristics, can localize and correct feature shifts, outperforming current statistical and neural network-based techniques. The code is available at //github.com/AI-sandbox/DataFix.

We introduce a \emph{gain function} viewpoint of information leakage by proposing \emph{maximal $g$-leakage}, a rich class of operationally meaningful leakage measures that subsumes recently introduced leakage measures -- {maximal leakage} and {maximal $\alpha$-leakage}. In maximal $g$-leakage, the gain of an adversary in guessing an unknown random variable is measured using a {gain function} applied to the probability of correctly guessing. In particular, maximal $g$-leakage captures the multiplicative increase, upon observing $Y$, in the expected gain of an adversary in guessing a randomized function of $X$, maximized over all such randomized functions. We also consider the scenario where an adversary can make multiple attempts to guess the randomized function of interest. We show that maximal leakage is an upper bound on maximal $g$-leakage under multiple guesses, for any non-negative gain function $g$. We obtain a closed-form expression for maximal $g$-leakage under multiple guesses for a class of concave gain functions. We also study maximal $g$-leakage measure for a specific class of gain functions related to the $\alpha$-loss. In particular, we first completely characterize the minimal expected $\alpha$-loss under multiple guesses and analyze how the corresponding leakage measure is affected with the number of guesses. Finally, we study two variants of maximal $g$-leakage depending on the type of adversary and obtain closed-form expressions for them, which do not depend on the particular gain function considered as long as it satisfies some mild regularity conditions. We do this by developing a variational characterization for the R\'{e}nyi divergence of order infinity which naturally generalizes the definition of pointwise maximal leakage to incorporate arbitrary gain functions.

In 2023, Kuznetsov and Speranski introduced infinitary action logic with multiplexing $!^m\nabla \mathrm{ACT}_\omega$ and proved that the derivability problem for it lies between the $\omega$ and $\omega^\omega$ levels of the hyperarithmetical hierarchy. We prove that this problem is $\Delta^0_{\omega^\omega}$-complete under Turing reductions. Namely, we prove that it is recursively isomorphic to the satisfaction predicate for computable infinitary formulas of rank less than $\omega^\omega$ in the language of arithmetic. We also prove this result for the fragment of $!^m\nabla \mathrm{ACT}_\omega$ where Kleene star is not allowed to be in the scope of the subexponential. Finally, we present a family of logics, which are fragments of $!^m\nabla \mathrm{ACT}_\omega$, such that the complexity of the $k$-th logic is between $\Delta^0_{\omega^k}$ and $\Delta^0_{\omega^{k+1}}$.

We present a performant, general-purpose gradient-guided nested sampling algorithm, ${\tt GGNS}$, combining the state of the art in differentiable programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested sampling, and parallelization. This unique combination allows ${\tt GGNS}$ to scale well with dimensionality and perform competitively on a variety of synthetic and real-world problems. We also show the potential of combining nested sampling with generative flow networks to obtain large amounts of high-quality samples from the posterior distribution. This combination leads to faster mode discovery and more accurate estimates of the partition function.

We propose a new framework to design and analyze accelerated methods that solve general monotone equation (ME) problems $F(x)=0$. Traditional approaches include generalized steepest descent methods and inexact Newton-type methods. If $F$ is uniformly monotone and twice differentiable, these methods achieve local convergence rates while the latter methods are globally convergent thanks to line search and hyperplane projection. However, a global rate is unknown for these methods. The variational inequality methods can be applied to yield a global rate that is expressed in terms of $\|F(x)\|$ but these results are restricted to first-order methods and a Lipschitz continuous operator. It has not been clear how to obtain global acceleration using high-order Lipschitz continuity. This paper takes a continuous-time perspective where accelerated methods are viewed as the discretization of dynamical systems. Our contribution is to propose accelerated rescaled gradient systems and prove that they are equivalent to closed-loop control systems. Based on this connection, we establish the properties of solution trajectories. Moreover, we provide a unified algorithmic framework obtained from discretization of our system, which together with two approximation subroutines yields both existing high-order methods and new first-order methods. We prove that the $p^{th}$-order method achieves a global rate of $O(k^{-p/2})$ in terms of $\|F(x)\|$ if $F$ is $p^{th}$-order Lipschitz continuous and the first-order method achieves the same rate if $F$ is $p^{th}$-order strongly Lipschitz continuous. If $F$ is strongly monotone, the restarted versions achieve local convergence with order $p$ when $p \geq 2$. Our discrete-time analysis is largely motivated by the continuous-time analysis and demonstrates the fundamental role that rescaled gradients play in global acceleration for solving ME problems.

