mtybilly/Instruct2DS huggingface dataset:
Deep Generative Symbolic Regression with Monte-Carlo-Tree-Search
Authors: Kamienny, Pierre-Alexandre and Lample, Guillaume and Lamprier, Sylvain and Virgolin, Marco
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) ones. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known SRBench benchmark.
One-vs-the-Rest Loss to Focus on Important Samples in Adversarial Training
Authors: Kanai, Sekitoshi and Yamaguchi, Shin'Ya and Yamada, Masanori and Takahashi, Hiroshi and Ohno, Kentaro and Ida, Yasutoshi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This paper proposes a new loss function for adversarial training. Since adversarial training has difficulties, e.g., necessity of high model capacity, focusing on important data points by weighting cross-entropy loss has attracted much attention. However, they are vulnerable to sophisticated attacks, e.g., Auto-Attack. This paper experimentally reveals that the cause of their vulnerability is their small margins between logits for the true label and the other labels. Since neural networks classify the data points based on the logits, logit margins should be large enough to avoid flipping the largest logit by the attacks. Importance-aware methods do not increase logit margins of important samples but decrease those of less-important samples compared with cross-entropy loss. To increase logit margins of important samples, we propose switching one-vs-the-rest loss (SOVR), which switches from cross-entropy to one-vs-the-rest loss for important samples that have small logit margins. We prove that one-vs-the-rest loss increases logit margins two times larger than the weighted cross-entropy loss for a simple problem. We experimentally confirm that SOVR increases logit margins of important samples unlike existing methods and achieves better robustness against Auto-Attack than importance-aware methods.
Large Language Models Struggle to Learn Long-Tail Knowledge
Authors: Kandpal, Nikhil and Deng, Haikang and Roberts, Adam and Wallace, Eric and Raffel, Colin
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The Internet contains a wealth of knowledge—from the birthdays of historical figures to tutorials on how to code—all of which may be learned by language models. However, while certain pieces of information are ubiquitous on the web, others appear extremely rarely. In this paper, we study the relationship between the knowledge memorized by large language models and the information in pre-training datasets scraped from the web. In particular, we show that a language model’s ability to answer a fact-based question relates to how many documents associated with that question were seen during pre-training. We identify these relevant documents by entity linking pre-training datasets and counting documents that contain the same entities as a given question-answer pair. Our results demonstrate strong correlational and causal relationships between accuracy and relevant document count for numerous question answering datasets (e.g., TriviaQA), pre-training corpora (e.g., ROOTS), and model sizes (e.g., 176B parameters). Moreover, while larger models are better at learning long-tail knowledge, we estimate that today’s models must be scaled by many orders of magnitude to reach competitive QA performance on questions with little support in the pre-training data. Finally, we show that retrieval-augmentation can reduce the dependence on relevant pre-training information, presenting a promising approach for capturing the long-tail.
Git-Theta: A Git Extension for Collaborative Development of Machine Learning Models
Authors: Kandpal, Nikhil and Lester, Brian and Muqeeth, Mohammed and Mascarenhas, Anisha and Evans, Monty and Baskaran, Vishal and Huang, Tenghao and Liu, Haokun and Raffel, Colin
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Currently, most machine learning models are trained by centralized teams and are rarely updated. In contrast, open-source software development involves the iterative development of a shared artifact through distributed collaboration using a version control system. In the interest of enabling collaborative and continual improvement of machine learning models (Raffel, 2023), we introduce Git-Theta, a version control system for machine learning models. Git-Theta is an extension to Git, the most widely used version control software, that allows fine-grained tracking of changes to model parameters alongside code and other artifacts. Unlike existing version control systems that treat a model checkpoint as a blob of data, Git-Theta leverages the structure of checkpoints to support communication-efficient updates, automatic model merges, and meaningful reporting about the difference between two versions of a model. In addition, Git-Theta includes a plug-in system that enables users to easily add support for new functionality. In this paper, we introduce Git-Theta’s design and features and include an example use-case of Git-Theta where a pre-trained model is continually adapted and modified. We publicly release Git-Theta in hopes of kickstarting a new era of collaborative model development. https://github.com/r-three/git-theta/
A Deep Conjugate Direction Method for Iteratively Solving Linear Systems
Authors: Kaneda, Ayano and Akar, Osman and Chen, Jingyu and Kala, Victoria Alicia Trevino and Hyde, David and Teran, Joseph
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search direction at each iteration. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We demonstrate the efficacy of our approach on spatially discretized Poisson equations, which arise in computational fluid dynamics applications, with millions of degrees of freedom. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.
