mtybilly/Instruct2DS huggingface dataset:
Automatic Intrinsic Reward Shaping for Exploration in Deep Reinforcement Learning
Authors: Mingqi Yuan, Bo Li, Xin Jin, Wenjun Zeng
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We present AIRS: <b>A</b>utomatic <b>I</b>ntrinsic <b>R</b>eward <b>S</b>haping that intelligently and adaptively provides high-quality intrinsic rewards to enhance exploration in reinforcement learning (RL). More specifically, AIRS selects shaping function from a predefined set based on the estimated task return in real-time, providing reliable exploration incentives and alleviating the biased objective problem. Moreover, we develop an intrinsic reward toolkit to provide efficient and reliable implementations of diverse intrinsic reward approaches. We test AIRS on various tasks of MiniGrid, Procgen, and DeepMind Control Suite. Extensive simulation demonstrates that AIRS can outperform the benchmarking schemes and achieve superior performance with simple architecture.
Traversing Between Modes in Function Space for Fast Ensembling
Authors: Eunggu Yun, Hyungi Lee, Giung Nam, Juho Lee
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Deep ensemble is a simple yet powerful way to improve the performance of deep neural networks. Under this motivation, recent works on mode connectivity have shown that parameters of ensembles are connected by low-loss subspaces, and one can efficiently collect ensemble parameters in those subspaces. While this provides a way to efficiently train ensembles, for inference, multiple forward passes should still be executed using all the ensemble parameters, which often becomes a serious bottleneck for real-world deployment. In this work, we propose a novel framework to reduce such costs. Given a low-loss subspace connecting two modes of a neural network, we build an additional neural network that predicts the output of the original neural network evaluated at a certain point in the low-loss subspace. The additional neural network, which we call a “bridge”, is a lightweight network that takes minimal features from the original network and predicts outputs for the low-loss subspace without forward passes through the original network. We empirically demonstrate that we can indeed train such bridge networks and significantly reduce inference costs with the help of bridge networks.
Conformal Prediction with Missing Values
Authors: Margaux Zaffran, Aymeric Dieuleveut, Julie Josse, Yaniv Romano
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Conformal prediction is a theoretically grounded framework for constructing predictive intervals. We study conformal prediction with missing values in the covariates – a setting that brings new challenges to uncertainty quantification. We first show that the marginal coverage guarantee of conformal prediction holds on imputed data for any missingness distribution and almost all imputation functions. However, we emphasize that the average coverage varies depending on the pattern of missing values: conformal methods tend to construct prediction intervals that under-cover the response conditionally to some missing patterns. This motivates our novel generalized conformalized quantile regression framework, missing data augmentation, which yields prediction intervals that are valid conditionally to the patterns of missing values, despite their exponential number. We then show that a universally consistent quantile regression algorithm trained on the imputed data is Bayes optimal for the pinball risk, thus achieving valid coverage conditionally to any given data point. Moreover, we examine the case of a linear model, which demonstrates the importance of our proposal in overcoming the heteroskedasticity induced by missing values. Using synthetic and data from critical care, we corroborate our theory and report improved performance of our methods.
KDEformer: Accelerating Transformers via Kernel Density Estimation
Authors: Amir Zandieh, Insu Han, Majid Daliri, Amin Karbasi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Dot-product attention mechanism plays a crucial role in modern deep architectures (e.g., Transformer) for sequence modeling, however, naïve exact computation of this model incurs quadratic time and memory complexities in sequence length, hindering the training of long-sequence models. Critical bottlenecks are due to the computation of partition functions in the denominator of softmax function as well as the multiplication of the softmax matrix with the matrix of values. Our key observation is that the former can be reduced to a variant of the kernel density estimation (KDE) problem, and an efficient KDE solver can be further utilized to accelerate the latter via subsampling-based fast matrix products. Our proposed KDEformer can approximate the attention in sub-quadratic time with provable spectral norm bounds, while all prior results merely provide entry-wise error bounds. Empirically, we verify that KDEformer outperforms other attention approximations in terms of accuracy, memory, and arithmetic operations on various pre-trained models. For instance, on BigGAN image generation we achieve better generative scores than the exact computation with over 4× speedup. For ImageNet classification with T2T-ViT, KDEformer shows over 18× speedup while the accuracy drop is less than 0.5%.
