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We consider the problem of Graphical lasso with an additional $\ell_{\infty}$ element-wise norm constraint on the precision matrix. This problem has applications in high-dimensional covariance decomposition such as in \citep{Janzamin-12}. We propose an ADMM algorithm to solve this problem. We also use a continuation strategy on the penalty parameter to have a fast implemenation of the algorithm.
An ideal cognitively-inspired memory system would compress and organize incoming items. The Kanerva Machine (Wu et al, 2018) is a Bayesian model that naturally implements online memory compression. However, the organization of the Kanerva Machine is limited by its use of a single Gaussian random matrix for storage. Here we introduce the Product Kanerva Machine, which dynamically combines many smaller Kanerva Machines. Its hierarchical structure provides a principled way to abstract invariant features and gives scaling and capacity advantages over single Kanerva Machines. We show that it can exhibit unsupervised clustering, find sparse and combinatorial allocation patterns, and discover spatial tunings that approximately factorize simple images by object.
This paper presents algorithm for missing values imputation in categorical data. The algorithm is based on using association rules and is presented in three variants. Experimental shows better accuracy of missing values imputation using the algorithm then using most common attribute value.
The model of learning with \emph{local membership queries} interpolates between the PAC model and the membership queries model by allowing the learner to query the label of any example that is similar to an example in the training set. This model, recently proposed and studied by Awasthi, Feldman and Kanade, aims to facilitate practical use of membership queries. We continue this line of work, proving both positive and negative results in the {\em distribution free} setting. We restrict to the boolean cube $\{-1, 1\}^n$, and say that a query is $q$-local if it is of a hamming distance $\le q$ from some training example. On the positive side, we show that $1$-local queries already give an additional strength, and allow to learn a certain type of DNF formulas. On the negative side, we show that even $\left(n^{0.99}\right)$-local queries cannot help to learn various classes including Automata, DNFs and more. Likewise, $q$-local queries for any constant $q$ cannot help to learn Juntas, Decision Trees, Sparse Polynomials and more. Moreover, for these classes, an algorithm that uses $\left(\log^{0.99}(n)\right)$-local queries would lead to a breakthrough in the best known running times.
Estimating free energy differences quantifies thermodynamic preferences in molecular interactions, which is central to chemistry and drug discovery. Despite fruitful progress, existing methods still face key limitations: classical computational approaches remain prohibitively expensive due to their reliance on extensive molecular dynamics simulations, while deep learning-based methods are constrained by either less-expressive generative models or input dimensions tied to a specific system, resulting in negligible generalization. To address these challenges, we propose CARD, a generative framework that employs a novel radix-based decomposition to bijectively convert 3D coordinates into mixed discrete-continuous sequences, enabling coarse-to-fine autoregressive modeling with enhanced expressiveness. Notably, the model corresponds to a distribution with zero free energy, serving as a proposal for absolute free energy computation of arbitrary systems without relying on alchemical pathways. Experiments across diverse tasks demonstrate that CARD matches the accuracy of classical computational methods on unseen systems with diverse topologies, while achieving an approximately 40-fold speedup in inference.