Leveraging Proxy of Training Data for Test-Time Adaptation
Authors: Kang, Juwon and Kim, Nayeong and Kwon, Donghyeon and Ok, Jungseul and Kwak, Suha
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider test-time adaptation (TTA), the task of adapting a trained model to an arbitrary test domain using unlabeled input data on-the-fly during testing. A common practice of TTA is to disregard data used in training due to large memory demand and privacy leakage. However, the training data are the only source of supervision. This motivates us to investigate a proper way of using them while minimizing the side effects. To this end, we propose two lightweight yet informative proxies of the training data and a TTA method fully exploiting them. One of the proxies is composed of a small number of images synthesized (hence, less privacy-sensitive) by data condensation which minimizes their domain-specificity to capture a general underlying structure over a wide spectrum of domains. Then, in TTA, they are translated into labeled test data by stylizing them to match styles of unlabeled test samples. This enables virtually supervised test-time training. The other proxy is inter-class relations of training data, which are transferred to target model during TTA. On four public benchmarks, our method outperforms the state-of-the-art ones at remarkably less computation and memory.
Beyond Reward: Offline Preference-guided Policy Optimization
Authors: Kang, Yachen and Shi, Diyuan and Liu, Jinxin and He, Li and Wang, Donglin
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This study focuses on the topic of offline preference-based reinforcement learning (PbRL), a variant of conventional reinforcement learning that dispenses with the need for online interaction or specification of reward functions. Instead, the agent is provided with fixed offline trajectories and human preferences between pairs of trajectories to extract the dynamics and task information, respectively. Since the dynamics and task information are orthogonal, a naive approach would involve using preference-based reward learning followed by an off-the-shelf offline RL algorithm. However, this requires the separate learning of a scalar reward function, which is assumed to be an information bottleneck of the learning process. To address this issue, we propose the offline preference-guided policy optimization (OPPO) paradigm, which models offline trajectories and preferences in a one-step process, eliminating the need for separately learning a reward function. OPPO achieves this by introducing an offline hindsight information matching objective for optimizing a contextual policy and a preference modeling objective for finding the optimal context. OPPO further integrates a well-performing decision policy by optimizing the two objectives iteratively. Our empirical results demonstrate that OPPO effectively models offline preferences and outperforms prior competing baselines, including offline RL algorithms performed over either true or pseudo reward function specifications. Our code is available on the project website: https://sites.google.com/view/oppo-icml-2023.
Poisoning Generative Replay in Continual Learning to Promote Forgetting
Authors: Kang, Siteng and Shi, Zhan and Zhang, Xinhua
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Generative models have grown into the workhorse of many state-of-the-art machine learning methods. However, their vulnerability under poisoning attacks has been largely understudied. In this work, we investigate this issue in the context of continual learning, where generative replayers are utilized to tackle catastrophic forgetting. By developing a novel customization of dirty-label input-aware backdoors to the online setting, our attacker manages to stealthily promote forgetting while retaining high accuracy at the current task and sustaining strong defenders. Our approach taps into an intriguing property of generative models, namely that they cannot well capture input-dependent triggers. Experiments on four standard datasets corroborate the poisoner’s effectiveness.