Bayesian Estimation of Differential Privacy
Authors: Santiago Zanella-Beguelin, Lukas Wutschitz, Shruti Tople, Ahmed Salem, Victor Rühle, Andrew Paverd, Mohammad Naseri, Boris Köpf, Daniel Jones
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Algorithms such as Differentially Private SGD enable training machine learning models with formal privacy guarantees. However, because these guarantees hold with respect to unrealistic adversaries, the protection afforded against practical attacks is typically much better. An emerging strand of work empirically estimates the protection afforded by differentially private training as a confidence interval for the privacy budget $\hatɛ$ spent with respect to specific threat models. Existing approaches derive confidence intervals for $\hatɛ$ from confidence intervals for false positive and false negative rates of membership inference attacks, which requires training an impractically large number of models to get intervals that can be acted upon. We propose a novel, more efficient Bayesian approach that brings privacy estimates within the reach of practitioners. Our approach reduces sample size by computing a posterior for $\hatɛ$ (not just a confidence interval) from the joint posterior of the false positive and false negative rates of membership inference attacks. We implement an end-to-end system for privacy estimation that integrates our approach and state-of-the-art membership inference attacks, and evaluate it on text and vision classification tasks. For the same number of samples, we see a reduction in interval width of up to 40% compared to prior work.
When is Realizability Sufficient for Off-Policy Reinforcement Learning?
Authors: Andrea Zanette
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Understanding when reinforcement learning algorithms can make successful off-policy predictions—and when the may fail to do so–remains an open problem. Typically, model-free algorithms for reinforcement learning are analyzed under a condition called Bellman completeness when they operate off-policy with function approximation, unless additional conditions are met. However, Bellman completeness is a requirement that is much stronger than realizability and that is deemed to be too strong to hold in practice. In this work, we relax this structural assumption and analyze the statistical complexity of off-policy reinforcement learning when only realizability holds for the prescribed function class. We establish finite-sample guarantees for off-policy reinforcement learning that are free of the approximation error term known as inherent Bellman error, and that depend on the interplay of three factors. The first two are well known: they are the metric entropy of the function class and the concentrability coefficient that represents the cost of learning off-policy. The third factor is new, and it measures the violation of Bellman completeness, namely the mis-alignment between the chosen function class and its image through the Bellman operator. Our analysis directly applies to the solution found by temporal difference algorithms when they converge.
On Distribution Dependent Sub-Logarithmic Query Time of Learned Indexing
Authors: Sepanta Zeighami, Cyrus Shahabi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: A fundamental problem in data management is to find the elements in an array that match a query. Recently, learned indexes are being extensively used to solve this problem, where they learn a model to predict the location of the items in the array. They are empirically shown to outperform non-learned methods (e.g., B-trees or binary search that answer queries in $O(łog n)$ time) by orders of magnitude. However, success of learned indexes has not been theoretically justified. Only existing attempt shows the same query time of $O(łog n)$, but with a constant factor improvement in space complexity over non-learned methods, under some assumptions on data distribution. In this paper, we significantly strengthen this result, showing that under mild assumptions on data distribution, and the same space complexity as non-learned methods, learned indexes can answer queries in $O(łogłog n)$ expected query time. We also show that allowing for slightly larger but still near-linear space overhead, a learned index can achieve $O(1)$ expected query time. Our results theoretically prove learned indexes are orders of magnitude faster than non-learned methods, theoretically grounding their empirical success.
Sequential Counterfactual Risk Minimization
Authors: Houssam Zenati, Eustache Diemert, Matthieu Martin, Julien Mairal, Pierre Gaillard
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Counterfactual Risk Minimization (CRM) is a framework for dealing with the logged bandit feedback problem, where the goal is to improve a logging policy using offline data. In this paper, we explore the case where it is possible to deploy learned policies multiple times and acquire new data. We extend the CRM principle and its theory to this scenario, which we call "Sequential Counterfactual Risk Minimization (SCRM)." We introduce a novel counterfactual estimator and identify conditions that can improve the performance of CRM in terms of excess risk and regret rates, by using an analysis similar to restart strategies in accelerated optimization methods. We also provide an empirical evaluation of our method in both discrete and continuous action settings, and demonstrate the benefits of multiple deployments of CRM.
