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On Correcting Inputs: Inverse Optimization for Online Structured Predictionworkpreprint / 2015 / arXiv Optimal Clustering with Noisy Queries via Multi-Armed Banditworkpreprint / 2022 / arXiv Adaptive-Step Graph Meta-Learner for Few-Shot Graph Classificationworkpreprint / 2020 / arXiv Machine Learningtopic49008 works

preprint2015arXiv

On Correcting Inputs: Inverse Optimization for Online Structured Prediction

Algorithm designers typically assume that the input data is correct, and then proceed to find "optimal" or "sub-optimal" solutions using this input data. However this assumption of correct data does not always hold in practice, especially in the context of online learning systems where the objective is to learn appropriate feature weights given some training samples. Such scenarios necessitate the study of inverse optimization problems where one is given an input instance as well as a desired output and the task is to adjust the input data so that the given output is indeed optimal. Motivated by learning structured prediction models, in this paper we consider inverse optimization with a margin, i.e., we require the given output to be better than all other feasible outputs by a desired margin. We consider such inverse optimization problems for maximum weight matroid basis, matroid intersection, perfect matchings, minimum cost maximum flows, and shortest paths and derive the first known results for such problems with a non-zero margin. The effectiveness of these algorithmic approaches to online learning for structured prediction is also discussed.

preprint2022arXiv

Optimal Clustering with Noisy Queries via Multi-Armed Bandit

Motivated by many applications, we study clustering with a faulty oracle. In this problem, there are $n$ items belonging to $k$ unknown clusters, and the algorithm is allowed to ask the oracle whether two items belong to the same cluster or not. However, the answer from the oracle is correct only with probability $\frac{1}{2}+\fracδ{2}$. The goal is to recover the hidden clusters with minimum number of noisy queries. Previous works have shown that the problem can be solved with $O(\frac{nk\log n}{δ^2} + \text{poly}(k,\frac{1}δ, \log n))$ queries, while $Ω(\frac{nk}{δ^2})$ queries is known to be necessary. So, for any values of $k$ and $δ$, there is still a non-trivial gap between upper and lower bounds. In this work, we obtain the first matching upper and lower bounds for a wide range of parameters. In particular, a new polynomial time algorithm with $O(\frac{n(k+\log n)}{δ^2} + \text{poly}(k,\frac{1}δ, \log n))$ queries is proposed. Moreover, we prove a new lower bound of $Ω(\frac{n\log n}{δ^2})$, which, combined with the existing $Ω(\frac{nk}{δ^2})$ bound, matches our upper bound up to an additive $\text{poly}(k,\frac{1}δ,\log n)$ term. To obtain the new results, our main ingredient is an interesting connection between our problem and multi-armed bandit, which might provide useful insights for other similar problems.

preprint2020arXiv

Adaptive-Step Graph Meta-Learner for Few-Shot Graph Classification

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully applied to graph classification tasks, most of them overlook the scarcity of labeled graph data in many applications. For example, in bioinformatics, obtaining protein graph labels usually needs laborious experiments. Recently, few-shot learning has been explored to alleviate this problem with only given a few labeled graph samples of test classes. The shared sub-structures between training classes and test classes are essential in few-shot graph classification. Exiting methods assume that the test classes belong to the same set of super-classes clustered from training classes. However, according to our observations, the label spaces of training classes and test classes usually do not overlap in real-world scenario. As a result, the existing methods don't well capture the local structures of unseen test classes. To overcome the limitation, in this paper, we propose a direct method to capture the sub-structures with well initialized meta-learner wit

