GenAI4ELab/papercli-papers huggingface dataset:
Provable Data Subset Selection For Efficient Neural Networks Training
Authors: Murad Tukan; Samson Zhou; Alaa Maalouf; Daniela Rus; Vladimir Braverman; Dan Feldman
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Radial basis function neural networks (*RBFNN*) are well-known for their capability to approximate any continuous function on a closed bounded set with arbitrary precision given enough hidden neurons. In this paper, we introduce the first algorithm to construct coresets for *RBFNNs*, i.e., small weighted subsets that approximate the loss of the input data on any radial basis function network and thus approximate any function defined by an *RBFNN* on the larger input data. In particular, we construct coresets for radial basis and Laplacian loss functions. We then use our coresets to obtain a provable data subset selection algorithm for training deep neural networks. Since our coresets approximate every function, they also approximate the gradient of each weight in a neural network, which is a particular function on the input. We then perform empirical evaluations on function approximation and dataset subset selection on popular network architectures and data sets, demonstrating the efficacy and accuracy of our coreset construction.
On the Stepwise Nature of Self-Supervised Learning
Authors: James B Simon; Maksis Knutins; Liu Ziyin; Daniel Geisz; Abraham J Fetterman; Joshua Albrecht
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We present a simple picture of the training process of self-supervised learning methods with dual deep networks. In our picture, these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this picture via the study of a linear toy model of Barlow Twins, applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of our toy model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a discrete, stepwise fashion, and find a closed-form expression for the final learned representations. Remarkably, we see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. This stepwise picture partially demystifies the process of self-supervised training.
How to Trust Your Diffusion Model: A Convex Optimization Approach to Conformal Risk Control
Authors: Jacopo Teneggi; Matthew Tivnan; Web Stayman; Jeremias Sulam
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term $K$-RCPS, which allows to $(i)$ provide entrywise calibrated intervals for future samples of any diffusion model, and $(ii)$ control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.
Estimating Causal Effects using a Multi-task Deep Ensemble
Authors: Ziyang Jiang; Zhuoran Hou; Yiling Liu; Yiman Ren; Keyu Li; David Carlson
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: A number of methods have been proposed for causal effect estimation, yet few have demonstrated efficacy in handling data with complex structures, such as images. To fill this gap, we propose Causal Multi-task Deep Ensemble (CMDE), a novel framework that learns both shared and group-specific information from the study population. We provide proofs demonstrating equivalency of CDME to a multi-task Gaussian process (GP) with a coregionalization kernel a priori. Compared to multi-task GP, CMDE efficiently handles high-dimensional and multi-modal covariates and provides pointwise uncertainty estimates of causal effects. We evaluate our method across various types of datasets and tasks and find that CMDE outperforms state-of-the-art methods on a majority of these tasks.
Controlling Posterior Collapse by an Inverse Lipschitz Constraint on the Decoder Network
Authors: Yuri Kinoshita; Kenta Oono; Kenji Fukumizu; Yuichi Yoshida; Shin-ichi Maeda
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Variational autoencoders (VAEs) are one of the deep generative models that have experienced enormous success over the past decades. However, in practice, they suffer from a problem called posterior collapse, which occurs when the posterior distribution coincides, or collapses, with the prior taking no information from the latent structure of the input data into consideration. In this work, we introduce an inverse Lipschitz neural network into the decoder and, based on this architecture, provide a new method that can control in a simple and clear manner the degree of posterior collapse for a wide range of VAE models equipped with a concrete theoretical guarantee. We also illustrate the effectiveness of our method through several numerical experiments.
Coordinate Descent Methods for Fractional Minimization
Authors: Ganzhao Yuan
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem *globally*, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak *locally bounded non-convexity condition*, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.
Subsample Ridge Ensembles: Equivalences and Generalized Cross-Validation
Authors: Jin-Hong Du; Pratik Patil; Arun K. Kuchibhotla
Venue: ICML 2023 (ICML 2023 OralPoster)

Abstract: We study subsampling-based ridge ensembles in the proportional asymptotics regime, where the feature size grows proportionally with the sample size such that their ratio converges to a constant. By analyzing the squared prediction risk of ridge ensembles as a function of the explicit penalty $\lambda$ and the limiting subsample aspect ratio $\phi_s$ (the ratio of the feature size to the subsample size), we characterize contours in the $(\lambda, \phi_s)$-plane at any achievable risk. As a consequence, we prove that the risk of the optimal full ridgeless ensemble (fitted on all possible subsamples) matches that of the optimal ridge predictor. In addition, we prove strong uniform consistency of generalized cross-validation (GCV) over the subsample sizes for estimating the prediction risk of ridge ensembles. This allows for GCV-based tuning of full ridgeless ensembles without sample splitting and yields a predictor whose risk matches optimal ridge risk.