The Koopman operator provides a principled framework for analyzing nonlinear dynamical systems through linear operator theory. Recent advances in dynamic mode decomposition (DMD) have shown that trajectory data can be used to identify dominant modes of a system in a data-driven manner. Building on this idea, deep learning methods such as VAMPnet and DPNet have been proposed to learn the leading singular subspaces of the Koopman operator. However, these methods require backpropagation through potentially numerically unstable operations on empirical second moment matrices, such as singular value decomposition and matrix inversion, during objective computation, which can introduce biased gradient estimates and hinder scalability to large systems. In this work, we propose a scalable and conceptually simple method for learning the top-$k$ singular functions of the Koopman operator for stochastic dynamical systems based on the idea of low-rank approximation. Our approach eliminates the need for unstable linear-algebraic operations and integrates easily into modern deep learning pipelines. Empirical results demonstrate that the learned singular subspaces are both reliable and effective fo
Scalability is an important consideration for deep graph neural networks. Inspired by the conventional pooling layers in CNNs, many recent graph learning approaches have introduced the pooling strategy to reduce the size of graphs for learning, such that the scalability and efficiency can be improved. However, these pooling-based methods are mainly tailored to a single graph-level task and pay more attention to local information, limiting their performance in multi-task settings which often require task-specific global information. In this paper, departure from these pooling-based efforts, we design a new approach called DOTIN (\underline{D}r\underline{o}pping \underline{T}ask-\underline{I}rrelevant \underline{N}odes) to reduce the size of graphs. Specifically, by introducing $K$ learnable virtual nodes to represent the graph embeddings targeted to $K$ different graph-level tasks, respectively, up to 90\% raw nodes with low attentiveness with an attention model -- a transformer in this paper, can be adaptively dropped without notable performance decreasing. Achieving almost the same accuracy, our method speeds up GAT by about 50\% on graph-level tasks including graph classification and graph edit distance (GED) with about 60\% less memory, on D\&D dataset. Code will be made publicly available in https://github.com/Sherrylone/DOTIN.
This paper aims at justifying LWF and AMP chain graphs by showing that they do not represent arbitrary independence models. Specifically, we show that every chain graph is inclusion optimal wrt the intersection of the independence models represented by a set of directed and acyclic graphs under conditioning. This implies that the independence model represented by the chain graph can be accounted for by a set of causal models that are subject to selection bias, which in turn can be accounted for by a system that switches between different regimes or configurations.
In this work, we propose a communication-efficient parameterization, FedPara, for federated learning (FL) to overcome the burdens on frequent model uploads and downloads. Our method re-parameterizes weight parameters of layers using low-rank weights followed by the Hadamard product. Compared to the conventional low-rank parameterization, our FedPara method is not restricted to low-rank constraints, and thereby it has a far larger capacity. This property enables to achieve comparable performance while requiring 3 to 10 times lower communication costs than the model with the original layers, which is not achievable by the traditional low-rank methods. The efficiency of our method can be further improved by combining with other efficient FL optimizers. In addition, we extend our method to a personalized FL application, pFedPara, which separates parameters into global and local ones. We show that pFedPara outperforms competing personalized FL methods with more than three times fewer parameters.
We present an AutoML system called LightAutoML developed for a large European financial services company and its ecosystem satisfying the set of idiosyncratic requirements that this ecosystem has for AutoML solutions. Our framework was piloted and deployed in numerous applications and performed at the level of the experienced data scientists while building high-quality ML models significantly faster than these data scientists. We also compare the performance of our system with various general-purpose open source AutoML solutions and show that it performs better for most of the ecosystem and OpenML problems. We also present the lessons that we learned while developing the AutoML system and moving it into production.
A Neyman-Scott process is a special case of a Cox process. The latent and observable stochastic processes are both Poisson processes. We consider a deep Neyman-Scott process in this paper, for which the building components of a network are all Poisson processes. We develop an efficient posterior sampling via Markov chain Monte Carlo and use it for likelihood-based inference. Our method opens up room for the inference in sophisticated hierarchical point processes. We show in the experiments that more hidden Poisson processes brings better performance for likelihood fitting and events types prediction. We also compare our method with state-of-the-art models for temporal real-world datasets and demonstrate competitive abilities for both data fitting and prediction, using far fewer parameters.
Games generalize the single-objective optimization paradigm by introducing different objective functions for different players. Differentiable games often proceed by simultaneous or alternating gradient updates. In machine learning, games are gaining new importance through formulations like generative adversarial networks (GANs) and actor-critic systems. However, compared to single-objective optimization, game dynamics are more complex and less understood. In this paper, we analyze gradient-based methods with momentum on simple games. We prove that alternating updates are more stable than simultaneous updates. Next, we show both theoretically and empirically that alternating gradient updates with a negative momentum term achieves convergence in a difficult toy adversarial problem, but also on the notoriously difficult to train saturating GANs.