Node Embedding from Neural Hamiltonian Orbits in Graph Neural Networks
Authors: Kang, Qiyu and Zhao, Kai and Song, Yang and Wang, Sijie and Tay, Wee Peng
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In the graph node embedding problem, embedding spaces can vary significantly for different data types, leading to the need for different GNN model types. In this paper, we model the embedding update of a node feature as a Hamiltonian orbit over time. Since the Hamiltonian orbits generalize the exponential maps, this approach allows us to learn the underlying manifold of the graph in training, in contrast to most of the existing literature that assumes a fixed graph embedding manifold with a closed exponential map solution. Our proposed node embedding strategy can automatically learn, without extensive tuning, the underlying geometry of any given graph dataset even if it has diverse geometries. We test Hamiltonian functions of different forms and verify the performance of our approach on two graph node embedding downstream tasks: node classification and link prediction. Numerical experiments demonstrate that our approach adapts better to different types of graph datasets than popular state-of-the-art graph node embedding GNNs. The code is available at https://github.com/zknus/Hamiltonian-GNN.
Understanding Gradient Regularization in Deep Learning: Efficient Finite-Difference Computation and Implicit Bias
Authors: Karakida, Ryo and Takase, Tomoumi and Hayase, Tomohiro and Osawa, Kazuki
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.
Langevin Thompson Sampling with Logarithmic Communication: Bandits and Reinforcement Learning
Authors: Karbasi, Amin and Kuang, Nikki Lijing and Ma, Yian and Mitra, Siddharth
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Thompson sampling (TS) is widely used in sequential decision making due to its ease of use and appealing empirical performance. However, many existing analytical and empirical results for TS rely on restrictive assumptions on reward distributions, such as belonging to conjugate families, which limits their applicability in realistic scenarios. Moreover, sequential decision making problems are often carried out in a batched manner, either due to the inherent nature of the problem or to serve the purpose of reducing communication and computation costs. In this work, we jointly study these problems in two popular settings, namely, stochastic multi-armed bandits (MABs) and infinite-horizon reinforcement learning (RL), where TS is used to learn the unknown reward distributions and transition dynamics, respectively. We propose batched <em>Langevin Thompson Sampling</em> algorithms that leverage MCMC methods to sample from approximate posteriors with only logarithmic communication costs in terms of batches. Our algorithms are computationally efficient and maintain the same order-optimal regret guarantees of $\mathcalO(łog T)$ for stochastic MABs, and $\mathcalO(\sqrtT)$ for RL. We complement our theoretical findings with experimental results.
On the Relationship Between Explanation and Prediction: A Causal View
Authors: Karimi, Amir-Hossein and Muandet, Krikamol and Kornblith, Simon and Schölkopf, Bernhard and Kim, Been
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Being able to provide explanations for a model’s decision has become a central requirement for the development, deployment, and adoption of machine learning models. However, we are yet to understand what explanation methods can and cannot do. How do upstream factors such as data, model prediction, hyperparameters, and random initialization influence downstream explanations? While previous work raised concerns that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we study the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors, i.e., on hyperparameters and inputs used to generate saliency-based Es or Ys. Our results suggest that the relationships between E and Y is far from ideal. In fact, the gap between ’ideal’ case only increase in higher-performing models — models that are likely to be deployed. Our work is a promising first step towards providing a quantitative measure of the relationship between E and Y, which could also inform the future development of methods for E with a quantitative metric.
Cocktail Party Attack: Breaking Aggregation-Based Privacy in Federated Learning Using Independent Component Analysis
Authors: Kariyappa, Sanjay and Guo, Chuan and Maeng, Kiwan and Xiong, Wenjie and Suh, G. Edward and Qureshi, Moinuddin K and Lee, Hsien-Hsin S.
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Federated learning (FL) aims to perform privacy-preserving machine learning on distributed data held by multiple data owners. To this end, FL requires the data owners to perform training locally and share the gradients or weight updates (instead of the private inputs) with the central server, which are then securely aggregated over multiple data owners. Although aggregation by itself does not offer provable privacy protection, prior work suggested that if the batch size is sufficiently large the aggregation may be secure enough. In this paper, we propose the Cocktail Party Attack (CPA) that, contrary to prior belief, is able to recover the private inputs from gradients/weight updates aggregated over as many as 1024 samples. CPA leverages the crucial insight that aggregate gradients from a fully connected (FC) layer is a linear combination of its inputs, which allows us to frame gradient inversion as a blind source separation (BSS) problem. We adapt independent component analysis (ICA)—a classic solution to the BSS problem—to recover private inputs for FC and convolutional networks, and show that CPA significantly outperforms prior gradient inversion attacks, scales to ImageNet-sized inputs, and works on large batch sizes of up to 1024.
