mtybilly/Instruct2DS huggingface dataset:
Generated Graph Detection
Authors: Ma, Yihan and Zhang, Zhikun and Yu, Ning and He, Xinlei and Backes, Michael and Shen, Yun and Zhang, Yang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Graph generative models become increasingly effective for data distribution approximation and data augmentation. While they have aroused public concerns about their malicious misuses or misinformation broadcasts, just as what Deepfake visual and auditory media has been delivering to society. Hence it is essential to regulate the prevalence of generated graphs. To tackle this problem, we pioneer the formulation of the generated graph detection problem to distinguish generated graphs from real ones. We propose the first framework to systematically investigate a set of sophisticated models and their performance in four classification scenarios. Each scenario switches between seen and unseen datasets/generators during testing to get closer to real-world settings and progressively challenge the classifiers. Extensive experiments evidence that all the models are qualified for generated graph detection, with specific models having advantages in specific scenarios. Resulting from the validated generality and oblivion of the classifiers to unseen datasets/generators, we draw a safe conclusion that our solution can sustain for a decent while to curb generated graph misuses.
Calibrating Multimodal Learning
Authors: Ma, Huan and Zhang, Qingyang and Zhang, Changqing and Wu, Bingzhe and Fu, Huazhu and Zhou, Joey Tianyi and Hu, Qinghua
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Multimodal machine learning has achieved remarkable progress in a wide range of scenarios. However, the reliability of multimodal learning remains largely unexplored. In this paper, through extensive empirical studies, we identify current multimodal classification methods suffer from unreliable predictive confidence that tend to rely on partial modalities when estimating confidence. Specifically, we find that the confidence estimated by current models could even increase when some modalities are corrupted. To address the issue, we introduce an intuitive principle for multimodal learning, i.e., the confidence should not increase when one modality is removed. Accordingly, we propose a novel regularization technique, i.e., Calibrating Multimodal Learning (CML) regularization, to calibrate the predictive confidence of previous methods. This technique could be flexibly equipped by existing models and improve the performance in terms of confidence calibration, classification accuracy, and model robustness.
AutoCoreset: An Automatic Practical Coreset Construction Framework
Authors: Maalouf, Alaa and Tukan, Murad and Braverman, Vladimir and Rus, Daniela
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: A coreset is a small weighted subset of an input set that approximates its loss function, for a given set of queries. Coresets became prevalent in machine learning as they have shown to be advantageous for many applications. Unfortunately, coresets are constructed in a problem-dependent manner, where for each problem, a new coreset construction algorithm is suggested, taking years to prove its correctness. Even the generic frameworks require additional (problem-dependent) computations or proofs to be done by the user. Besides, many problems do not have (provable) small coresets, limiting their applicability. To this end, we suggest an automatic practical framework for constructing coresets, which requires (only) the input data and the desired cost function from the user, without the need for any other task-related computation to be done by the user. To do so, we reduce the problem of approximating a loss function to an instance of vector summation approximation, where the vectors we aim to sum are loss vectors of a specific subset of the queries, such that we aim to approximate the image of the function on this subset. We show that while this set is limited, the coreset is quite general. An extensive experimental study on various machine learning applications is also conducted. Finally, we provide a “plug and play" style implementation, proposing a user-friendly system that can be easily used to apply coresets for many problems. We believe that these contributions enable future research and easier use and applications of coresets.
Learning GFlowNets From Partial Episodes For Improved Convergence And Stability
Authors: Madan, Kanika and Rector-Brooks, Jarrid and Korablyov, Maksym and Bengio, Emmanuel and Jain, Moksh and Nica, Andrei Cristian and Bosc, Tom and Bengio, Yoshua and Malkin, Nikolay
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing training objectives for GFlowNets are either local to states or transitions, or propagate a reward signal over an entire sampling trajectory. We argue that these alternatives represent opposite ends of a gradient bias-variance tradeoff and propose a way to exploit this tradeoff to mitigate its harmful effects. Inspired by the TD($łambda$) algorithm in reinforcement learning, we introduce <em>subtrajectory balance</em> or SubTB($łambda$), a GFlowNet training objective that can learn from partial action subsequences of varying lengths. We show that SubTB($łambda$) accelerates sampler convergence in previously studied and new environments and enables training GFlowNets in environments with longer action sequences and sparser reward landscapes than what was possible before. We also perform a comparative analysis of stochastic gradient dynamics, shedding light on the bias-variance tradeoff in GFlowNet training and the advantages of subtrajectory balance.