preprint2020arXiv

A Multiclass Classification Approach to Label Ranking

In multiclass classification, the goal is to learn how to predict a random label $Y$, valued in $\mathcal{Y}=\{1,\; \ldots,\; K \}$ with $K\geq 3$, based upon observing a r.v. $X$, taking its values in $\mathbb{R}^q$ with $q\geq 1$ say, by means of a classification rule $g:\mathbb{R}^q\to \mathcal{Y}$ with minimum probability of error $\mathbb{P}\{Y\neq g(X) \}$. However, in a wide variety of situations, the task targeted may be more ambitious, consisting in sorting all the possible label values $y$ that may be assigned to $X$ by decreasing order of the posterior probability $η_y(X)=\mathbb{P}\{Y=y \mid X \}$. This article is devoted to the analysis of this statistical learning problem, halfway between multiclass classification and posterior probability estimation (regression) and referred to as label ranking here. We highlight the fact that it can be viewed as a specific variant of ranking median regression (RMR), where, rather than observing a random permutation $Σ$ assigned to the input vector $X$ and drawn from a Bradley-Terry-Luce-Plackett model with conditional preference vector $(η_1(X),\; \ldots,\; η_K(X))$, the sole information available for training a label ranking rule i

preprint2021arXiv

Understanding the wiring evolution in differentiable neural architecture search

Controversy exists on whether differentiable neural architecture search methods discover wiring topology effectively. To understand how wiring topology evolves, we study the underlying mechanism of several existing differentiable NAS frameworks. Our investigation is motivated by three observed searching patterns of differentiable NAS: 1) they search by growing instead of pruning; 2) wider networks are more preferred than deeper ones; 3) no edges are selected in bi-level optimization. To anatomize these phenomena, we propose a unified view on searching algorithms of existing frameworks, transferring the global optimization to local cost minimization. Based on this reformulation, we conduct empirical and theoretical analyses, revealing implicit inductive biases in the cost's assignment mechanism and evolution dynamics that cause the observed phenomena. These biases indicate strong discrimination towards certain topologies. To this end, we pose questions that future differentiable methods for neural wiring discovery need to confront, hoping to evoke a discussion and rethinking on how much bias has been enforced implicitly in existing NAS methods.

preprint2016arXiv

An Online Universal Classifier for Binary, Multi-class and Multi-label Classification

Classification involves the learning of the mapping function that associates input samples to corresponding target label. There are two major categories of classification problems: Single-label classification and Multi-label classification. Traditional binary and multi-class classifications are sub-categories of single-label classification. Several classifiers are developed for binary, multi-class and multi-label classification problems, but there are no classifiers available in the literature capable of performing all three types of classification. In this paper, a novel online universal classifier capable of performing all the three types of classification is proposed. Being a high speed online classifier, the proposed technique can be applied to streaming data applications. The performance of the developed classifier is evaluated using datasets from binary, multi-class and multi-label problems. The results obtained are compared with state-of-the-art techniques from each of the classification types.

preprint2012arXiv

Parametric Return Density Estimation for Reinforcement Learning

Most conventional Reinforcement Learning (RL) algorithms aim to optimize decision-making rules in terms of the expected returns. However, especially for risk management purposes, other risk-sensitive criteria such as the value-at-risk or the expected shortfall are sometimes preferred in real applications. Here, we describe a parametric method for estimating density of the returns, which allows us to handle various criteria in a unified manner. We first extend the Bellman equation for the conditional expected return to cover a conditional probability density of the returns. Then we derive an extension of the TD-learning algorithm for estimating the return densities in an unknown environment. As test instances, several parametric density estimation algorithms are presented for the Gaussian, Laplace, and skewed Laplace distributions. We show that these algorithms lead to risk-sensitive as well as robust RL paradigms through numerical experiments.

preprint2023arXiv

Comparative Analysis of Imbalanced Malware Byteplot Image Classification using Transfer Learning

Cybersecurity is a major concern due to the increasing reliance on technology and interconnected systems. Malware detectors help mitigate cyber-attacks by comparing malware signatures. Machine learning can improve these detectors by automating feature extraction, identifying patterns, and enhancing dynamic analysis. In this paper, the performance of six multiclass classification models is compared on the Malimg dataset, Blended dataset, and Malevis dataset to gain insights into the effect of class imbalance on model performance and convergence. It is observed that the more the class imbalance less the number of epochs required for convergence and a high variance across the performance of different models. Moreover, it is also observed that for malware detectors ResNet50, EfficientNetB0, and DenseNet169 can handle imbalanced and balanced data well. A maximum precision of 97% is obtained for the imbalanced dataset, a maximum precision of 95% is obtained on the intermediate imbalance dataset, and a maximum precision of 95% is obtained for the perfectly balanced dataset.