General Sequential Episodic Memory Model
Authors: Karuvally, Arjun and Sejnowski, Terrence and Siegelmann, Hava T
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The state-of-the-art memory model is the General Associative Memory Model, a generalization of the classical Hopfield network. Like its ancestor, the general associative memory has a well-defined state-dependant energy surface, and its memories correlate with its fixed points. This is unlike human memories, which are commonly sequential rather than separated fixed points. In this paper, we introduce a class of General Sequential Episodic Memory Models (GSEMM) that, in the adiabatic limit, exhibit a dynamic energy surface, leading to a series of meta-stable states capable of encoding memory sequences. A multiple-timescale architecture enables the dynamic nature of the energy surface with newly introduced asymmetric synapses and signal propagation delays. We demonstrate its dense capacity under polynomial activation functions. GSEMM combines separate memories, short and long sequential episodic memories, under a unified theoretical framework, demonstrating how energy-based memory modeling can provide richer, human-like episodes.
Regression with Sensor Data Containing Incomplete Observations
Authors: Katsuki, Takayuki and Osogami, Takayuki
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.
Data Representations’ Study of Latent Image Manifolds
Authors: Kaufman, Ilya and Azencot, Omri
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Deep neural networks have been demonstrated to achieve phenomenal success in many domains, and yet their inner mechanisms are not well understood. In this paper, we investigate the curvature of image manifolds, i.e., the manifold deviation from being flat in its principal directions. We find that state-of-the-art trained convolutional neural networks for image classification have a characteristic curvature profile along layers: an initial steep increase, followed by a long phase of a plateau, and followed by another increase. In contrast, this behavior does not appear in untrained networks in which the curvature flattens. We also show that the curvature gap between the last two layers has a strong correlation with the generalization capability of the network. Moreover, we find that the intrinsic dimension of latent codes is not necessarily indicative of curvature. Finally, we observe that common regularization methods such as mixup yield flatter representations when compared to other methods. Our experiments show consistent results over a variety of deep learning architectures and multiple data sets.
Multi-Modal Classifiers for Open-Vocabulary Object Detection
Authors: Kaul, Prannay and Xie, Weidi and Zisserman, Andrew
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The goal of this paper is open-vocabulary object detection (OVOD) — building a model that can detect objects beyond the set of categories seen at training, thus enabling the user to specify categories of interest at inference without the need for model retraining. We adopt a standard two- stage object detector architecture, and explore three ways for specifying novel categories: via language descriptions, via image exemplars, or via a combination of the two. We make three contributions: first, we prompt a large language model (LLM) to generate informative language descriptions for object classes, and construct powerful text-based classifiers; second, we employ a visual aggregator on image exemplars that can ingest any number of images as input, forming vision-based classifiers; and third, we provide a simple method to fuse information from language descriptions and image exemplars, yield- ing a multi-modal classifier. When evaluating on the challenging LVIS open-vocabulary bench- mark we demonstrate that: (i) our text-based classifiers outperform all previous OVOD works; (ii) our vision-based classifiers perform as well as text-based classifiers in prior work; (iii) using multi-modal classifiers perform better than either modality alone; and finally, (iv) our text-based and multi-modal classifiers yield better performance than a fully-supervised detector.
Learning Mixtures of Markov Chains and MDPs
Authors: Kausik, Chinmaya and Tan, Kevin and Tewari, Ambuj
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We present an algorithm for learning mixtures of Markov chains and Markov decision processes (MDPs) from short unlabeled trajectories. Specifically, our method handles mixtures of Markov chains with optional control input by going through a multi-step process, involving (1) a subspace estimation step, (2) spectral clustering of trajectories using "pairwise distance estimators," along with refinement using the EM algorithm, (3) a model estimation step, and (4) a classification step for predicting labels of new trajectories. We provide end-to-end performance guarantees, where we only explicitly require the length of trajectories to be linear in the number of states and the number of trajectories to be linear in a mixing time parameter. Experimental results support these guarantees, where we attain 96.6% average accuracy on a mixture of two MDPs in gridworld, outperforming the EM algorithm with random initialization (73.2% average accuracy). We also significantly outperform the EM algorithm on real data from the LastFM song dataset.