Interpretable Neural-Symbolic Concept Reasoning
Authors: Pietro Barbiero; Gabriele Ciravegna; Francesco Giannini; Mateo Espinosa Zarlenga; Lucie Charlotte Magister; Alberto Tonda; Pietro Lio; Frederic Precioso; Mateja Jamnik; Giuseppe Marra
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Deep learning methods are highly accurate, yet their opaque decision process prevents them from earning full human trust. Concept-based models aim to address this issue by learning tasks based on a set of human-understandable concepts. However, state-of-the-art concept-based models rely on high-dimensional concept embedding representations which lack a clear semantic meaning, thus questioning the interpretability of their decision process. To overcome this limitation, we propose the Deep Concept Reasoner (DCR), the first interpretable concept-based model that builds upon concept embeddings. In DCR, neural networks do not make task predictions directly, but they build syntactic rule structures using concept embeddings. DCR then executes these rules on meaningful concept truth degrees to provide a final interpretable and semantically-consistent prediction in a differentiable manner. Our experiments show that DCR: (i) improves up to +25% w.r.t. state-of-the-art interpretable concept-based models on challenging benchmarks (ii) discovers meaningful logic rules matching known ground truths even in the absence of concept supervision during training, and (iii), facilitates the generation of counterfactual examples providing the learnt rules as guidance.
Incentivizing Exploration with Linear Contexts and Combinatorial Actions
Authors: Mark Sellke
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We advance the study of incentivized bandit exploration, in which arm choices are viewed as recommendations and are required to be Bayesian incentive compatible. Recent work of Sellke-Slivkins (Operations Research 2022) has shown that for the special case of independent arms, after collecting enough initial samples, the popular Thompson sampling algorithm becomes incentive compatible. This was generalized to the combinatorial semibandit in Hu-Ngo-Slivkins-Wu (NeurIPS 2022). We give an analog of this result for linear bandits, where the independence of the prior is replaced by a natural convexity condition. This opens up the possibility of efficient and regret-optimal incentivized exploration in high-dimensional action spaces. In the semibandit model, we also improve the sample complexity for the pre-Thompson sampling phase of initial data collection.
Towards Robust Graph Incremental Learning on Evolving Graphs
Authors: Junwei Su; Difan Zou; Zijun Zhang; Chuan Wu
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Incremental learning is a machine learning approach that involves training a model on a sequence of tasks, rather than all tasks at once. This ability to learn incrementally from a stream of tasks is crucial for many real-world applications. However, incremental learning is a challenging problem on graph-structured data, as many graph-related problems involve prediction tasks for each individual node, known as Node-wise Graph Incremental Learning (NGIL). This introduces non-independent and non-identically distributed characteristics in the sample data generation process, making it difficult to maintain the performance of the model as new tasks are added. In this paper, we focus on the inductive NGIL problem, which accounts for the evolution of graph structure (structural shift) induced by emerging tasks. We provide a formal formulation and analysis of the problem, and propose a novel regularization-based technique called Structural-Shift-Risk-Mitigation (SSRM) to mitigate the impact of the structural shift on catastrophic forgetting of the inductive NGIL problem. We show that the structural shift can lead to a shift in the input distribution for the existing tasks, and further lead to an increased risk of catastrophic forgetting. Through comprehensive empirical studies with several benchmark datasets, we demonstrate that our proposed method, Structural-Shift-Risk-Mitigation (SSRM), is flexible and easy to adapt to improve the performance of state-of-the-art GNN incremental learning frameworks in the inductive setting.
Proximal Causal Learning of Conditional Average Treatment Effects
Authors: Erik Sverdrup; Yifan Cui
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Efficiently and flexibly estimating treatment effect heterogeneity is an important task in a wide variety of settings ranging from medicine to marketing, and there are a considerable number of promising conditional average treatment effect estimators currently available. These, however, typically rely on the assumption that the measured covariates are enough to justify conditional exchangeability. We propose the P-learner, motivated by the R- and DR-learner, a tailored two-stage loss function for learning heterogeneous treatment effects in settings where exchangeability given observed covariates is an implausible assumption, and we wish to rely on proxy variables for causal inference. Our proposed estimator can be implemented by off-the-shelf loss-minimizing machine learning methods, which in the case of kernel regression satisfies an oracle bound on the estimated error as long as the nuisance components are estimated reasonably well.
SAM operates far from home: eigenvalue regularization as a dynamical phenomenon
Authors: Atish Agarwala; Yann Dauphin
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: The Sharpness Aware Minimization (SAM) optimization algorithm has been shown to control large eigenvalues of the loss Hessian and provide generalization benefits in a variety of settings. The original motivation for SAM was a modified loss function which penalized sharp minima; subsequent analyses have also focused on the behavior near minima. However, our work reveals that SAM provides a strong regularization of the eigenvalues throughout the learning trajectory. We show that in a simplified setting, SAM dynamically induces a stabilization related to the edge of stability (EOS) phenomenon observed in large learning rate gradient descent. Our theory predicts the largest eigenvalue as a function of the learning rate and SAM radius parameters. Finally, we show that practical models can also exhibit this EOS stabilization, and that understanding SAM must account for these dynamics far away from any minima.