Applied Online Algorithms with Heterogeneous Predictors
Authors: Maghakian, Jessica and Lee, Russell and Hajiesmaili, Mohammad and Li, Jian and Sitaraman, Ramesh and Liu, Zhenhua
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: For many application domains, the integration of machine learning (ML) models into decision making is hindered by the poor explainability and theoretical guarantees of black box models. Although the emerging area of algorithms with predictions offers a way to leverage ML while enjoying worst-case guarantees, existing work usually assumes access to only one predictor. We demonstrate how to more effectively utilize historical datasets and application domain knowledge by intentionally using predictors of <em>different</em> quantities. By leveraging the heterogeneity in our predictors, we are able to achieve improved performance, explainability and computational efficiency over predictor-agnostic methods. Theoretical results are supplemented by large-scale empirical evaluations with production data demonstrating the success of our methods on optimization problems occurring in large distributed computing systems.
CSP: Self-Supervised Contrastive Spatial Pre-Training for Geospatial-Visual Representations
Authors: Mai, Gengchen and Lao, Ni and He, Yutong and Song, Jiaming and Ermon, Stefano
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Geo-tagged images are publicly available in large quantities, whereas labels such as object classes are rather scarce and expensive to collect. Meanwhile, contrastive learning has achieved tremendous success in various natural image and language tasks with limited labeled data. However, existing methods fail to fully leverage geospatial information, which can be paramount to distinguishing objects that are visually similar. To directly leverage the abundant geospatial information associated with images in pre-training, fine-tuning, and inference stages, we present Contrastive Spatial Pre-Training (CSP), a self-supervised learning framework for geo-tagged images. We use a dual-encoder to separately encode the images and their corresponding geo-locations, and use contrastive objectives to learn effective location representations from images, which can be transferred to downstream supervised tasks such as image classification. Experiments show that CSP can improve model performance on both iNat2018 and fMoW datasets. Especially, on iNat2018, CSP significantly boosts the model performance with 10-34% relative improvement with various labeled training data sampling ratios.
Vertical Federated Graph Neural Network for Recommender System
Authors: Mai, Peihua and Pang, Yan
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Conventional recommender systems are required to train the recommendation model using a centralized database. However, due to data privacy concerns, this is often impractical when multi-parties are involved in recommender system training. Federated learning appears as an excellent solution to the data isolation and privacy problem. Recently, Graph neural network (GNN) is becoming a promising approach for federated recommender systems. However, a key challenge is to conduct embedding propagation while preserving the privacy of the graph structure. Few studies have been conducted on the federated GNN-based recommender system. Our study proposes the first vertical federated GNN-based recommender system, called VerFedGNN. We design a framework to transmit: (i) the summation of neighbor embeddings using random projection, and (ii) gradients of public parameter perturbed by ternary quantization mechanism. Empirical studies show that VerFedGNN has competitive prediction accuracy with existing privacy preserving GNN frameworks while enhanced privacy protection for users’ interaction information.
Can Neural Network Memorization Be Localized?
Authors: Maini, Pratyush and Mozer, Michael Curtis and Sedghi, Hanie and Lipton, Zachary Chase and Kolter, J Zico and Zhang, Chiyuan
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Recent efforts at explaining the interplay of memorization and generalization in deep overparametrized networks have posited that neural networks <em>memorize</em> “hard” examples in the final few layers of the model. Memorization refers to the ability to correctly predict on <em>atypical</em> examples of the training set. In this work, we show that rather than being confined to individual layers, memorization is a phenomenon confined to a small set of neurons in various layers of the model. First, via three experimental sources of converging evidence, we find that most layers are redundant for the memorization of examples and the layers that contribute to example memorization are, in general, not the final layers. The three sources are <em>gradient accounting</em> (measuring the contribution to the gradient norms from memorized and clean examples), <em>layer rewinding</em> (replacing specific model weights of a converged model with previous training checkpoints), and <em>retraining</em> (training rewound layers only on clean examples). Second, we ask a more generic question: can memorization be localized <em>anywhere</em> in a model? We discover that memorization is often confined to a small number of neurons or channels (around 5) of the model. Based on these insights we propose a new form of dropout—<em>example-tied dropout</em> that enables us to direct the memorization of examples to an aprior determined set of neurons. By dropping out these neurons, we are able to reduce the accuracy on memorized examples from 100% to 3%, while also reducing the generalization gap.