LookupFFN: Making Transformers Compute-lite for CPU inference
Authors: Zhanpeng Zeng, Michael Davies, Pranav Pulijala, Karthikeyan Sankaralingam, Vikas Singh
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: While GPU clusters are the de facto choice for training large deep neural network (DNN) models today, several reasons including ease of workflow, security and cost have led to efforts investigating whether CPUs may be viable for inference in routine use in many sectors of the industry. But the imbalance between the compute capabilities of GPUs and CPUs is huge. Motivated by these considerations, we study a module which is a workhorse within modern DNN architectures, GEMM based Feed Forward Networks (FFNs), and assess the extent to which it can be made compute- (or FLOP-) lite. Specifically, we propose an alternative formulation (we call it LookupFFN) to GEMM based FFNs inspired by the recent studies of using Locality Sensitive Hashing (LSH) to approximate FFNs. Our formulation recasts most essential operations as a memory look-up, leveraging the trade-off between the two resources on any platform: compute and memory (since CPUs offer it in abundance). For RoBERTa language model pretraining, our formulation achieves similar performance compared to GEMM based FFNs, while dramatically reducing the required FLOP. Our development is complemented with a detailed hardware profiling of strategies that will maximize efficiency – not just on contemporary hardware but on products that will be offered in the near/medium term future. Code is avaiable at https://github.com/mlpen/LookupFFN.
Attribute-Efficient PAC Learning of Low-Degree Polynomial Threshold Functions with Nasty Noise
Authors: Shiwei Zeng, Jie Shen
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The concept class of low-degree polynomial threshold functions (PTFs) plays a fundamental role in machine learning. In this paper, we study PAC learning of $K$-sparse degree-$d$ PTFs on $ℝ^n$, where any such concept depends only on $K$ out of $n$ attributes of the input. Our main contribution is a new algorithm that runs in time $(nd/ε)^O(d)$ and under the Gaussian marginal distribution, PAC learns the class up to error rate $ε$ with $O(\fracK^4dε^2d · łog^5d n)$ samples even when an $η łeq O(ε^d)$ fraction of them are corrupted by the nasty noise of Bshouty et al. (2002), possibly the strongest corruption model. Prior to this work, attribute-efficient robust algorithms are established only for the special case of sparse homogeneous halfspaces. Our key ingredients are: 1) a structural result that translates the attribute sparsity to a sparsity pattern of the Chow vector under the basis of Hermite polynomials, and 2) a novel attribute-efficient robust Chow vector estimation algorithm which uses exclusively a restricted Frobenius norm to either certify a good approximation or to validate a sparsity-induced degree-$2d$ polynomial as a filter to detect corrupted samples.
Generative Graph Dictionary Learning
Authors: Zhichen Zeng, Ruike Zhu, Yinglong Xia, Hanqing Zeng, Hanghang Tong
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Dictionary learning, which approximates data samples by a set of shared atoms, is a fundamental task in representation learning. However, dictionary learning over graphs, namely graph dictionary learning (GDL), is much more challenging than vectorial data as graphs lie in disparate metric spaces. The sparse literature on GDL formulates the problem from the reconstructive view and often learns linear graph embeddings with a high computational cost. In this paper, we propose a Fused Gromov-Wasserstein (FGW) Mixture Model named FraMe to address the GDL problem from the generative view. Equipped with the graph generation function based on the radial basis function kernel and FGW distance, FraMe generates nonlinear embedding spaces, which, as we theoretically proved, provide a good approximation of the original graph spaces. A fast solution is further proposed on top of the expectation-maximization algorithm with guaranteed convergence. Extensive experiments demonstrate the effectiveness of the obtained node and graph embeddings, and our algorithm achieves significant improvements over the state-of-the-art methods.
Stabilizing Transformer Training by Preventing Attention Entropy Collapse
Authors: Shuangfei Zhai, Tatiana Likhomanenko, Etai Littwin, Dan Busbridge, Jason Ramapuram, Yizhe Zhang, Jiatao Gu, Joshua M. Susskind
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Training stability is of great importance to Transformers. In this work, we investigate the training dynamics of Transformers by examining the evolution of the attention layers. In particular, we track the attention entropy for each attention head during the course of training, which is a proxy for model sharpness. We identify a common pattern across different architectures and tasks, where low attention entropy is accompanied by high training instability, which can take the form of oscillating loss or divergence. We denote the pathologically low attention entropy, corresponding to highly concentrated attention scores, as $\textitentropy collapse$. As a remedy, we propose $σ$Reparam, a simple and efficient solution where we reparametrize all linear layers with spectral normalization and an additional learned scalar. We demonstrate that $σ$Reparam successfully prevents entropy collapse in the attention layers, promoting more stable training. Additionally, we prove a tight lower bound of the attention entropy, which decreases exponentially fast with the spectral norm of the attention logits, providing additional motivation for our approach. We conduct experiments with $σ$Reparam on image classification, image self-supervised learning, machine translation, speech recognition, and language modeling tasks. We show that $σ$Reparam provides stability and robustness with respect to the choice of hyperparameters, going so far as enabling training (a) a Vision Transformer to competitive performance without warmup, weight decay, layer normalization or adaptive optimizers; (b) deep architectures in machine translation and (c) speech recognition to competitive performance without warmup and adaptive optimizers. Code is available at https://github.com/apple/ml-sigma-reparam.