Curious Replay for Model-based Adaptation
Authors: Kauvar, Isaac and Doyle, Chris and Zhou, Linqi and Haber, Nick
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Agents must be able to adapt quickly as an environment changes. We find that existing model-based reinforcement learning agents are unable to do this well, in part because of how they use past experiences to train their world model. Here, we present Curious Replay—a form of prioritized experience replay tailored to model-based agents through use of a curiosity-based priority signal. Agents using Curious Replay exhibit improved performance in an exploration paradigm inspired by animal behavior and on the Crafter benchmark. DreamerV3 with Curious Replay surpasses state-of-the-art performance on Crafter, achieving a mean score of 19.4 that substantially improves on the previous high score of 14.5 by DreamerV3 with uniform replay, while also maintaining similar performance on the Deepmind Control Suite. Code for Curious Replay is available at github.com/AutonomousAgentsLab/curiousreplay.
How Does Information Bottleneck Help Deep Learning?
Authors: Kawaguchi, Kenji and Deng, Zhun and Ji, Xu and Huang, Jiaoyang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Numerous deep learning algorithms have been inspired by and understood via the notion of information bottleneck, where unnecessary information is (often implicitly) minimized while task-relevant information is maximized. However, a rigorous argument for justifying why it is desirable to control information bottlenecks has been elusive. In this paper, we provide the first rigorous learning theory for justifying the benefit of information bottleneck in deep learning by mathematically relating information bottleneck to generalization errors. Our theory proves that controlling information bottleneck is one way to control generalization errors in deep learning, although it is not the only or necessary way. We investigate the merit of our new mathematical findings with experiments across a range of architectures and learning settings. In many cases, generalization errors are shown to correlate with the degree of information bottleneck: i.e., the amount of the unnecessary information at hidden layers. This paper provides a theoretical foundation for current and future methods through the lens of information bottleneck. Our new generalization bounds scale with the degree of information bottleneck, unlike the previous bounds that scale with the number of parameters, VC dimension, Rademacher complexity, stability or robustness. Our code is publicly available at: https://github.com/xu-ji/information-bottleneck
Instrumental Variable Estimation of Average Partial Causal Effects
Authors: Kawakami, Yuta and Kuroki, Manabu and Tian, Jin
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Instrumental variable (IV) analysis is a powerful tool widely used to elucidate causal relationships. We study the problem of estimating the average partial causal effect (APCE) of a continuous treatment in an IV setting. Specifically, we develop new methods for estimating APCE based on a recent identification condition via an integral equation. We develop two families of methods, nonparametric and parametric - the former uses the Picard iteration to solve the integral equation; the latter parameterizes APCE using a linear basis function model. We analyze the statistical and computational properties of the proposed methods and illustrate them on synthetic and real data.
The Test of Tests: A Framework for Differentially Private Hypothesis Testing
Authors: Kazan, Zeki and Shi, Kaiyan and Groce, Adam and Bray, Andrew P
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We present a generic framework for creating differentially private versions of any hypothesis test in a black-box way. We analyze the resulting tests analytically and experimentally. Most crucially, we show good practical performance for small data sets, showing that at ε = 1 we only need 5-6 times as much data as in the fully public setting. We compare our work to the one existing framework of this type, as well as to several individually-designed private hypothesis tests. Our framework is higher power than other generic solutions and at least competitive with (and often better than) individually-designed tests.
Exact Inference in High-order Structured Prediction
Authors: Ke, Chuyang and Honorio, Jean
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In this paper, we study the problem of inference in high-order structured prediction tasks. In the context of Markov random fields, the goal of a high-order inference task is to maximize a score function on the space of labels, and the score function can be decomposed into sum of unary and high-order potentials. We apply a generative model approach to study the problem of high-order inference, and provide a two-stage convex optimization algorithm for exact label recovery. We also provide a new class of hypergraph structural properties related to hyperedge expansion that drives the success in general high-order inference problems. Finally, we connect the performance of our algorithm and the hyperedge expansion property using a novel hypergraph Cheeger-type inequality.