Dimensionality Reduction for General KDE Mode Finding
Authors: Xinyu Luo; Christopher P Musco; Cas Widdershoven
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Finding the mode of a high dimensional probability distribution $\mathcal{D}$ is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when $\mathcal{D}$ is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy $(1-\epsilon)$ for any $\epsilon > 0$. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless $\mathit{P} = \mathit{NP}$. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.
Likelihood Adjusted Semidefinite Programs for Clustering Heterogeneous Data
Authors: Yubo Zhuang; Xiaohui Chen; Yun Yang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed $K$-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including $K$-means, SDP and EM algorithms.
Markovian Gaussian Process Variational Autoencoders
Authors: Harrison Zhu; Carles Balsells-Rodas; Yingzhen Li
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Sequential VAEs have been successfully considered for many high-dimensional time series modelling problems, with many variant models relying on discrete-time mechanisms such as recurrent neural networks (RNNs). On the other hand, continuous-time methods have recently gained attraction, especially in the context of irregularly-sampled time series, where they can better handle the data than discrete-time methods. One such class are Gaussian process variational autoencoders (GPVAEs), where the VAE prior is set as a Gaussian process (GP). However, a major limitation of GPVAEs is that it inherits the cubic computational cost as GPs, making it unattractive to practioners. In this work, we leverage the equivalent discrete state space representation of Markovian GPs to enable linear time GPVAE training via Kalman filtering and smoothing. For our model, Markovian GPVAE (MGPVAE), we show on a variety of high-dimensional temporal and spatiotemporal tasks that our method performs favourably compared to existing approaches whilst being computationally highly scalable.
Efficient Bound of Lipschitz Constant for Convolutional Layers by Gram Iteration
Authors: Blaise Delattre; Quentin Barthélemy; Alexandre Araujo; Alexandre Allauzen
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Since the control of the Lipschitz constant has a great impact on the training stability, generalization, and robustness of neural networks, the estimation of this value is nowadays a real scientific challenge. In this paper we introduce a precise, fast, and differentiable upper bound for the spectral norm of convolutional layers using circulant matrix theory and a new alternative to the Power iteration. Called the Gram iteration, our approach exhibits a superlinear convergence. First, we show through a comprehensive set of experiments that our approach outperforms other state-of-the-art methods in terms of precision, computational cost, and scalability. Then, it proves highly effective for the Lipschitz regularization of convolutional neural networks, with competitive results against concurrent approaches.
Tight Regret Bounds for Single-pass Streaming Multi-armed Bandits
Authors: Chen Wang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Regret minimization in streaming multi-armed bandits (MABs) has been studied extensively, and recent work has shown that algorithms with $o(K)$ memory have to incur $\Omega(T^{2/3})$ regret, where $K$ and $T$ are the numbers of arms and trials. However, the previous best regret upper bound is still $O(K^{1/3} T^{2/3}\log^{1/3}(T))$, which is achieved by the simple uniform exploration algorithm. In this paper, we close this gap and complete the picture of regret minimization in single-pass streaming MABs. We first improve the regret lower bound to $\Omega(K^{1/3}T^{2/3})$ for algorithms with $o(K)$ memory. We then show that the $\log^{1/3}(T)$ factor is not necessary by designing algorithms with at most $O(\log^*(K))$-arm memory and achieve $O(K^{1/3}T^{2/3})$ expected regret based on streaming $\varepsilon$-best arm algorithms. We further tested the empirical performances of our algorithms on simulated MABs instances, where the proposed algorithms outperform the benchmark uniform exploration algorithm by a large margin and, on occasion, reduce the regret by up to 70%.
Approximation Algorithms for Fair Range Clustering
Authors: Sedjro Salomon Hotegni; Sepideh Mahabadi; Ali Vakilian
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: This paper studies the fair range clustering problem in which the data points are from different demographic groups and the goal is to pick $k$ centers with the minimum clustering cost such that each group is at least minimally represented in the centers set and no group dominates the centers set. More precisely, given a set of $n$ points in a metric space $(P, d)$ where each point belongs to one of the $\ell$ different demographics (i.e., $P = P_1 \uplus P_2 \uplus \cdots \uplus P_\ell$) and a set of $\ell$ intervals $[\alpha_1, \beta_1], \cdots, [\alpha_\ell, \beta_\ell]$ on desired number of centers from each group, the goal is to pick a set of $k$ centers $C$ with minimum $\ell_p$-clustering cost (i.e., $(\sum_{v\in P} d(v,C)^p)^{1/p}$) such that for each group $i\in \ell$, $|C\cap P_i| \in [\alpha_i, \beta_i]$. In particular, the fair range $\ell_p$-clustering captures fair range $k$-center, $k$-median and $k$-means as its special cases. In this work, we provide an efficient constant factor approximation algorithm for the fair range $\ell_p$-clustering for all values of $p\in [1,\infty)$.