Fundamental Tradeoffs in Learning with Prior Information
Authors: Majumdar, Anirudha
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We seek to understand fundamental tradeoffs between the accuracy of prior information that a learner has on a given problem and its learning performance. We introduce the notion of prioritized risk, which differs from traditional notions of minimax and Bayes risk by allowing us to study such fundamental tradeoffs in settings where reality does not necessarily conform to the learner’s prior. We present a general reduction-based approach for extending classical minimax lower-bound techniques in order to lower bound the prioritized risk for statistical estimation problems. We also introduce a novel generalization of Fano’s inequality (which may be of independent interest) for lower bounding the prioritized risk in more general settings involving unbounded losses. We illustrate the ability of our framework to provide insights into tradeoffs between prior information and learning performance for problems in estimation, regression, and reinforcement learning.
Additive Causal Bandits with Unknown Graph
Authors: Malek, Alan and Aglietti, Virginia and Chiappa, Silvia
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We explore algorithms to select actions in the causal bandit setting where the learner can choose to intervene on a set of random variables related by a causal graph, and the learner sequentially chooses interventions and observes a sample from the interventional distribution. The learner’s goal is to quickly find the intervention, among all interventions on observable variables, that maximizes the expectation of an outcome variable. We depart from previous literature by assuming no knowledge of the causal graph except that latent confounders between the outcome and its ancestors are not present. We first show that the unknown graph problem can be exponentially hard in the parents of the outcome. To remedy this, we adopt an additional additive assumption on the outcome which allows us to solve the problem by casting it as an additive combinatorial linear bandit problem with full-bandit feedback. We propose a novel action-elimination algorithm for this setting, show how to apply this algorithm to the causal bandit problem, provide sample complexity bounds, and empirically validate our findings on a suite of randomly generated causal models, effectively showing that one does not need to explicitly learn the parents of the outcome to identify the best intervention.
Weighted Tallying Bandits: Overcoming Intractability via Repeated Exposure Optimality
Authors: Malik, Dhruv and Igoe, Conor and Li, Yuanzhi and Singh, Aarti
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In human-interactive applications of online learning, a human’s preferences or abilities are often a function of the algorithm’s recent actions. Motivated by this, a significant line of work has formalized settings where an action’s loss is a function of the number of times it was played in the prior $m$ timesteps, where $m$ corresponds to a bound on human memory capacity. To more faithfully capture decay of human memory with time, we introduce the Weighted Tallying Bandit (WTB), which generalizes this setting by requiring that an action’s loss is a function of a <em>weighted</em> summation of the number of times it was played in the last $m$ timesteps. WTB is intractable without further assumption. So we study it under Repeated Exposure Optimality (REO), a condition requiring the existence of an action that when repetitively played will eventually yield smaller loss than any other action sequence. We study the minimization of complete policy regret (CPR), which is the strongest notion of regret, in WTB under REO. Since $m$ is often unknown, we only assume access to an upper bound $M$ on $m$. We show that for problems with $K$ actions and horizon $T$, a simple modification of the successive elimination algorithm has $\mathcalO łeft( \sqrtKT + (m+M)K i̊ght)$ CPR. Upto an additive (in lieu of mutliplicative) factor in $(m+M)K$, this recovers the classical guarantee for the far simpler stochastic multi-armed bandit with traditional regret. We additionally show that in our setting, any algorithm will suffer additive CPR of $Ømega łeft( mK + M \g̊ht)$, demonstrating our result is near optimal. Our method is computationally efficient, and we experimentally demonstrate its practicality and superiority over various baselines.