Neural Wave Machines: Learning Spatiotemporally Structured Representations with Locally Coupled Oscillatory Recurrent Neural Networks
Authors: Keller, T. Anderson and Welling, Max
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Traveling waves have been measured at a diversity of regions and scales in the brain, however a consensus as to their computational purpose has yet to be reached. An intriguing hypothesis is that traveling waves serve to structure neural representations both in space and time, thereby acting as an inductive bias towards natural data. In this work, we investigate this hypothesis by introducing the Neural Wave Machine (NWM) – a locally coupled oscillatory recurrent neural network capable of exhibiting traveling waves in its hidden state. After training on simple dynamic sequences, we show that this model indeed learns static spatial structure such as topographic organization, and further uses complex spatiotemporal structure such as traveling waves to encode observed transformations. To measure the computational implications of this structure, we use a suite of sequence classification and physical dynamics modeling tasks to show that the NWM is both more parameter efficient, and is able to forecast future trajectories of simple physical dynamical systems more accurately than existing state of the art counterparts.
Homomorphism AutoEncoder -- Learning Group Structured Representations from Observed Transitions
Authors: Keurti, Hamza and Pan, Hsiao-Ru and Besserve, Michel and Grewe, Benjamin F and Schölkopf, Bernhard
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: How can agents learn internal models that veridically represent interactions with the real world is a largely open question. As machine learning is moving towards representations containing not just observational but also interventional knowledge, we study this problem using tools from representation learning and group theory. We propose methods enabling an agent acting upon the world to learn internal representations of sensory information that are consistent with actions that modify it. We use an autoencoder equipped with a group representation acting on its latent space, trained using an equivariance-derived loss in order to enforce a suitable homomorphism property on the group representation. In contrast to existing work, our approach does not require prior knowledge of the group and does not restrict the set of actions the agent can perform. We motivate our method theoretically, and show empirically that it can learn a group representation of the actions, thereby capturing the structure of the set of transformations applied to the environment. We further show that this allows agents to predict the effect of sequences of future actions with improved accuracy.
Rethinking Backdoor Attacks
Authors: Khaddaj, Alaa and Leclerc, Guillaume and Makelov, Aleksandar and Georgiev, Kristian and Salman, Hadi and Ilyas, Andrew and Madry, Aleksander
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In a <em>backdoor attack</em>, an adversary inserts maliciously constructed backdoor examples into a training set to make the resulting model vulnerable to manipulation. Defending against such attacks involves viewing inserted examples as outliers in the training set and using techniques from robust statistics to detect and remove them. In this work, we present a different approach to the backdoor attack problem. Specifically, we show that without structural information about the training data distribution, backdoor attacks are <em>indistinguishable</em> from naturally-occuring features in the data—and thus impossible to "detect" in a general sense. Then, guided by this observation, we revisit existing defenses against backdoor attacks and characterize the (often latent) assumptions they make, and on which they depend. Finally, we explore an alternative perspective on backdoor attacks: one that assumes these attacks correspond to the <em>strongest</em> feature in the training data. Under this assumption (which we make formal) we develop a new primitive for detecting backdoor attacks. Our primitive naturally gives rise to a detection algorithm that comes with theoretical guarantees, and is effective in practice.
PAC Prediction Sets for Large Language Models of Code
Authors: Khakhar, Adam and Mell, Stephen and Bastani, Osbert
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Prediction sets have recently been shown to be a promising strategy for quantifying the uncertainty of deep neural networks in a way that provides theoretical guarantees. However, existing techniques have largely targeted settings where the space of labels is simple, so prediction sets can be arbitrary subsets of labels. For structured prediction problems where the space of labels is exponential in size, even prediction sets containing a small fraction of all labels can be exponentially large. In the context of code generation, we propose a solution that considers a restricted set of prediction sets that can compactly be represented as partial programs, which are programs with portions replaced with holes. Given a trained code generation model, our algorithm leverages a programming language’s abstract syntax tree to generate a set of programs such that the correct program is in the set with high-confidence. Valuable applications of our algorithm include a Codex-style code generator with holes in uncertain parts of the generated code, which provides a partial program with theoretical guarantees. We evaluate our approach on PICARD (a T5 model for SQL semantic parsing) and Codex (a GPT model for over a dozen programming languages, including Python), demonstrating that our approach generates compact PAC prediction sets. This is the first research contribution that generates PAC prediction sets for generative code models.