preprint2014arXiv

Supersparse Linear Integer Models for Interpretable Classification

Scoring systems are classification models that only require users to add, subtract and multiply a few meaningful numbers to make a prediction. These models are often used because they are practical and interpretable. In this paper, we introduce an off-the-shelf tool to create scoring systems that both accurate and interpretable, known as a Supersparse Linear Integer Model (SLIM). SLIM is a discrete optimization problem that minimizes the 0-1 loss to encourage a high level of accuracy, regularizes the L0-norm to encourage a high level of sparsity, and constrains coefficients to a set of interpretable values. We illustrate the practical and interpretable nature of SLIM scoring systems through applications in medicine and criminology, and show that they are are accurate and sparse in comparison to state-of-the-art classification models using numerical experiments.

preprint2022arXiv

A Minimax Learning Approach to Off-Policy Evaluation in Confounded Partially Observable Markov Decision Processes

We consider off-policy evaluation (OPE) in Partially Observable Markov Decision Processes (POMDPs), where the evaluation policy depends only on observable variables and the behavior policy depends on unobservable latent variables. Existing works either assume no unmeasured confounders, or focus on settings where both the observation and the state spaces are tabular. In this work, we first propose novel identification methods for OPE in POMDPs with latent confounders, by introducing bridge functions that link the target policy's value and the observed data distribution. We next propose minimax estimation methods for learning these bridge functions, and construct three estimators based on these estimated bridge functions, corresponding to a value function-based estimator, a marginalized importance sampling estimator, and a doubly-robust estimator. Our proposal permits general function approximation and is thus applicable to settings with continuous or large observation/state spaces. The nonasymptotic and asymptotic properties of the proposed estimators are investigated in detail.

preprint2026arXiv

AdamO: A Collapse-Suppressed Optimizer for Offline RL

Offline reinforcement learning (RL) can fail spectacularly when bootstrapped temporal-difference (TD) updates amplify their own errors, driving the critic toward extreme and unusable Q-values. A key counterintuitive insight of this work is that collapse is not only a property of the backup rule or network architecture: optimizer dynamics themselves can directly trigger or suppress instability. From a control-theoretic viewpoint, we model offline TD learning as a feedback system and analyze Adam-based critic updates. This yields a necessary and sufficient condition for stability of the induced local update dynamics: within the regime we analyze, these dynamics are stable if and only if the spectral radius of the corresponding update operator is strictly below one. Further analysis suggests that standard Adam updates can inadvertently distort the parameter geometry, motivating explicit orthogonality constraints to prevent TD error amplification. To this end, we propose AdamO, an Adam-based optimizer with a decoupled orthogonality correction regulated by a strict task-alignment budget. We prove that this design theoretically guarantees worst-case task safety and preserves Adam's continuous-time dissipative dynamics. Empirically, AdamO is broadly compatible with diverse offline RL baselines, improving stability and returns across a broad suite of benchmarks.

preprint2026arXiv

Geometric Kolmogorov--Arnold Network (GeoKAN)

We introduce Geometric Kolmogorov--Arnold Networks (GeoKANs), a family of geometry-aware KAN-type models in which approximation is carried out in learned, geometry-adapted coordinates rather than in fixed Euclidean input coordinates. GeoKAN achieves this by learning a diagonal Riemannian metric that warps the input before basis expansion and feature mixing. The learned metric provides a geometric inductive bias through local length scaling and volume distortion, and in physics-informed settings it also affects the differential structure seen by the model. Within this framework, we develop three main variants, namely GeoKAN-NNMetric, GeoKAN-$γ$, and LM-KAN. For LM-KAN, we further consider three basis-specific versions, LM-KAN-RBF, LM-KAN-Wav, and LM-KAN-Fourier. These variants allow us to study geometry-aware KAN models both as general function approximators and as surrogates in physics-informed learning. By stretching regions with rapid variation and compressing smoother regions, GeoKAN reallocates representational resolution in a task-dependent manner, allowing the model to place capacity where it is most needed. As a result, GeoKAN is well suited to sharp, stiff, localized, and strongly non-uniform regimes arising in scientific machine learning and differential-equation problems.