Offline Learning in Markov Games with General Function Approximation
Authors: Yuheng Zhang, Yu Bai, Nan Jiang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We study offline multi-agent reinforcement learning (RL) in Markov games, where the goal is to learn an approximate equilibrium—such as Nash equilibrium and (Coarse) Correlated Equilibrium—from an offline dataset pre-collected from the game. Existing works consider relatively restricted tabular or linear models and handle each equilibria separately. In this work, we provide the first framework for sample-efficient offline learning in Markov games under general function approximation, handling all 3 equilibria in a unified manner. By using Bellman-consistent pessimism, we obtain interval estimation for policies’ returns, and use both the upper and the lower bounds to obtain a relaxation on the gap of a candidate policy, which becomes our optimization objective. Our results generalize prior works and provide several additional insights. Importantly, we require a data coverage condition that improves over the recently proposed “unilateral concentrability”. Our condition allows selective coverage of deviation policies that optimally trade-off between their greediness (as approximate best responses) and coverage, and we show scenarios where this leads to significantly better guarantees. As a new connection, we also show how our algorithmic framework can subsume seemingly different solution concepts designed for the special case of two-player zero-sum games.
Learning useful representations for shifting tasks and distributions
Authors: Jianyu Zhang, Leon Bottou
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions? Our thesis is that <em>such scenarios are better served by representations that are richer than those obtained with a single optimization episode.</em> We support this thesis with simple theoretical arguments and with experiments utilizing an apparently näive ensembling technique: concatenating the representations obtained from multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained with a single training run. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.
Nonparametric Iterative Machine Teaching
Authors: Chen Zhang, Xiaofeng Cao, Weiyang Liu, Ivor Tsang, James Kwok
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In this paper, we consider the problem of Iterative Machine Teaching (IMT), where the teacher provides examples to the learner iteratively such that the learner can achieve fast convergence to a target model. However, existing IMT algorithms are solely based on parameterized families of target models. They mainly focus on convergence in the parameter space, resulting in difficulty when the target models are defined to be functions without dependency on parameters. To address such a limitation, we study a more general task – Nonparametric Iterative Machine Teaching (NIMT), which aims to teach nonparametric target models to learners in an iterative fashion. Unlike parametric IMT that merely operates in the parameter space, we cast NIMT as a functional optimization problem in the function space. To solve it, we propose both random and greedy functional teaching algorithms. We obtain the iterative teaching dimension (ITD) of the random teaching algorithm under proper assumptions, which serves as a uniform upper bound of ITD in NIMT. Further, the greedy teaching algorithm has a significantly lower ITD, which reaches a tighter upper bound of ITD in NIMT. Finally, we verify the correctness of our theoretical findings with extensive experiments in nonparametric scenarios.
Matrix Estimation for Individual Fairness
Authors: Cindy Zhang, Sarah Huiyi Cen, Devavrat Shah
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In recent years, multiple notions of algorithmic fairness have arisen. One such notion is individual fairness (IF), which requires that individuals who are similar receive similar treatment. In parallel, matrix estimation (ME) has emerged as a natural paradigm for handling noisy data with missing values. In this work, we connect the two concepts. We show that pre-processing data using ME can improve an algorithm’s IF without sacrificing performance. Specifically, we show that using a popular ME method known as singular value thresholding (SVT) to pre-process the data provides a strong IF guarantee under appropriate conditions. We then show that, under analogous conditions, SVT pre-processing also yields estimates that are consistent and approximately minimax optimal. As such, the ME pre-processing step does not, under the stated conditions, increase the prediction error of the base algorithm, i.e., does not impose a fairness-performance trade-off. We verify these results on synthetic and real data.