We study range spaces, where the ground set consists of either polygonal curves in $\mathbb{R}^d$ or polygonal regions in the plane that may contain holes and the ranges are balls defined by an elastic distance measure, such as the Hausdorff distance, the Fr\'echet distance and the dynamic time warping distance. The range spaces appear in various applications like classification, range counting, density estimation and clustering when the instances are trajectories, time series or polygons. The Vapnik-Chervonenkis dimension (VC-dimension) plays an important role when designing algorithms for these range spaces. We show for the Fr\'echet distance of polygonal curves and the Hausdorff distance of polygonal curves and planar polygonal regions that the VC-dimension is upper-bounded by $O(dk\log(km))$ where $k$ is the complexity of the center of a ball, $m$ is the complexity of the polygonal curve or region in the ground set, and $d$ is the ambient dimension. For $d \geq 4$ this bound is tight in each of the parameters $d, k$ and $m$ separately. For the dynamic time warping distance of polygonal curves, our analysis directly yields an upper-bound of $O(\min(dk^2\log(m),dkm\log(k)))$.

Untargeted metabolomics based on liquid chromatography-mass spectrometry technology is quickly gaining widespread application given its ability to depict the global metabolic pattern in biological samples. However, the data is noisy and plagued by the lack of clear identity of data features measured from samples. Multiple potential matchings exist between data features and known metabolites, while the truth can only be one-to-one matches. Some existing methods attempt to reduce the matching uncertainty, but are far from being able to remove the uncertainty for most features. The existence of the uncertainty causes major difficulty in downstream functional analysis. To address these issues, we develop a novel approach for Bayesian Analysis of Untargeted Metabolomics data (BAUM) to integrate previously separate tasks into a single framework, including matching uncertainty inference, metabolite selection, and functional analysis. By incorporating the knowledge graph between variables and using relatively simple assumptions, BAUM can analyze datasets with small sample sizes. By allowing different confidence levels of feature-metabolite matching, the method is applicable to datasets in which feature identities are partially known. Simulation studies demonstrate that, compared with other existing methods, BAUM achieves better accuracy in selecting important metabolites that tend to be functionally consistent and assigning confidence scores to feature-metabolite matches. We analyze a COVID-19 metabolomics dataset and a mouse brain metabolomics dataset using BAUM. Even with a very small sample size of 16 mice per group, BAUM is robust and stable. It finds pathways that conform to existing knowledge, as well as novel pathways that are biologically plausible.

We study the asymptotic generalization of an overparameterized linear model for multiclass classification under the Gaussian covariates bi-level model introduced in Subramanian et al.~'22, where the number of data points, features, and classes all grow together. We fully resolve the conjecture posed in Subramanian et al.~'22, matching the predicted regimes for generalization. Furthermore, our new lower bounds are akin to an information-theoretic strong converse: they establish that the misclassification rate goes to 0 or 1 asymptotically. One surprising consequence of our tight results is that the min-norm interpolating classifier can be asymptotically suboptimal relative to noninterpolating classifiers in the regime where the min-norm interpolating regressor is known to be optimal. The key to our tight analysis is a new variant of the Hanson-Wright inequality which is broadly useful for multiclass problems with sparse labels. As an application, we show that the same type of analysis can be used to analyze the related multilabel classification problem under the same bi-level ensemble.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.