preprint2016arXiv

Deepr: A Convolutional Net for Medical Records

Feature engineering remains a major bottleneck when creating predictive systems from electronic medical records. At present, an important missing element is detecting predictive regular clinical motifs from irregular episodic records. We present Deepr (short for Deep record), a new end-to-end deep learning system that learns to extract features from medical records and predicts future risk automatically. Deepr transforms a record into a sequence of discrete elements separated by coded time gaps and hospital transfers. On top of the sequence is a convolutional neural net that detects and combines predictive local clinical motifs to stratify the risk. Deepr permits transparent inspection and visualization of its inner working. We validate Deepr on hospital data to predict unplanned readmission after discharge. Deepr achieves superior accuracy compared to traditional techniques, detects meaningful clinical motifs, and uncovers the underlying structure of the disease and intervention space.

preprint2020arXiv

Data-Free Adversarial Distillation

Knowledge Distillation (KD) has made remarkable progress in the last few years and become a popular paradigm for model compression and knowledge transfer. However, almost all existing KD algorithms are data-driven, i.e., relying on a large amount of original training data or alternative data, which is usually unavailable in real-world scenarios. In this paper, we devote ourselves to this challenging problem and propose a novel adversarial distillation mechanism to craft a compact student model without any real-world data. We introduce a model discrepancy to quantificationally measure the difference between student and teacher models and construct an optimizable upper bound. In our work, the student and the teacher jointly act the role of the discriminator to reduce this discrepancy, when a generator adversarially produces some "hard samples" to enlarge it. Extensive experiments demonstrate that the proposed data-free method yields comparable performance to existing data-driven methods. More strikingly, our approach can be directly extended to semantic segmentation, which is more complicated than classification, and our approach achieves state-of-the-art results. Code and pr

preprint2021arXiv

Partitioning signal classes using transport transforms for data analysis and machine learning

A relatively new set of transport-based transforms (CDT, R-CDT, LOT) have shown their strength and great potential in various image and data processing tasks such as parametric signal estimation, classification, cancer detection among many others. It is hence worthwhile to elucidate some of the mathematical properties that explain the successes of these transforms when they are used as tools in data analysis, signal processing or data classification. In particular, we give conditions under which classes of signals that are created by algebraic generative models are transformed into convex sets by the transport transforms. Such convexification of the classes simplify the classification and other data analysis and processing problems when viewed in the transform domain. More specifically, we study the extent and limitation of the convexification ability of these transforms under an algebraic generative modeling framework. We hope that this paper will serve as an introduction to these transforms and will encourage mathematicians and other researchers to further explore the theoretical underpinnings and algorithmic tools that will help understand the successes of these transforms and lay the groundwork for further successful applications.

preprint2023arXiv

Explaining Imitation Learning through Frames

As one of the prevalent methods to achieve automation systems, Imitation Learning (IL) presents a promising performance in a wide range of domains. However, despite the considerable improvement in policy performance, the corresponding research on the explainability of IL models is still limited. Inspired by the recent approaches in explainable artificial intelligence methods, we proposed a model-agnostic explaining framework for IL models called R2RISE. R2RISE aims to explain the overall policy performance with respect to the frames in demonstrations. It iteratively retrains the black-box IL model from the randomized masked demonstrations and uses the conventional evaluation outcome environment returns as the coefficient to build an importance map. We also conducted experiments to investigate three major questions concerning frames' importance equality, the effectiveness of the importance map, and connections between importance maps from different IL models. The result shows that R2RISE successfully distinguishes important frames from the demonstrations.