Graph Contrastive Backdoor Attacks
Authors: Hangfan Zhang, Jinghui Chen, Lu Lin, Jinyuan Jia, Dinghao Wu
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Graph Contrastive Learning (GCL) has attracted considerable interest due to its impressive node representation learning capability. Despite the wide application of GCL techniques, little attention has been paid to the security of GCL. In this paper, we systematically study the vulnerability of GCL in the presence of malicious backdoor adversaries. In particular, we propose <em>GCBA</em>, the first backdoor attack for graph contrastive learning. GCBA incorporates three attacks: poisoning, crafting, and natural backdoor, each targeting one stage of the GCL pipeline. We formulate our attacks as optimization problems and solve them with a novel discrete optimization technique to overcome the discrete nature of graph-structured data. By extensively evaluating GCBA on multiple datasets and GCL methods, we show that our attack can achieve high attack success rates while preserving stealthiness. We further consider potential countermeasures to our attack and conclude that existing defenses are insufficient to mitigate GCBA. We show that as a complex paradigm involving data and model republishing, GCL is vulnerable to backdoor attacks, and specifically designed defenses are needed to mitigate the backdoor attacks on GCL.
Effective Minkowski Dimension of Deep Nonparametric Regression: Function Approximation and Statistical Theories
Authors: Zixuan Zhang, Minshuo Chen, Mengdi Wang, Wenjing Liao, Tuo Zhao
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Existing theories on deep nonparametric regression have shown that when the input data lie on a low-dimensional manifold, deep neural networks can adapt to the intrinsic data structures. In real world applications, such an assumption of data lying exactly on a low dimensional manifold is stringent. This paper introduces a relaxed assumption that the input data are concentrated around a subset of $ℝ^d$ denoted by $\mathcalS$, and the intrinsic dimension of $\mathcalS$ can be characterized by a new complexity notation – effective Minkowski dimension. We prove that, the sample complexity of deep nonparametric regression only depends on the effective Minkowski dimension of $\mathcalS$ denoted by $p$. We further illustrate our theoretical findings by considering nonparametric regression with an anisotropic Gaussian random design $N(0,Σ)$, where $Σ$ is full rank. When the eigenvalues of $Σ$ have an exponential or polynomial decay, the effective Minkowski dimension of such an Gaussian random design is $p=\mathcalO(\sqrtłog n)$ or $p=\mathcalO(n^γ)$, respectively, where $n$ is the sample size and $γın(0,1)$ is a small constant depending on the polynomial decay rate. Our theory shows that, when the manifold assumption does not hold, deep neural networks can still adapt to the effective Minkowski dimension of the data, and circumvent the curse of the ambient dimensionality for moderate sample sizes.
Tractable Control for Autoregressive Language Generation
Authors: Honghua Zhang, Meihua Dang, Nanyun Peng, Guy Van Den Broeck
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Despite the success of autoregressive large language models in text generation, it remains a major challenge to generate text that satisfies complex constraints: sampling from the conditional distribution $\Pr(\texttext | α)$ is intractable for even the simplest lexical constraints $α$. To overcome this challenge, we propose to use tractable probabilistic models (TPMs) to impose lexical constraints in autoregressive text generation models, which we refer to as GeLaTo (Generating Language with Tractable Constraints). To demonstrate the effectiveness of this framework, we use distilled hidden Markov models, where we can efficiently compute $\Pr(\texttext | α)$, to guide autoregressive generation from GPT2. GeLaTo achieves state-of-the-art performance on challenging benchmarks for constrained text generation (e.g., CommonGen), beating various strong baselines by a large margin. Our work not only opens up new avenues for controlling large language models but also motivates the development of more expressive TPMs.
CataBEEM: Integrating Latent Interaction Categories in Node-wise Community Detection Models for Network Data
Authors: Yuhua Zhang, Walter H. Dempsey
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Community detection is a fundamental task in network analysis. Learning underlying network structures has brought deep insights into the understanding of complex systems. While many methods have focused on clustering nodes into blocks, few accounts for the fact that interactions may exhibit edge-level clustering, which we call categories. Real network data often arise via a series of interactions. Interactions in complex systems can often be clustered into different categories and node-level community structures that depend on the category. In this paper, we introduce a category-and-block edge exchangeable model (CataBEEM) to study interaction networks with joint latent interaction-level category and node-level community structures. In particular, the proposed method models the network from the interaction process perspective and allows the incorporation of prior knowledge from auxiliary interaction-wise information. We derive an efficient variational inference algorithm that can be applied to networks consisting of millions of interactions and provide the theoretical bound of the misspecification rate. We demonstrate the effectiveness of our method in various simulation settings and apply the method to TalkLife data, a large-scale online peer-to-peer support network. We show CataBEEM detects more temporally consistent community structures and has better predictions than other methods.