Safe reinforcement learning (RL) typically asks $\textit{what}$ an agent should do. We ask $\textit{when}$ it needs to act, and show that a single policy can jointly learn control inputs and communication-efficient timing decisions under a pointwise Lyapunov safety shield. We focus on stabilization around a known equilibrium, where CARE-based LQR backups, Lyapunov certificates, and classical Lyapunov-STC are well defined, enabling clean comparison against analytical baselines. A run-time assurance (RTA) layer overrides the policy via a one-step-ahead Lyapunov prediction and a precomputed LQR backup, providing a strictly stronger guarantee than constrained MDP methods that enforce safety only in expectation. On an inverted pendulum, cart--pole, and planar quadrotor, the learned policy achieves $1.91\times$, $1.45\times$, and $3.51\times$ higher mean inter-sample interval (MSI) than a Lyapunov-triggered baseline; a fixed LQR controller at the same average rate is unstable on all three plants, showing that adaptive timing, not a lower average rate, makes sparsity safe. A CARE-derived Lyapunov reward transfers across environments without redesign, with a single weight $w_c$ controlling the stability--communication tradeoff; ablations confirm the RTA shield is essential, with its removal reducing MSI by $1.27$--$1.84\times$ and degrading state norms. A preference-conditioned extension recovers the full tradeoff frontier from one model at $\tfrac{2}{11}$ of training compute, and SAC experiments show the results are algorithm-agnostic across discrete and continuous domains. A 12-state 3D quadrotor case study extends the framework to higher-dimensional systems where classical STC is intractable, and robustness to $\pm30\%$ mass variation and disturbances shows graceful degradation, with the RTA absorbing what the learned policy cannot.
Machine learning is finding its application in a multitude of areas in science and research, and Climate and Earth Sciences is no exception to this trend. Operational forecasting systems based on data-driven approaches and machine learning methods deploy models for periodic forecasting. Wildfire danger assessment using machine learning has garnered significant interest in the last decade, as conventional methods often overestimate the risk of wildfires. In this work, we present the code OpFML: Operational Forecasting with Machine Learning. OpFML is a configurable and adaptable pipeline that can be utilized to serve a machine learning model for periodic forecasting. We further demonstrate the capabilities of the pipeline through its application to daily Fire Danger Index forecasting and outline its various features.
Graph Neural Networks (GNNs) have achieved tremendous success in graph representation learning. Unfortunately, current GNNs usually rely on loading the entire attributed graph into network for processing. This implicit assumption may not be satisfied with limited memory resources, especially when the attributed graph is large. In this paper, we pioneer to propose a Binary Graph Convolutional Network (Bi-GCN), which binarizes both the network parameters and input node features. Besides, the original matrix multiplications are revised to binary operations for accelerations. According to the theoretical analysis, our Bi-GCN can reduce the memory consumption by an average of ~30x for both the network parameters and input data, and accelerate the inference speed by an average of ~47x, on the citation networks. Meanwhile, we also design a new gradient approximation based back-propagation method to train our Bi-GCN well. Extensive experiments have demonstrated that our Bi-GCN can give a comparable performance compared to the full-precision baselines. Besides, our binarization approach can be easily applied to other GNNs, which has been verified in the experiments.
We propose and analyze a new type of stochastic first order method: gradient descent with compressed iterates (GDCI). GDCI in each iteration first compresses the current iterate using a lossy randomized compression technique, and subsequently takes a gradient step. This method is a distillation of a key ingredient in the current practice of federated learning, where a model needs to be compressed by a mobile device before it is sent back to a server for aggregation. Our analysis provides a step towards closing the gap between the theory and practice of federated learning, and opens the possibility for many extensions.
This work studies applications and generalizations of a simple estimation technique that provides exponential concentration under heavy-tailed distributions, assuming only bounded low-order moments. We show that the technique can be used for approximate minimization of smooth and strongly convex losses, and specifically for least squares linear regression. For instance, our $d$-dimensional estimator requires just $\tilde{O}(d\log(1/δ))$ random samples to obtain a constant factor approximation to the optimal least squares loss with probability $1-δ$, without requiring the covariates or noise to be bounded or subgaussian. We provide further applications to sparse linear regression and low-rank covariance matrix estimation with similar allowances on the noise and covariate distributions. The core technique is a generalization of the median-of-means estimator to arbitrary metric spaces.