A Kernel-Based View of Language Model Fine-Tuning
Authors: Malladi, Sadhika and Wettig, Alexander and Yu, Dingli and Chen, Danqi and Arora, Sanjeev
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: It has become standard to solve NLP tasks by fine-tuning pre-trained language models (LMs), especially in low-data settings. There is minimal theoretical understanding of empirical success, e.g., why fine-tuning a model with $10^8$ or more parameters on a couple dozen training points does not result in overfitting. We investigate whether the Neural Tangent Kernel (NTK)—which originated as a model to study the gradient descent dynamics of infinitely wide networks with suitable random initialization—describes fine-tuning of pre-trained LMs. This study was inspired by the decent performance of NTK for computer vision tasks (Wei et al., 2022). We extend the NTK formalism to Adam and use Tensor Programs (Yang, 2020) to characterize conditions under which the NTK lens may describe fine-tuning updates to pre-trained language models. Extensive experiments on 14 NLP tasks validate our theory and show that formulating the downstream task as a masked word prediction problem through prompting often induces kernel-based dynamics during fine-tuning. Finally, we use this kernel view to propose an explanation for the success of parameter-efficient subspace-based fine-tuning methods.
Performative Reinforcement Learning
Authors: Mandal, Debmalya and Triantafyllou, Stelios and Radanovic, Goran
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We introduce the framework of performative reinforcement learning where the policy chosen by the learner affects the underlying reward and transition dynamics of the environment. Following the recent literature on performative prediction (Perdomo et al., 2020), we introduce the concept of performatively stable policy. We then consider a regularized version of the reinforcement learning problem and show that repeatedly optimizing this objective converges to a performatively stable policy under reasonable assumptions on the transition dynamics. Our proof utilizes the dual perspective of the reinforcement learning problem and may be of independent interest in analyzing the convergence of other algorithms with decision-dependent environments. We then extend our results for the setting where the learner just performs gradient ascent steps instead of fully optimizing the objective, and for the setting where the learner has access to a finite number of trajectories from the changed environment. For both the settings, we leverage the dual formulation of performative reinforcement learning, and establish convergence to a stable solution. Finally, through extensive experiments on a grid-world environment, we demonstrate the dependence of convergence on various parameters e.g. regularization, smoothness, and the number of samples.
Differential Privacy has Bounded Impact on Fairness in Classification
Authors: Mangold, Paul and Perrot, Michaël and Bellet, Aurélien and Tommasi, Marc
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We theoretically study the impact of differential privacy on fairness in classification. We prove that, given a class of models, popular group fairness measures are pointwise Lipschitz-continuous with respect to the parameters of the model. This result is a consequence of a more general statement on accuracy conditioned on an arbitrary event (such as membership to a sensitive group), which may be of independent interest. We use this Lipschitz property to prove a non-asymptotic bound showing that, as the number of samples increases, the fairness level of private models gets closer to the one of their non-private counterparts. This bound also highlights the importance of the confidence margin of a model on the disparate impact of differential privacy.
Random Classification Noise does not defeat All Convex Potential Boosters Irrespective of Model Choice
Authors: Mansour, Yishay and Nock, Richard and Williamson, Robert
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: A landmark negative result of Long and Servedio has had a considerable impact on research and development in boosting algorithms, around the now famous tagline that "noise defeats all convex boosters". In this paper, we appeal to the half-century+ founding theory of losses for class probability estimation, an extension of Long and Servedio’s results and a new general convex booster to demonstrate that the source of their negative result is in fact the <em>model class</em>, linear separators. Losses or algorithms are neither to blame. This leads us to a discussion on an otherwise praised aspect of ML, <em>parameterisation</em>.
$H$-Consistency Bounds for Pairwise Misranking Loss Surrogates
Authors: Mao, Anqi and Mohri, Mehryar and Zhong, Yutao
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We present a detailed study of <em>$H$-consistency bounds</em> for score-based ranking. These are upper bounds on the target loss estimation error of a predictor in a hypothesis set $H$, expressed in terms of the surrogate loss estimation error of that predictor. We will show that both in the <em>general pairwise ranking</em> scenario and in the <em>bipartite ranking</em> scenario, there are no meaningful $H$-consistency bounds for most hypothesis sets used in practice including the family of linear models and that of the neural networks, which satisfy the equicontinuous property with respect to the input. To come up with ranking surrogate losses with theoretical guarantees, we show that a natural solution consists of resorting to a <em>pairwise abstention loss</em> in the general pairwise ranking scenario, and similarly, a <em>bipartite abstention loss</em> in the bipartite ranking scenario, to abstain from making predictions at some limited cost $c$. For surrogate losses of these abstention loss functions, we give a series of $H$-consistency bounds for both the family of linear functions and that of neural networks with one hidden-layer. Our experimental results illustrate the effectiveness of ranking with abstention.