preprint2020arXiv

On the Effectiveness of Richardson Extrapolation in Machine Learning

Richardson extrapolation is a classical technique from numerical analysis that can improve the approximation error of an estimation method by combining linearly several estimates obtained from different values of one of its hyperparameters, without the need to know in details the inner structure of the original estimation method. The main goal of this paper is to study when Richardson extrapolation can be used within machine learning, beyond the existing applications to step-size adaptations in stochastic gradient descent. We identify two situations where Richardson interpolation can be useful: (1) when the hyperparameter is the number of iterations of an existing iterative optimization algorithm, with applications to averaged gradient descent and Frank-Wolfe algorithms (where we obtain asymptotically rates of $O(1/k^2)$ on polytopes, where $k$ is the number of iterations), and (2) when it is a regularization parameter, with applications to Nesterov smoothing techniques for minimizing non-smooth functions (where we obtain asymptotically rates close to $O(1/k^2)$ for non-smooth functions), and ridge regression. In all these cases, we show that extrapolation techniques come with no s

preprint2014arXiv

Automatic Dimension Selection for a Non-negative Factorization Approach to Clustering Multiple Random Graphs

We consider a problem of grouping multiple graphs into several clusters using singular value thesholding and non-negative factorization. We derive a model selection information criterion to estimate the number of clusters. We demonstrate our approach using "Swimmer data set" as well as simulated data set, and compare its performance with two standard clustering algorithms.

preprint2015arXiv

Using SVM to pre-classify government purchases

The Brazilian government often misclassifies the goods it buys. That makes it hard to audit government expenditures. We cannot know whether the price paid for a ballpoint pen (code #7510) was reasonable if the pen was misclassified as a technical drawing pen (code #6675) or as any other good. This paper shows how we can use machine learning to reduce misclassification. I trained a support vector machine (SVM) classifier that takes a product description as input and returns the most likely category codes as output. I trained the classifier using 20 million goods purchased by the Brazilian government between 1999-04-01 and 2015-04-02. In 83.3% of the cases the correct category code was one of the three most likely category codes identified by the classifier. I used the trained classifier to develop a web app that might help the government reduce misclassification. I open sourced the code on GitHub; anyone can use and modify it.

preprint2022arXiv

A machine learning-based severity prediction tool for diabetic sensorimotor polyneuropathy using Michigan neuropathy screening instrumentations

Background: Diabetic Sensorimotor polyneuropathy (DSPN) is a major long-term complication in diabetic patients associated with painful neuropathy, foot ulceration and amputation. The Michigan neuropathy screening instrument (MNSI) is one of the most common screening techniques for DSPN, however, it does not provide any direct severity grading system. Method: For designing and modelling the DSPN severity grading systems for MNSI, 19 years of data from Epidemiology of Diabetes Interventions and Complications (EDIC) clinical trials were used. MNSI variables and patient outcomes were investigated using machine learning tools to identify the features having higher association in DSPN identification. A multivariable logistic regression-based nomogram was generated and validated for DSPN severity grading. Results: The top-7 ranked features from MNSI: 10-gm filament, Vibration perception (R), Vibration perception (L), previous diabetic neuropathy, the appearance of deformities, appearance of callus and appearance of fissure were identified as key features for identifying DSPN using the extra tree model. The area under the curve (AUC) of the nomogram for the internal and external datasets were 0.9421 and 0.946, respectively. From the developed nomogram, the probability of having DSPN was predicted and a DSPN severity scoring system for MNSI was developed from the probability score. The model performance was validated on an independent dataset. Patients were stratified into four severity levels: absent, mild, moderate, and severe using a cut-off value of 10.5, 12.7 and 15 for a DSPN probability less than 50%, 75% to 90%, and above 90%, respectively. Conclusions: This study provides a simple, easy-to-use and reliable algorithm for defining the prognosis and management of patients with DSPN.