Zero-shot learning (ZSL) has received increasing attention in recent years especially in areas of fine-grained object recognition, retrieval, and image captioning. The key to ZSL is to transfer knowledge from the seen to the unseen classes via auxiliary class attribute vectors. However, the popularly learned projection functions in previous works cannot generalize well since they assume the distribution consistency between seen and unseen domains at sample-level.Besides, the provided non-visual and unique class attributes can significantly degrade the recognition performance in semantic space. In this paper, we propose a simple yet effective convolutional prototype learning (CPL) framework for zero-shot recognition. By assuming distribution consistency at task-level, our CPL is capable of transferring knowledge smoothly to recognize unseen samples.Furthermore, inside each task, discriminative visual prototypes are learned via a distance based training mechanism. Consequently, we can perform recognition in visual space, instead of semantic space. An extensive group of experiments are then carefully designed and presented, demonstrating that CPL obtains more favorable effectiveness,
Existing SFDA methods struggle to fully use pre-trained knowledge and often rely on a single model's predictions or handcrafted prompts, limiting robustness under domain shift. Multimodal Large Language Models (MLLMs) offer a promising alternative: they encode rich visual-semantic knowledge and generalize well without task-specific tuning. However, their use in SFDA is hindered by instruction-following failures, inconsistent outputs, and high inference costs. We propose Reliability-based Curriculum Learning (RCL), a novel framework that distills robust supervision from multiple frozen MLLMs into a compact target model. RCL organizes adaptation as a three-stage curriculum that progressively incorporates pseudo-labels based on inter-model agreement and model confidence, enabling stable and noise-aware training. Our approach achieves state-of-the-art performance on standard SFDA datasets, Office-Home, DomainNet-126, and VisDA-C, outperforming zero-shot MLLMs, their ensembles, all without accessing source data or tuning foundation models. Our code is available at: https://github.com/Dong-Jie-Chen/RCL.
We introduce a new semantic communication mechanism - SemanticRL, whose key idea is to preserve the semantic information instead of strictly securing the bit-level precision. Unlike previous methods that mainly concentrate on the network or structure design, we revisit the learning process and point out the semantic blindness of commonly used objective functions. To address this semantic gap, we introduce a schematic shift that learns from semantic similarity, instead of relying on conventional paired bit-level supervisions like cross entropy and bit error rate. However, developing such a semantic communication system is indeed a nontrivial task considering the non-differentiability of most semantic metrics as well as the instability from noisy channels. To further resolve these issues, we put forward a self-critic reinforcement learning (RL) solution which allows an efficient and stable learning on any user-defined semantic measurement, and take a step further to simultaneously tackle the non-differentiable semantic channel optimization problem via self-critic stochastic iterative updating (SCSIU) training on the decoupled semantic transceiver. We have firstly tested the proposed method in the challenging European-parliament dataset, which confirms the superiority of our method in revealing the semantic meanings, and better handling the semantic noise. Apart from the experimental results, we further provide an in-depth look at how the semantic model behaves, along with its superb generalization ability in real-life examples. An RL-based image transmission extension is also exemplified, so as to prove the generalization ability and motivate future discussion.