Cross-Entropy Loss Functions: Theoretical Analysis and Applications
Authors: Mao, Anqi and Mohri, Mehryar and Zhong, Yutao
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, <em>comp-sum losses</em>, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first $H$-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set $H$ used. We further show that our bounds are <em>tight</em>. These bounds depend on quantities called <em>minimizability gaps</em>. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, <em>smooth adversarial comp-sum losses</em>, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit $H$-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.
Supported Trust Region Optimization for Offline Reinforcement Learning
Authors: Mao, Yixiu and Zhang, Hongchang and Chen, Chen and Xu, Yi and Ji, Xiangyang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Offline reinforcement learning suffers from the out-of-distribution issue and extrapolation error. Most policy constraint methods regularize the density of the trained policy towards the behavior policy, which is too restrictive in most cases. We propose Supported Trust Region optimization (STR) which performs trust region policy optimization with the policy constrained within the support of the behavior policy, enjoying the less restrictive support constraint. We show that, when assuming no approximation and sampling error, STR guarantees strict policy improvement until convergence to the optimal support-constrained policy in the dataset. Further with both errors incorporated, STR still guarantees safe policy improvement for each step. Empirical results validate the theory of STR and demonstrate its state-of-the-art performance on MuJoCo locomotion domains and much more challenging AntMaze domains.
Robust Perception through Equivariance
Authors: Mao, Chengzhi and Zhang, Lingyu and Joshi, Abhishek Vaibhav and Yang, Junfeng and Wang, Hao and Vondrick, Carl
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Deep networks for computer vision are not reliable when they encounter adversarial examples. In this paper, we introduce a framework that uses the dense intrinsic constraints in natural images to robustify inference. By introducing constraints at inference time, we can shift the burden of robustness from training to testing, thereby allowing the model to dynamically adjust to each individual image’s unique and potentially novel characteristics at inference time. Our theoretical results show the importance of having dense constraints at inference time. In contrast to existing single-constraint methods, we propose to use equivariance, which naturally allows dense constraints at a fine-grained level in the feature space. Our empirical experiments show that restoring feature equivariance at inference time defends against worst-case adversarial perturbations. The method obtains improved adversarial robustness on four datasets (ImageNet, Cityscapes, PASCAL VOC, and MS-COCO) on image recognition, semantic segmentation, and instance segmentation tasks.
Reliable Measures of Spread in High Dimensional Latent Spaces
Authors: Marbut, Anna and Mckinney-Bock, Katy and Wheeler, Travis
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Understanding geometric properties of the latent spaces of natural language processing models allows the manipulation of these properties for improved performance on downstream tasks. One such property is the amount of data spread in a model’s latent space, or how fully the available latent space is being used. We demonstrate that the commonly used measures of data spread, average cosine similarity and a partition function min/max ratio I(V), do not provide reliable metrics to compare the use of latent space across data distributions. We propose and examine six alternative measures of data spread, all of which improve over these current metrics when applied to seven synthetic data distributions. Of our proposed measures, we recommend one principal component-based measure and one entropy-based measure that provide reliable, relative measures of spread and can be used to compare models of different sizes and dimensionalities.
SRATTA: Sample Re-ATTribution Attack of Secure Aggregation in Federated Learning.
Authors: Marchand, Tanguy and Loeb, Regis and Marteau-Ferey, Ulysse and Ogier Du Terrail, Jean and Pignet, Arthur
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider a federated learning (FL) setting where a machine learning model with a fully connected first layer is trained between different clients and a central server using FedAvg, and where the aggregation step can be performed with secure aggregation (SA). We present SRATTA an attack relying only on aggregated models which, under realistic assumptions, (i) recovers data samples from the different clients, and (ii) groups data samples coming from the same client together. While sample recovery has already been explored in an FL setting, the ability to group samples per client, despite the use of SA, is novel. This poses a significant unforeseen security threat to FL and effectively breaks SA. We show that SRATTA is both theoretically grounded and can be used in practice on realistic models and datasets. We also propose counter-measures, and claim that clients should play an active role to guarantee their privacy during training.