preprint2020arXiv

Polylogarithmic width suffices for gradient descent to achieve arbitrarily small test error with shallow ReLU networks

Recent theoretical work has guaranteed that overparameterized networks trained by gradient descent achieve arbitrarily low training error, and sometimes even low test error. The required width, however, is always polynomial in at least one of the sample size $n$, the (inverse) target error $1/ε$, and the (inverse) failure probability $1/δ$. This work shows that $\widetildeΘ(1/ε)$ iterations of gradient descent with $\widetildeΩ(1/ε^2)$ training examples on two-layer ReLU networks of any width exceeding $\mathrm{polylog}(n,1/ε,1/δ)$ suffice to achieve a test misclassification error of $ε$. We also prove that stochastic gradient descent can achieve $ε$ test error with polylogarithmic width and $\widetildeΘ(1/ε)$ samples. The analysis relies upon the separation margin of the limiting kernel, which is guaranteed positive, can distinguish between true labels and random labels, and can give a tight sample-complexity analysis in the infinite-width setting

preprint2026arXiv

KVBuffer: IO-aware Serving for Linear Attention

Linear attention has recently gained significant attention for long-context inference due to its constant decoding cost with respect to context length. However, existing serving systems typically serve linear attention by recurrently computing and updating a large linear attention state in every decoding step. Since the state is much larger than the per-token key and value, recurrent decoding incurs substantial memory access and becomes inefficient for serving linear attention. In this paper, we propose KVBuffer, an IO-aware serving mechanism for linear attention. By buffering recent keys and values, KVBuffer enables serving systems to compute linear attention outputs in more flexible and memory-efficient ways. For decoding, KVBuffer enables chunkwise computation, which reduces average memory access and decoding latency by deferring state updates and applying them in batch. For speculative decoding, KVBuffer verifies draft tokens in parallel and avoids storing temporary states. For short contexts, KVBuffer computes attention outputs directly from buffered keys and values, without creating or updating the linear attention state. We implement KVBuffer in SGLang for Qwen3-Next. Our evaluations show that KVBuffer can reduce linear attention decoding latency by up to 45.17% and increase the maximum number of serving requests by 5x for speculative decoding when verifying four draft tokens.

preprint2022arXiv

SF-PATE: Scalable, Fair, and Private Aggregation of Teacher Ensembles

A critical concern in data-driven processes is to build models whose outcomes do not discriminate against some demographic groups, including gender, ethnicity, or age. To ensure non-discrimination in learning tasks, knowledge of the group attributes is essential. However, in practice, these attributes may not be available due to legal and ethical requirements. To address this challenge, this paper studies a model that protects the privacy of the individuals' sensitive information while also allowing it to learn non-discriminatory predictors. A key characteristic of the proposed model is to enable the adoption of off-the-selves and non-private fair models to create a privacy-preserving and fair model. The paper analyzes the relation between accuracy, privacy, and fairness, and the experimental evaluation illustrates the benefits of the proposed models on several prediction tasks. In particular, this proposal is the first to allow both scalable and accurate training of private and fair models for very large neural networks.

preprint2013arXiv

Learning Bayesian Network Structure from Massive Datasets: The "Sparse Candidate" Algorithm

Learning Bayesian networks is often cast as an optimization problem, where the computational task is to find a structure that maximizes a statistically motivated score. By and large, existing learning tools address this optimization problem using standard heuristic search techniques. Since the search space is extremely large, such search procedures can spend most of the time examining candidates that are extremely unreasonable. This problem becomes critical when we deal with data sets that are large either in the number of instances, or the number of attributes. In this paper, we introduce an algorithm that achieves faster learning by restricting the search space. This iterative algorithm restricts the parents of each variable to belong to a small subset of candidates. We then search for a network that satisfies these constraints. The learned network is then used for selecting better candidates for the next iteration. We evaluate this algorithm both on synthetic and real-life data. Our results show that it is significantly faster than alternative search procedures without loss of quality in the learned structures.