Over the past decades, statisticians and machine-learning researchers have developed literally thousands of new tools for the reduction of high-dimensional data in order to identify the variables most responsible for a particular trait. These tools have applications in a plethora of settings, including data analysis in the fields of business, education, forensics, and biology (such as microarray, proteomics, brain imaging), to name a few. In the present work, we focus our investigation on the limitations and potential misuses of certain tools in the analysis of the benchmark colon cancer data (2,000 variables; Alon et al., 1999) and the prostate cancer data (6,033 variables; Efron, 2010, 2008). Our analysis demonstrates that models that produce 100% accuracy measures often select different sets of genes and cannot stand the scrutiny of parameter estimates and model stability. Furthermore, we created a host of simulation datasets and "artificial diseases" to evaluate the reliability of commonly used statistical and data mining tools. We found that certain widely used models can classify the data with 100% accuracy without using any of the variables responsible for the diseas
To this day, a variety of approaches for providing local interpretability of black-box machine learning models have been introduced. Unfortunately, all of these methods suffer from one or more of the following deficiencies: They are either difficult to understand themselves, they work on a per-feature basis and ignore the dependencies between features and/or they only focus on those features asserting the decision made by the model. To address these points, this work introduces a reinforcement learning-based approach called Monte Carlo tree search for eXplainable Artificial Intelligent (McXai) to explain the decisions of any black-box classification model (classifier). Our method leverages Monte Carlo tree search and models the process of generating explanations as two games. In one game, the reward is maximized by finding feature sets that support the decision of the classifier, while in the second game, finding feature sets leading to alternative decisions maximizes the reward. The result is a human friendly representation as a tree structure, in which each node represents a set of features to be studied with smaller explanations at the top of the tree. Our experiments show, that the features found by our method are more informative with respect to classifications than those found by classical approaches like LIME and SHAP. Furthermore, by also identifying misleading features, our approach is able to guide towards improved robustness of the black-box model in many situations.
We introduce ES-MAML, a new framework for solving the model agnostic meta learning (MAML) problem based on Evolution Strategies (ES). Existing algorithms for MAML are based on policy gradients, and incur significant difficulties when attempting to estimate second derivatives using backpropagation on stochastic policies. We show how ES can be applied to MAML to obtain an algorithm which avoids the problem of estimating second derivatives, and is also conceptually simple and easy to implement. Moreover, ES-MAML can handle new types of nonsmooth adaptation operators, and other techniques for improving performance and estimation of ES methods become applicable. We show empirically that ES-MAML is competitive with existing methods and often yields better adaptation with fewer queries.
Modern buildings are densely equipped with smart energy meters, which periodically generate a massive amount of time-series data yielding few million data points every day. This data can be leveraged to discover the underlying loads, infer their energy consumption patterns, inter-dependencies on environmental factors, and the building's operational properties. Furthermore, it allows us to simultaneously identify anomalies present in the electricity consumption profiles, which is a big step towards saving energy and achieving global sustainability. However, to date, the lack of large-scale annotated energy consumption datasets hinders the ongoing research in anomaly detection. We contribute to this effort by releasing a well-annotated version of a publicly available ASHRAE Great Energy Predictor III data set containing 1,413 smart electricity meter time series spanning over one year. In addition, we benchmark the performance of eight state-of-the-art anomaly detection methods on our dataset and compare their performance.
Transfer learning approaches in reinforcement learning aim to assist agents in learning their target domains by leveraging the knowledge learned from other agents that have been trained on similar source domains. For example, recent research focus within this space has been placed on knowledge transfer between tasks that have different transition dynamics and reward functions; however, little focus has been placed on knowledge transfer between tasks that have different action spaces. In this paper, we approach the task of transfer learning between domains that differ in action spaces. We present a reward shaping method based on source embedding similarity that is applicable to domains with both discrete and continuous action spaces. The efficacy of our approach is evaluated on transfer to restricted action spaces in the Acrobot-v1 and Pendulum-v0 domains. A comparison with two baselines shows that our method does not outperform these baselines in these continuous action spaces but does show an improvement in these discrete action spaces. We conclude our analysis with future directions for this work.
While matrix variate regression models have been studied in many existing works, classical statistical and computational methods for the analysis of the regression coefficient estimation are highly affected by high dimensional and noisy matrix-valued predictors. To address these issues, this paper proposes a framework of matrix variate regression models based on a rank constraint, vector regularization (e.g., sparsity), and a general loss function with three special cases considered: ordinary matrix regression, robust matrix regression, and matrix logistic regression. We also propose an alternating projected gradient descent algorithm. Based on analyzing our objective functions on manifolds with bounded curvature, we show that the algorithm is guaranteed to converge, all accumulation points of the iterates have estimation errors in the order of $O(1/\sqrt{n})$ asymptotically and substantially attaining the minimax rate. Our theoretical analysis can be applied to general optimization problems on manifolds with bounded curvature and can be considered an important technical contribution to this work. We validate the proposed method through simulation studies and real image data examples.