Neuro-Symbolic Continual Learning: Knowledge, Reasoning Shortcuts and Concept Rehearsal
Authors: Marconato, Emanuele and Bontempo, Gianpaolo and Ficarra, Elisa and Calderara, Simone and Passerini, Andrea and Teso, Stefano
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We introduce Neuro-Symbolic Continual Learning, where a model has to solve a sequence of neuro-symbolic tasks, that is, it has to map sub-symbolic inputs to high-level concepts and compute predictions by reasoning consistently with prior knowledge. Our key observation is that neuro-symbolic tasks, although different, often share concepts whose semantics remains stable over time. Traditional approaches fall short: existing continual strategies ignore knowledge altogether, while stock neuro-symbolic architectures suffer from catastrophic forgetting. We show that leveraging prior knowledge by combining neuro-symbolic architectures with continual strategies does help avoid catastrophic forgetting, but also that doing so can yield models affected by reasoning shortcuts. These undermine the semantics of the acquired concepts, even when detailed prior knowledge is provided upfront and inference is exact, and in turn continual performance. To overcome these issues, we introduce COOL, a COncept-level cOntinual Learning strategy tailored for neuro-symbolic continual problems that acquires high-quality concepts and remembers them over time. Our experiments on three novel benchmarks highlights how COOL attains sustained high performance on neuro-symbolic continual learning tasks in which other strategies fail.
Evaluating Unsupervised Denoising Requires Unsupervised Metrics
Authors: Marcos Morales, Adria and Leibovich, Matan and Mohan, Sreyas and Vincent, Joshua Lawrence and Haluai, Piyush and Tan, Mai and Crozier, Peter and Fernandez-Granda, Carlos
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Unsupervised denoising is a crucial challenge in real-world imaging applications. Unsupervised deep-learning methods have demonstrated impressive performance on benchmarks based on synthetic noise. However, no metrics exist to evaluate these methods in an unsupervised fashion. This is highly problematic for the many practical applications where ground-truth clean images are not available. In this work, we propose two novel metrics: the unsupervised mean squared error (MSE) and the unsupervised peak signal-to-noise ratio (PSNR), which are computed using only noisy data. We provide a theoretical analysis of these metrics, showing that they are asymptotically consistent estimators of the supervised MSE and PSNR. Controlled numerical experiments with synthetic noise confirm that they provide accurate approximations in practice. We validate our approach on real-world data from two imaging modalities: videos in raw format and transmission electron microscopy. Our results demonstrate that the proposed metrics enable unsupervised evaluation of denoising methods based exclusively on noisy data.
Regions of Reliability in the Evaluation of Multivariate Probabilistic Forecasts
Authors: Marcotte, Étienne and Zantedeschi, Valentina and Drouin, Alexandre and Chapados, Nicolas
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Multivariate probabilistic time series forecasts are commonly evaluated via proper scoring rules, i.e., functions that are minimal in expectation for the ground-truth distribution. However, this property is not sufficient to guarantee good discrimination in the non-asymptotic regime. In this paper, we provide the first systematic finite-sample study of proper scoring rules for time series forecasting evaluation. Through a power analysis, we identify the “region of reliability” of a scoring rule, i.e., the set of practical conditions where it can be relied on to identify forecasting errors. We carry out our analysis on a comprehensive synthetic benchmark, specifically designed to test several key discrepancies between ground-truth and forecast distributions, and we gauge the generalizability of our findings to real-world tasks with an application to an electricity production problem. Our results reveal critical shortcomings in the evaluation of multivariate probabilistic forecasts as commonly performed in the literature.
Analyzing Diffusion as Serial Reproduction
Authors: Marjieh, Raja and Sucholutsky, Ilia and Langlois, Thomas A and Jacoby, Nori and Griffiths, Thomas L.
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.