Rethink DARTS Search Space and Renovate a New Benchmark
Authors: Jiuling Zhang, Zhiming Ding
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS.
Team Belief DAG: Generalizing the Sequence Form to Team Games for Fast Computation of Correlated Team Max-Min Equilibria via Regret Minimization
Authors: Brian Hu Zhang, Gabriele Farina, Tuomas Sandholm
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: A classic result in the theory of extensive-form games asserts that the set of strategies available to any perfect-recall player is strategically equivalent to a low-dimensional convex polytope, called the <em>sequence-form polytope</em>. Online convex optimization tools operating on this polytope are the current state-of-the-art for computing several notions of equilibria in games, and have been crucial in landmark applications of computational game theory. However, when optimizing over the <em>joint</em> strategy space of a <em>team</em> of players, one cannot use the sequence form to obtain a strategically-equivalent convex description of the strategy set of the team. In this paper, we provide new complexity results on the computation of optimal strategies for teams, and propose a new representation, coined <em>team belief DAG (TB-DAG)</em>, that describes team strategies as a convex set. The TB-DAG enjoys state-of-the-art parameterized complexity bounds, while at the same time enjoying the advantages of efficient regret minimization techniques. We show that TB-DAG can be exponentially smaller and can be computed exponentially faster than all other known representations, and that the converse is never true. Experimentally, we show that the TB-DAG, when paired with learning techniques, yields state of the art on a wide variety of benchmark team games.
A Complete Expressiveness Hierarchy for Subgraph GNNs via Subgraph Weisfeiler-Lehman Tests
Authors: Bohang Zhang, Guhao Feng, Yiheng Du, Di He, Liwei Wang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design paradigms differ in terms of expressive power, nor is it clear what design principle achieves maximal expressiveness with minimal architectural complexity. To address these fundamental questions, this paper conducts a systematic study of general node-based subgraph GNNs through the lens of Subgraph Weisfeiler-Lehman Tests (SWL). Our central result is to build a complete hierarchy of SWL with strictly growing expressivity. Concretely, we prove that any node-based subgraph GNN falls into one of the six SWL equivalence classes, among which $\mathsfSSWL$ achieves the maximal expressive power. We also study how these equivalence classes differ in terms of their practical expressiveness such as encoding graph distance and biconnectivity. In addition, we give a tight expressivity upper bound of all SWL algorithms by establishing a close relation with localized versions of WL and Folklore WL (FWL) tests. Overall, our results provide insights into the power of existing subgraph GNNs, guide the design of new architectures, and point out their limitations by revealing an inherent gap with the 2-FWL test. Finally, experiments demonstrate that $\mathsfSSWL$-inspired subgraph GNNs can significantly outperform prior architectures on multiple benchmarks despite great simplicity.
Crafting Training Degradation Distribution for the Accuracy-Generalization Trade-off in Real-World Super-Resolution
Authors: Ruofan Zhang, Jinjin Gu, Haoyu Chen, Chao Dong, Yulun Zhang, Wenming Yang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Super-resolution (SR) techniques designed for real-world applications commonly encounter two primary challenges: generalization performance and restoration accuracy. We demonstrate that when methods are trained using complex, large-range degradations to enhance generalization, a decline in accuracy is inevitable. However, since the degradation in a certain real-world applications typically exhibits a limited variation range, it becomes feasible to strike a trade-off between generalization performance and testing accuracy within this scope. In this work, we introduce a novel approach to craft training degradation distributions using a small set of reference images. Our strategy is founded upon the binned representation of the degradation space and the Frechet distance between degradation distributions. Our results indicate that the proposed technique significantly improves the performance of test images while preserving generalization capabilities in real-world applications.