In the past years, deep learning models have been successfully applied in several cognitive tasks. Originally inspired by neuroscience, these models are specific examples of differentiable programs. In this paper we define and motivate differentiable programming, as well as specify some program characteristics that allow us to incorporate the structure of the problem in a differentiable program. We analyze different types of differentiable programs, from more general to more specific, and evaluate, for a specific problem with a graph dataset, its structure and knowledge with several differentiable programs using those characteristics. Finally, we discuss some inherent limitations of deep learning and differentiable programs, which are key challenges in advancing artificial intelligence, and then analyze possible solutions
Survival analysis appears in various fields such as medicine, economics, engineering, and business. Recent studies showed that the Ordinary Differential Equation (ODE) modeling framework unifies many existing survival models while the framework is flexible and widely applicable. However, naively applying the ODE framework to survival analysis problems may model fiercely changing density function which may worsen the model's performance. Though we can apply L1 or L2 regularizers to the ODE model, their effect on the ODE modeling framework is barely known. In this paper, we propose hazard gradient penalty (HGP) to enhance the performance of a survival analysis model. Our method imposes constraints on local data points by regularizing the gradient of hazard function with respect to the data point. Our method applies to any survival analysis model including the ODE modeling framework and is easy to implement. We theoretically show that our method is related to minimizing the KL divergence between the density function at a data point and that of the neighborhood points. Experimental results on three public benchmarks show that our approach outperforms other regularization methods.
We describe a bootstrapping algorithm to learn from partially labeled data, and the results of an empirical study for using it to improve performance of sentiment classification using up to 15 million unlabeled Amazon product reviews. Our experiments cover semi-supervised learning, domain adaptation and weakly supervised learning. In some cases our methods were able to reduce test error by more than half using such large amount of data. NOTICE: This is only the supplementary material.
Traditionally, there are two models on differential privacy: the central model and the local model. The central model focuses on the machine learning model and the local model focuses on the training data. In this paper, we study the \textit{input perturbation} method in differentially private empirical risk minimization (DP-ERM), preserving privacy of the central model. By adding noise to the original training data and training with the `perturbed data', we achieve ($ε$,$δ$)-differential privacy on the final model, along with some kind of privacy on the original data. We observe that there is an interesting connection between the local model and the central model: the perturbation on the original data causes the perturbation on the gradient, and finally the model parameters. This observation means that our method builds a bridge between local and central model, protecting the data, the gradient and the model simultaneously, which is more superior than previous central methods. Detailed theoretical analysis and experiments show that our method achieves almost the same (or even better) performance as some of the best previous central methods with more protections on privacy, whi
Relational data representations have become an increasingly important topic due to the recent proliferation of network datasets (e.g., social, biological, information networks) and a corresponding increase in the application of statistical relational learning (SRL) algorithms to these domains. In this article, we examine a range of representation issues for graph-based relational data. Since the choice of relational data representation for the nodes, links, and features can dramatically affect the capabilities of SRL algorithms, we survey approaches and opportunities for relational representation transformation designed to improve the performance of these algorithms. This leads us to introduce an intuitive taxonomy for data representation transformations in relational domains that incorporates link transformation and node transformation as symmetric representation tasks. In particular, the transformation tasks for both nodes and links include (i) predicting their existence, (ii) predicting their label or type, (iii) estimating their weight or importance, and (iv) systematically constructing their relevant features. We motivate our taxonomy through detailed examples and use it to su
Exponential inequalities are main tools in machine learning theory. To prove exponential inequalities for non i.i.d random variables allows to extend many learning techniques to these variables. Indeed, much work has been done both on inequalities and learning theory for time series, in the past 15 years. However, for the non independent case, almost all the results concern stationary time series. This excludes many important applications: for example any series with a periodic behavior is non-stationary. In this paper, we extend the basic tools of Dedecker and Fan (2015) to nonstationary Markov chains. As an application, we provide a Bernstein-type inequality, and we deduce risk bounds for the prediction of periodic autoregressive processes with an unknown period.