Quantized Distributed Training of Large Models with Convergence Guarantees
Authors: Markov, Ilia and Vladu, Adrian and Guo, Qi and Alistarh, Dan
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Communication-reduction techniques are a popular way to improve scalability in data-parallel training of deep neural networks (DNNs). The recent emergence of large language models such as GPT has created the need for new approaches to exploit data-parallelism. Among these, fully-sharded data parallel (FSDP) training is highly popular, yet it still encounters scalability bottlenecks. One reason is that applying compression techniques to FSDP is challenging: as the vast majority of the communication involves the model’s weights, direct compression alters convergence and leads to accuracy loss. We present QSDP, a variant of FSDP which supports both gradient and weight quantization with theoretical guarantees, is simple to implement and has essentially no overheads. To derive QSDP we prove that a natural modification of SGD achieves convergence even when we only maintain quantized weights, and thus the domain over which we train consists of quantized points and is, therefore, highly non-convex. We validate this approach by training GPT-family models with up to 1.3 billion parameters on a multi-node cluster. Experiments show that QSDP preserves model accuracy, while completely removing the communication bottlenecks of FSDP, providing end-to-end speedups of up to 2.2x.
Efficient Transformed Gaussian Processes for Non-Stationary Dependent Multi-class Classification
Authors: Maroñas, Juan and Hernández-Lobato, Daniel
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This work introduces the Efficient Transformed Gaussian Process (ETGP), a new way of creating $C$ stochastic processes characterized by: 1) the $C$ processes are non-stationary, 2) the $C$ processes are dependent by construction without needing a mixing matrix, 3) training and making predictions is very efficient since the number of Gaussian Processes (GP) operations (e.g. inverting the inducing point’s covariance matrix) do not depend on the number of processes. This makes the ETGP particularly suited for multi-class problems with a very large number of classes, which are the problems studied in this work. ETGP exploits the recently proposed Transformed Gaussian Process (TGP), a stochastic process specified by transforming a Gaussian Process using an invertible transformation. However, unlike TGP, ETGP is constructed by transforming a single sample from a GP using $C$ invertible transformations. We derive an efficient sparse variational inference algorithm for the proposed model and demonstrate its utility in 5 classification tasks which include low/medium/large datasets and a different number of classes, ranging from just a few to hundreds. Our results show that ETGP, in general, outperforms state-of-the-art methods for multi-class classification based on GPs, and has a lower computational cost (around one order of magnitude smaller).
Computational Asymmetries in Robust Classification
Authors: Marro, Samuele and Lombardi, Michele
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In the context of adversarial robustness, we make three strongly related contributions. First, we prove that while attacking ReLU classifiers is $\mathitNP$-hard, ensuring their robustness at training time is $Σ^2_P$-hard (even on a single example). This asymmetry provides a rationale for the fact that robust classifications approaches are frequently fooled in the literature. Second, we show that inference-time robustness certificates are not affected by this asymmetry, by introducing a proof-of-concept approach named Counter-Attack (CA). Indeed, CA displays a reversed asymmetry: running the defense is $\mathitNP$-hard, while attacking it is $Σ_2^P$-hard. Finally, motivated by our previous result, we argue that adversarial attacks can be used in the context of robustness certification, and provide an empirical evaluation of their effectiveness. As a byproduct of this process, we also release UG100, a benchmark dataset for adversarial attacks.
Neural Network Approximations of PDEs Beyond Linearity: A Representational Perspective
Authors: Marwah, Tanya and Lipton, Zachary Chase and Lu, Jianfeng and Risteski, Andrej
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: A burgeoning line of research has developed deep neural networks capable of approximating the solutions to high dimensional PDEs, opening related lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most theoretical analyses thus far have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as <em>nonlinear elliptic variational PDEs</em>, whose solutions minimize an <em>Euler-Lagrange</em> energy functional $\mathcalE(u) = ınt_Ømega L(x, u(x), ∇ u(x)) - f(x) u(x)dx$. We show that if composing a function with Barron norm $b$ with partial derivatives of $L$ produces a function of Barron norm at most $B_L b^p$, the solution to the PDE can be $ε$-approximated in the $L^2$ sense by a function with Barron norm $Ołeft(łeft(dB_Li̊ght)^\max\p łog(1/ ε), p^łog(1/ε)\\g̊ht)$. By a classical result due to Barron (1993), this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating $p, ε, B_L$ as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.