Prompting Large Language Model for Machine Translation: A Case Study
Authors: Biao Zhang, Barry Haddow, Alexandra Birch
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Research on prompting has shown excellent performance with little or even no supervised training across many tasks. However, prompting for machine translation is still under-explored in the literature. We fill this gap by offering a systematic study on prompting strategies for translation, examining various factors for prompt template and demonstration example selection. We further explore the use of monolingual data and the feasibility of cross-lingual, cross-domain, and sentence-to-document transfer learning in prompting. Extensive experiments with GLM-130B (Zeng et al., 2022) as the testbed show that 1) the number and the quality of prompt examples matter, where using suboptimal examples degenerates translation; 2) several features of prompt examples, such as semantic similarity, show significant Spearman correlation with their prompting performance; yet, none of the correlations are strong enough; 3) using pseudo parallel prompt examples constructed from monolingual data via zero-shot prompting could improve translation; and 4) improved performance is achievable by transferring knowledge from prompt examples selected in other settings. We finally provide an analysis on the model outputs and discuss several problems that prompting still suffers from.
On the Interplay Between Misspecification and Sub-optimality Gap in Linear Contextual Bandits
Authors: Weitong Zhang, Jiafan He, Zhiyuan Fan, Quanquan Gu
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We study linear contextual bandits in the misspecified setting, where the expected reward function can be approximated by a linear function class up to a bounded misspecification level $ζ>0$. We propose an algorithm based on a novel data selection scheme, which only selects the contextual vectors with large uncertainty for online regression. We show that, when the misspecification level $ζ$ is dominated by $\tilde O(Δ / \sqrtd)$ with $Δ$ being the minimal sub-optimality gap and $d$ being the dimension of the contextual vectors, our algorithm enjoys the same gap-dependent regret bound $\tilde O (d^2 /Δ)$ as in the well-specified setting up to logarithmic factors. Given this result, we show that the existing SupLinUCB algorithm (Chu et al., 2011) can also achieve a gap-dependent constant regret bound without the knowledge of sub-optimality gap $Δ$. Together with a lower bound adapted from Lattimore et al. (2020), our result suggests an interplay between the misspecification level and the sub-optimality gap: (1) the linear contextual bandit model is efficiently learnable when $ζ łeq \tilde O(Δ / \sqrtd)$; and (2) it is not efficiently learnable when $ζ ≥ \tilde Ømega(Δ / \sqrtd)$. Experiments on both synthetic and real-world datasets corroborate our theoretical results.
When Sparsity Meets Contrastive Models: Less Graph Data Can Bring Better Class-Balanced Representations
Authors: Chunhui Zhang, Chao Huang, Yijun Tian, Qianlong Wen, Zhongyu Ouyang, Youhuan Li, Yanfang Ye, Chuxu Zhang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Graph Neural Networks (GNNs) are powerful models for non-Euclidean data, but their training is often accentuated by massive unnecessary computation: on the one hand, training on non-Euclidean data has relatively high computational cost due to its irregular density properties; on the other hand, the class imbalance property often associated with non-Euclidean data cannot be alleviated by the massiveness of the data, thus hindering the generalisation of the models. To address the above issues, theoretically, we start with a hypothesis about the effectiveness of using a subset of training data for GNNs, which is guaranteed by the gradient distance between the subset and the full set. Empirically, we also observe that a subset of the data can provide informative gradients for model optimization and which changes over time dynamically. We name this phenomenon dynamic data sparsity. Additionally, we find that pruned sparse contrastive models may miss valuable information, leading to a large loss value on the informative subset. Motivated by the above findings, we develop a unified data model dynamic sparsity framework called Data Decantation (DataDec) to address the above challenges. The key idea of DataDec is to identify the informative subset dynamically during the training process by applying sparse graph contrastive learning. The effectiveness of DataDec is comprehensively evaluated on graph benchmark datasets and we also verify its generalizability on image data.
Spatial-Temporal Graph Learning with Adversarial Contrastive Adaptation
Authors: Qianru Zhang, Chao Huang, Lianghao Xia, Zheng Wang, Siu Ming Yiu, Ruihua Han
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Spatial-temporal graph learning has emerged as the state-of-the-art solution for modeling structured spatial-temporal data in learning region representations for various urban sensing tasks (e.g., crime forecasting, traffic flow prediction). However, most existing models are vulnerable to the quality of the generated region graph due to the inartistic graph-structured information aggregation schema. The ubiquitous spatial-temporal data noise and incompleteness in real-life scenarios bring difficulties to generate high-quality region representations. In this paper, we propose a Spatial-Temporal Adversarial Graph contrastive learning model (STAG) to tackle this challenge for adaptive self-supervised graph augmentation. Specifically, we propose a learnable contrastive learning function that enables the automated distillation of important multi-view self-supervised signals for adaptive spatial-temporal graph augmentation. To enhance the representation discrimination ability and robustness, the designed adversarial contrastive learning mechanism empowers STAG to adaptively identify hard samples for better self-supervision. Finally, a cross-view contrastive learning paradigm is introduced to model the inter-dependencies across view-specific region representations and preserve the underlying relation heterogeneity. We verify the superiority of our STAG method in various spatial-temporal prediction tasks on several benchmark datasets.