preprint2022arXiv

ChemicalX: A Deep Learning Library for Drug Pair Scoring

In this paper, we introduce ChemicalX, a PyTorch-based deep learning library designed for providing a range of state of the art models to solve the drug pair scoring task. The primary objective of the library is to make deep drug pair scoring models accessible to machine learning researchers and practitioners in a streamlined framework.The design of ChemicalX reuses existing high level model training utilities, geometric deep learning, and deep chemistry layers from the PyTorch ecosystem. Our system provides neural network layers, custom pair scoring architectures, data loaders, and batch iterators for end users. We showcase these features with example code snippets and case studies to highlight the characteristics of ChemicalX. A range of experiments on real world drug-drug interaction, polypharmacy side effect, and combination synergy prediction tasks demonstrate that the models available in ChemicalX are effective at solving the pair scoring task. Finally, we show that ChemicalX could be used to train and score machine learning models on large drug pair datasets with hundreds of thousands of compounds on commodity hardware.

preprint2023arXiv

Kantorovich Strikes Back! Wasserstein GANs are not Optimal Transport?

Wasserstein Generative Adversarial Networks (WGANs) are the popular generative models built on the theory of Optimal Transport (OT) and the Kantorovich duality. Despite the success of WGANs, it is still unclear how well the underlying OT dual solvers approximate the OT cost (Wasserstein-1 distance, $\mathbb{W}_{1}$) and the OT gradient needed to update the generator. In this paper, we address these questions. We construct 1-Lipschitz functions and use them to build ray monotone transport plans. This strategy yields pairs of continuous benchmark distributions with the analytically known OT plan, OT cost and OT gradient in high-dimensional spaces such as spaces of images. We thoroughly evaluate popular WGAN dual form solvers (gradient penalty, spectral normalization, entropic regularization, etc.) using these benchmark pairs. Even though these solvers perform well in WGANs, none of them faithfully compute $\mathbb{W}_{1}$ in high dimensions. Nevertheless, many provide a meaningful approximation of the OT gradient. These observations suggest that these solvers should not be treated as good estimators of $\mathbb{W}_{1}$, but to some extent they indeed can be used in variational problems requiring the minimization of $\mathbb{W}_{1}$.

preprint2020arXiv

CoNES: Convex Natural Evolutionary Strategies

We present a novel algorithm -- convex natural evolutionary strategies (CoNES) -- for optimizing high-dimensional blackbox functions by leveraging tools from convex optimization and information geometry. CoNES is formulated as an efficiently-solvable convex program that adapts the evolutionary strategies (ES) gradient estimate to promote rapid convergence. The resulting algorithm is invariant to the parameterization of the belief distribution. Our numerical results demonstrate that CoNES vastly outperforms conventional blackbox optimization methods on a suite of functions used for benchmarking blackbox optimizers. Furthermore, CoNES demonstrates the ability to converge faster than conventional blackbox methods on a selection of OpenAI's MuJoCo reinforcement learning tasks for locomotion.

preprint2022arXiv

Online Algorithms with Multiple Predictions

This paper studies online algorithms augmented with multiple machine-learned predictions. While online algorithms augmented with a single prediction have been extensively studied in recent years, the literature for the multiple predictions setting is sparse. In this paper, we give a generic algorithmic framework for online covering problems with multiple predictions that obtains an online solution that is competitive against the performance of the best predictor. Our algorithm incorporates the use of predictions in the classic potential-based analysis of online algorithms. We apply our algorithmic framework to solve classical problems such as online set cover, (weighted) caching, and online facility location in the multiple predictions setting. Our algorithm can also be robustified, i.e., the algorithm can be simultaneously made competitive against the best prediction and the performance of the best online algorithm (without prediction).