Accelerated Primal-Dual Methods for Convex-Strongly-Concave Saddle Point Problems
Authors: Khalafi, Mohammad and Boob, Digvijay
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We investigate a primal-dual (PD) method for the saddle point problem (SPP) that uses a linear approximation of the primal function instead of the standard proximal step, resulting in a linearized PD (LPD) method. For convex-strongly concave SPP, we observe that the LPD method has a suboptimal dependence on the Lipschitz constant of the primal function. To fix this issue, we combine features of Accelerated Gradient Descent with the LPD method resulting in a single-loop Accelerated Linearized Primal-Dual (ALPD) method. ALPD method achieves the optimal gradient complexity when the SPP has a semi-linear coupling function. We also present an inexact ALPD method for SPPs with a general nonlinear coupling function that maintains the optimal gradient evaluations of the primal parts and significantly improves the gradient evaluations of the coupling term compared to the ALPD method. We verify our findings with numerical experiments.
Loss Balancing for Fair Supervised Learning
Authors: Khalili, Mohammad Mahdi and Zhang, Xueru and Abroshan, Mahed
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Supervised learning models have been used in various domains such as lending, college admission, face recognition, natural language processing, etc. However, they may inherit pre-existing biases from training data and exhibit discrimination against protected social groups. Various fairness notions have been proposed to address unfairness issues. In this work, we focus on Equalized Loss (EL), a fairness notion that requires the expected loss to be (approximately) equalized across different groups. Imposing EL on the learning process leads to a non-convex optimization problem even if the loss function is convex, and the existing fair learning algorithms cannot properly be adopted to find the fair predictor under the EL constraint. This paper introduces an algorithm that can leverage off-the-shelf convex programming tools (e.g., CVXPY (Diamond and Boyd, 2016; Agrawal et al., 2018)) to efficiently find the global optimum of this non-convex optimization. In particular, we propose the ELminimizer algorithm, which finds the optimal fair predictor under EL by reducing the non-convex optimization to a sequence of convex optimization problems. We theoretically prove that our algorithm finds the global optimal solution under certain conditions. Then, we support our theoretical results through several empirical studies
Linearly Constrained Bilevel Optimization: A Smoothed Implicit Gradient Approach
Authors: Khanduri, Prashant and Tsaknakis, Ioannis and Zhang, Yihua and Liu, Jia and Liu, Sijia and Zhang, Jiawei and Hong, Mingyi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This work develops analysis and algorithms for solving a class of bilevel optimization problems where the lower-level (LL) problems have linear constraints. Most of the existing approaches for constrained bilevel problems rely on value function-based approximate reformulations, which suffer from issues such as non-convex and non-differentiable constraints. In contrast, in this work, we develop an implicit gradient-based approach, which is easy to implement, and is suitable for machine learning applications. We first provide an in-depth understanding of the problem, by showing that the implicit objective for such problems is in general non-differentiable. However, if we add some small (linear) perturbation to the LL objective, the resulting implicit objective becomes differentiable almost surely. This key observation opens the door for developing (deterministic and stochastic) gradient-based algorithms similar to the state-of-the-art ones for unconstrained bi-level problems. We show that when the implicit function is assumed to be strongly-convex, convex, and weakly-convex, the resulting algorithms converge with guaranteed rate. Finally, we experimentally corroborate the theoretical findings and evaluate the performance of the proposed framework on numerical and adversarial learning problems.