Towards Coherent Image Inpainting Using Denoising Diffusion Implicit Models
Authors: Guanhua Zhang, Jiabao Ji, Yang Zhang, Mo Yu, Tommi Jaakkola, Shiyu Chang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Image inpainting refers to the task of generating a complete, natural image based on a partially revealed reference image. Recently, many research interests have been focused on addressing this problem using fixed diffusion models. These approaches typically directly replace the revealed region of the intermediate or final generated images with that of the reference image or its variants. However, since the unrevealed regions are not directly modified to match the context, it results in incoherence between revealed and unrevealed regions. To address the incoherence problem, a small number of methods introduce a rigorous Bayesian framework, but they tend to introduce mismatches between the generated and the reference images due to the approximation errors in computing the posterior distributions. In this paper, we propose CoPaint, which can coherently inpaint the whole image without introducing mismatches. CoPaint also uses the Bayesian framework to jointly modify both revealed and unrevealed regions but approximates the posterior distribution in a way that allows the errors to gradually drop to zero throughout the denoising steps, thus strongly penalizing any mismatches with the reference image. Our experiments verify that CoPaint can outperform the existing diffusion-based methods under both objective and subjective metrics.
CAB: Comprehensive Attention Benchmarking on Long Sequence Modeling
Authors: Jun Zhang, Shuyang Jiang, Jiangtao Feng, Lin Zheng, Lingpeng Kong
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Transformer has achieved remarkable success in language, image, and speech processing. Recently, various efficient attention architectures have been proposed to improve transformer’s efficiency while largely preserving its efficacy, especially in modeling long sequences. A widely-used benchmark to test these efficient methods’ capability on long-range modeling is Long Range Arena (LRA). However, LRA only focuses on the standard bidirectional (or noncausal) self attention, and completely ignores cross attentions and unidirectional (or causal) attentions, which are equally important to downstream applications. In this paper, we propose Comprehensive Attention Benchmark (CAB) under a fine-grained attention taxonomy with four distinguishable attention patterns, namely, noncausal self, causal self, noncausal cross, and causal cross attentions. CAB collects seven real-world tasks from different research areas to evaluate efficient attentions under the four attention patterns. Among these tasks, CAB validates efficient attentions in eight backbone networks to show their generalization across neural architectures. We conduct exhaustive experiments to benchmark the performances of nine widely-used efficient attention architectures designed with different philosophies on CAB. Extensive experimental results also shed light on the fundamental problems of efficient attentions, such as efficiency length against vanilla attention, performance consistency across attention patterns, the benefit of attention mechanisms, and interpolation/extrapolation on long-context language modeling.
Adaptive Barrier Smoothing for First-Order Policy Gradient with Contact Dynamics
Authors: Shenao Zhang, Wanxin Jin, Zhaoran Wang
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Differentiable physics-based simulators have witnessed remarkable success in robot learning involving contact dynamics, benefiting from their improved accuracy and efficiency in solving the underlying complementarity problem. However, when utilizing the First-Order Policy Gradient (FOPG) method, our theory indicates that the complementarity-based systems suffer from stiffness, leading to an explosion in the gradient variance of FOPG. As a result, optimization becomes challenging due to chaotic and non-smooth loss landscapes. To tackle this issue, we propose a novel approach called Adaptive Barrier Smoothing (ABS), which introduces a class of softened complementarity systems that correspond to barrier-smoothed objectives. With a contact-aware adaptive central-path parameter, ABS reduces the FOPG gradient variance while controlling the gradient bias. We justify the adaptive design by analyzing the roots of the system’s stiffness. Additionally, we establish the convergence of FOPG and show that ABS achieves a reasonable trade-off between the gradient variance and bias by providing their upper bounds. Moreover, we present a variant of FOPG based on complementarity modeling that efficiently fits the contact dynamics by learning the physical parameters. Experimental results on various robotic tasks are provided to support our theory and method.