preprint2022arXiv

Towards Evading the Limits of Randomized Smoothing: A Theoretical Analysis

Randomized smoothing is the dominant standard for provable defenses against adversarial examples. Nevertheless, this method has recently been proven to suffer from important information theoretic limitations. In this paper, we argue that these limitations are not intrinsic, but merely a byproduct of current certification methods. We first show that these certificates use too little information about the classifier, and are in particular blind to the local curvature of the decision boundary. This leads to severely sub-optimal robustness guarantees as the dimension of the problem increases. We then show that it is theoretically possible to bypass this issue by collecting more information about the classifier. More precisely, we show that it is possible to approximate the optimal certificate with arbitrary precision, by probing the decision boundary with several noise distributions. Since this process is executed at certification time rather than at test time, it entails no loss in natural accuracy while enhancing the quality of the certificates. This result fosters further research on classifier-specific certification and demonstrates that randomized smoothing is still worth investigating. Although classifier-specific certification may induce more computational cost, we also provide some theoretical insight on how to mitigate it.

preprint2025arXiv

AnaFlow: Agentic LLM-based Workflow for Reasoning-Driven Explainable and Sample-Efficient Analog Circuit Sizing

Analog/mixed-signal circuits are key for interfacing electronics with the physical world. Their design, however, remains a largely handcrafted process, resulting in long and error-prone design cycles. While the recent rise of AI-based reinforcement learning and generative AI has created new techniques to automate this task, the need for many time-consuming simulations is a critical bottleneck hindering the overall efficiency. Furthermore, the lack of explainability of the resulting design solutions hampers widespread adoption of the tools. To address these issues, a novel agentic AI framework for sample-efficient and explainable analog circuit sizing is presented. It employs a multi-agent workflow where specialized Large Language Model (LLM)-based agents collaborate to interpret the circuit topology, to understand the design goals, and to iteratively refine the circuit's design parameters towards the target goals with human-interpretable reasoning. The adaptive simulation strategy creates an intelligent control that yields a high sample efficiency. The AnaFlow framework is demonstrated for two circuits of varying complexity and is able to complete the sizing task fully automati

preprint2022arXiv

Standardized feature extraction from pairwise conflicts applied to the train rescheduling problem

We propose a train rescheduling algorithm which applies a standardized feature selection based on pairwise conflicts in order to serve as input for the reinforcement learning framework. We implement an analytical method which identifies and optimally solves every conflict arising between two trains, then we design a corresponding observation space which features the most relevant information considering these conflicts. The data obtained this way then translates to actions in the context of the reinforcement learning framework. We test our preliminary model using the evaluation metrics of the Flatland Challenge. The empirical results indicate that the suggested feature space provides meaningful observations, from which a sensible scheduling policy can be learned.

preprint2026arXiv

Model-Based Proactive Cost Generation for Learning Safe Policies Offline with Limited Violation Data

Learning constraint-satisfying policies from offline data without risky online interaction is crucial for safety-critical decision making. Conventional methods typically learn cost value functions from abundant unsafe samples to define safety boundaries and penalize violations. However, in high-stakes scenarios, risky trial-and-error is infeasible, yielding datasets with few or no unsafe samples. Under this limitation, existing approaches often treat all data as uniformly safe, overlooking safe-but-infeasible states - states that currently satisfy constraints but inevitably violate them within a few steps - leading to deployment failures. Drawing inspiration from the concept of knowledge-data integration, we leverage large language models (LLMs) to incorporate natural language knowledge into the policy to address this challenge. Specifically, we propose PROCO, a model-based offline safe reinforcement learning (RL) framework tailored to datasets largely free of violations. PROCO first learns a dynamics model from offline data and constructs a conservative cost function by grounding natural-language knowledge of unsafe states in LLMs, enabling risk estimation even without observed violations. Using the cost function and learned model, PROCO performs model-based rollouts to synthesize diverse counterfactual unsafe samples, supporting reliable feasibility identification and feasibility-guided policy learning. Across a range of Safety-Gymnasium tasks with exclusively safe or minimally risky training data, PROCO integrates seamlessly with a variety of offline safe RL algorithms and consistently demonstrates reduced constraint violations and improved safety performance compared to both the original methods and other behavior cloning baselines.