Generative Pretraining for Black-Box Optimization
Authors: Mashkaria, Satvik Mehul and Krishnamoorthy, Siddarth and Grover, Aditya
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Many problems in science and engineering involve optimizing an expensive black-box function over a high-dimensional space. In the offline model-based optimization (MBO) setting, we assume access to a fixed, offline dataset for pretraining and a small budget for online function evaluations. Prior approaches seek to utilize the offline data to approximate the function or its inverse but are not sufficiently accurate far from the data distribution. We propose BONET, a generative framework for pretraining a novel model-based optimizer using offline datasets. In BONET, we train an autoregressive model on fixed-length trajectories derived from an offline dataset. We design a sampling strategy to synthesize trajectories from offline data using a simple heuristic of rolling out monotonic transitions from low-fidelity to high-fidelity samples. Empirically, we instantiate BONET using a causally masked Transformer (Radford et al., 2019) and evaluate it on Design-Bench (Trabucco et al., 2022), where we rank the best on average, outperforming state-of-the-art baselines.
Improved Policy Evaluation for Randomized Trials of Algorithmic Resource Allocation
Authors: Mate, Aditya and Wilder, Bryan and Taneja, Aparna and Tambe, Milind
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider the task of evaluating policies of algorithmic resource allocation through randomized controlled trials (RCTs). Such policies are tasked with optimizing the utilization of limited intervention resources, with the goal of maximizing the benefits derived. Evaluation of such allocation policies through RCTs proves difficult, notwithstanding the scale of the trial, because the individuals’ outcomes are inextricably interlinked through resource constraints controlling the policy decisions. Our key contribution is to present a new estimator leveraging our proposed novel concept, that involves retrospective reshuffling of participants across experimental arms at the end of an RCT. We identify conditions under which such reassignments are permissible and can be leveraged to construct counterfactual trials, whose outcomes can be accurately ascertained, for free. We prove theoretically that such an estimator is more accurate than common estimators based on sample means – we show that it returns an unbiased estimate and simultaneously reduces variance. We demonstrate the value of our approach through empirical experiments on synthetic, semisynthetic as well as real case study data and show improved estimation accuracy across the board.
Multi-Fidelity Covariance Estimation in the Log-Euclidean Geometry
Authors: Maurais, Aimee and Alsup, Terrence and Peherstorfer, Benjamin and Marzouk, Youssef
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.
Communication-Constrained Bandits under Additive Gaussian Noise
Authors: Mayekar, Prathamesh and Scarlett, Jonathan and Tan, Vincent Y. F.
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We study a distributed stochastic multi-armed bandit where a client supplies the learner with communication-constrained feedback based on the rewards for the corresponding arm pulls. In our setup, the client must encode the rewards such that the second moment of the encoded rewards is no more than $P$, and this encoded reward is further corrupted by additive Gaussian noise of variance $σ^2$; the learner only has access to this corrupted reward. For this setting, we derive an information-theoretic lower bound of $Ømegałeft(\sqrt\fracKT\mathttSNR ∧1 i̊ght)$ on the minimax regret of any scheme, where $\mathttSNRo̧loneqq \fracPσ^2$, and $K$ and $T$ are the number of arms and time horizon, respectively. Furthermore, we propose a multi-phase bandit algorithm, $\mathttUE\text-\mathttUCB\text++$, which matches this lower bound to a minor additive factor. $\mathttUE\text-\mathttUCB\text++$ performs uniform exploration in its initial phases and then utilizes the <em>upper confidence bound </em>(UCB) bandit algorithm in its final phase. An interesting feature of $\mathttUE\text-\mathttUCB\text++$ is that the coarser estimates of the mean rewards formed during a uniform exploration phase help to refine the encoding protocol in the next phase, leading to more accurate mean estimates of the rewards in the subsequent phase. This positive reinforcement cycle is critical to reducing the number of uniform exploration rounds and closely matching our lower bound.
Nonparametric Density Estimation under Distribution Drift
Authors: Mazzetto, Alessio and Upfal, Eli
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We study nonparametric density estimation in non-stationary drift settings. Given a sequence of independent samples taken from a distribution that gradually changes in time, the goal is to compute the best estimate for the current distribution. We prove tight minimax risk bounds for both discrete and continuous smooth densities, where the minimum is over all possible estimates and the maximum is over all possible distributions that satisfy the drift constraints. Our technique handles a broad class of drift models and generalizes previous results on agnostic learning under drift.