Emergent Asymmetry of Precision and Recall for Measuring Fidelity and Diversity of Generative Models in High Dimensions
Authors: Khayatkhoei, Mahyar and Abdalmageed, Wael
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Precision and Recall are two prominent metrics of generative performance, which were proposed to separately measure the fidelity and diversity of generative models. Given their central role in comparing and improving generative models, understanding their limitations are crucially important. To that end, in this work, we identify a critical flaw in the common approximation of these metrics using k-nearest-neighbors, namely, that the very interpretations of fidelity and diversity that are assigned to Precision and Recall can fail in high dimensions, resulting in very misleading conclusions. Specifically, we empirically and theoretically show that as the number of dimensions grows, two model distributions with supports at equal point-wise distance from the support of the real distribution, can have vastly different Precision and Recall regardless of their respective distributions, hence an emergent asymmetry in high dimensions. Based on our theoretical insights, we then provide simple yet effective modifications to these metrics to construct symmetric metrics regardless of the number of dimensions. Finally, we provide experiments on real-world datasets to illustrate that the identified flaw is not merely a pathological case, and that our proposed metrics are effective in alleviating its impact.
Learning-augmented private algorithms for multiple quantile release
Authors: Khodak, Mikhail and Amin, Kareem and Dick, Travis and Vassilvitskii, Sergei
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: When applying differential privacy to sensitive data, we can often improve performance using external information such as other sensitive data, public data, or human priors. We propose to use the learning-augmented algorithms (or algorithms with predictions) framework—previously applied largely to improve time complexity or competitive ratios—as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. This idea is instantiated on the important task of multiple quantile release, for which we derive error guarantees that scale with a natural measure of prediction quality while (almost) recovering state-of-the-art prediction-independent guarantees. Our analysis enjoys several advantages, including minimal assumptions about the data, a natural way of adding robustness, and the provision of useful surrogate losses for two novel ”meta” algorithms that learn predictions from other (potentially sensitive) data. We conclude with experiments on challenging tasks demonstrating that learning predictions across one or more instances can lead to large error reductions while preserving privacy.
CrossSplit: Mitigating Label Noise Memorization through Data Splitting
Authors: Kim, Jihye and Baratin, Aristide and Zhang, Yan and Lacoste-Julien, Simon
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We approach the problem of improving robustness of deep learning algorithms in the presence of label noise. Building upon existing label correction and co-teaching methods, we propose a novel training procedure to mitigate the memorization of noisy labels, called CrossSplit, which uses a pair of neural networks trained on two disjoint parts of the labeled dataset. CrossSplit combines two main ingredients: (i) Cross-split label correction. The idea is that, since the model trained on one part of the data cannot memorize example-label pairs from the other part, the training labels presented to each network can be smoothly adjusted by using the predictions of its peer network; (ii) Cross-split semi-supervised training. A network trained on one part of the data also uses the unlabeled inputs of the other part. Extensive experiments on CIFAR-10, CIFAR-100, Tiny-ImageNet and mini-WebVision datasets demonstrate that our method can outperform the current state-of-the-art in a wide range of noise ratios. The project page is at https://rlawlgul.github.io/.
Trainability, Expressivity and Interpretability in Gated Neural ODEs
Authors: Kim, Timothy Doyeon and Can, Tankut and Krishnamurthy, Kamesh
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Understanding how the dynamics in biological and artificial neural networks implement the computations required for a task is a salient open question in machine learning and neuroscience. In particular, computations requiring complex memory storage and retrieval pose a significant challenge for these networks to implement or learn. Recently, a family of models described by neural ordinary differential equations (nODEs) has emerged as powerful dynamical neural network models capable of capturing complex dynamics. Here, we extend nODEs by endowing them with adaptive timescales using gating interactions. We refer to these as gated neural ODEs (gnODEs). Using a task that requires memory of continuous quantities, we demonstrate the inductive bias of the gnODEs to learn (approximate) continuous attractors. We further show how reduced-dimensional gnODEs retain their modeling power while greatly improving interpretability, even allowing explicit visualization of the structure of learned attractors. We introduce a novel measure of expressivity which probes the capacity of a neural network to generate complex trajectories. Using this measure, we explore how the phase-space dimension of the nODEs and the complexity of the function modeling the flow field contribute to expressivity. We see that a more complex function for modeling the flow field allows a lower-dimensional nODE to capture a given target dynamics. Finally, we demonstrate the benefit of gating in nODEs on several real-world tasks.