GenAI4ELab/papercli-papers huggingface dataset:
Multi-Resolution Diffusion Models for Time Series Forecasting
Authors: Lifeng Shen; Weiyu Chen; James Kwok
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: The diffusion model has been successfully used in many computer vision applications, such as text-guided image generation and image-to-image translation. Recently, there have been attempts on extending the diffusion model for time series data. However, these extensions are fairly straightforward and do not utilize the unique properties of time series data. As different patterns are usually exhibited at multiple scales of a time series, we in this paper leverage this multi-resolution temporal structure and propose the multi-resolution diffusion model (mr-Diff). By using the seasonal-trend decomposition, we sequentially extract fine-to-coarse trends from the time series for forward diffusion. The denoising process then proceeds in an easy-to-hard non-autoregressive manner. The coarsest trend is generated first. Finer details are progressively added, using the predicted coarser trends as condition variables. Experimental results on nine real-world time series datasets demonstrate that mr-Diff outperforms state-of-the-art time series diffusion models. It is also better than or comparable across a wide variety of advanced time series prediction models.
Unleashing the Potential of Fractional Calculus in Graph Neural Networks with FROND
Authors: Qiyu Kang; Kai Zhao; Qinxu Ding; Feng Ji; Xuhao Li; Wenfei Liang; Yang Song; Wee Peng Tay
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: We introduce the FRactional-Order graph Neural Dynamical network (FROND), a new continuous graph neural network (GNN) framework. Unlike traditional continuous GNNs that rely on integer-order differential equations, FROND employs the Caputo fractional derivative to leverage the non-local properties of fractional calculus. This approach enables the capture of long-term dependencies in feature updates, moving beyond the Markovian update mechanisms in conventional integer-order models and offering enhanced capabilities in graph representation learning. 
We offer an interpretation of the node feature updating process in FROND from a non-Markovian random walk perspective when the feature updating is particularly governed by a diffusion process.
We demonstrate analytically that oversmoothing can be mitigated in this setting.
Experimentally, we validate the FROND framework by comparing the fractional adaptations of various established integer-order continuous GNNs, demonstrating their consistently improved performance and underscoring the framework's potential as an effective extension to enhance traditional continuous GNNs.
The code is available at \url{https://github.com/zknus/ICLR2024-FROND}.
CLIP the Bias: How Useful is Balancing Data in Multimodal Learning?
Authors: Ibrahim Alabdulmohsin; Xiao Wang; Andreas Peter Steiner; Priya Goyal; Alexander D'Amour; Xiaohua Zhai
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We study data-balancing for mitigating biases in contrastive language-image pretraining (CLIP), identifying areas of strength and limitation. First, we reaffirm prior conclusions that CLIP can inadvertently absorb stereotypes. To counter this, we present a novel algorithm, called Multi-Modal Moment Matching (M4), designed to reduce both representation and association biases in multimodal data. We use M4 to conduct an in-depth analysis taking into account various factors, such as the model, representation, and data size. Our study also explores the dynamic nature of how CLIP learns/unlearns biases. In particular, we find that fine-tuning is effective in countering representation biases, though its impact diminishes for association biases. Also, data balancing has a mixed impact on quality: it tends to improve classification but can hurt retrieval. Interestingly, data and architectural improvements seem to mitigate the negative impact of data balancing on performance; e.g. applying M4 to SigLIP-B/16 with data quality filters improves COCO image-to-text retrieval @5 from 86% (without data balancing) to 87% and ImageNet 0-shot classification from 77% to 77.5%! Finally, we conclude with recommendations for improving the efficacy of data balancing in multimodal systems.
On Error Propagation of Diffusion Models
Authors: Yangming Li; Mihaela van der Schaar
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Although diffusion models (DMs) have shown promising performances in a number of tasks (e.g., speech synthesis and image generation), they might suffer from error propagation because of their sequential structure. However, this is not certain because some sequential models, such as Conditional Random Field (CRF), are free from this problem. To address this issue, we develop a theoretical framework to mathematically formulate error propagation in the architecture of DMs, The framework contains three elements, including modular error, cumulative error, and propagation equation. The modular and cumulative errors are related by the equation, which interprets that DMs are indeed affected by error propagation. Our theoretical study also suggests that the cumulative error is closely related to the generation quality of DMs. Based on this finding, we apply the cumulative error as a regularization term to reduce error propagation. Because the term is computationally intractable, we derive its upper bound and design a bootstrap algorithm to efficiently estimate the bound for optimization. We have conducted extensive experiments on multiple image datasets, showing that our proposed regularization reduces error propagation, significantly improves vanilla DMs, and outperforms previous baselines.
The Update-Equivalence Framework for Decision-Time Planning
Authors: Samuel Sokota; Gabriele Farina; David J Wu; Hengyuan Hu; Kevin A. Wang; J Zico Kolter; Noam Brown
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: The process of revising (or constructing) a policy at execution time---known as decision-time planning---has been key to achieving superhuman performance in perfect-information games like chess and Go. A recent line of work has extended decision-time planning to imperfect-information games, leading to superhuman performance in poker. However, these methods involve solving subgames whose sizes grow quickly in the amount of non-public information, making them unhelpful when the amount of non-public information is large.
Motivated by this issue, we introduce an alternative framework for decision-time planning that is not based on solving subgames, but rather on update equivalence. In this update-equivalence framework, decision-time planning algorithms replicate the updates of last-iterate algorithms, which need not rely on public information. This facilitates scalability to games with large amounts of non-public information. Using this framework, we derive a provably sound search algorithm for fully cooperative games based on mirror descent and a search algorithm for adversarial games based on magnetic mirror descent. We validate the performance of these algorithms in cooperative and adversarial domains, notably in Hanabi, the standard benchmark for search in fully cooperative imperfect-information games. Here, our mirror descent approach exceeds or matches the performance of public information-based search while using two orders of magnitude less search time. This is the first instance of a non-public-information-based algorithm outperforming public-information-based approaches in a domain they have historically dominated.
Soft Mixture Denoising: Beyond the Expressive Bottleneck of Diffusion Models
Authors: Yangming Li; Boris van Breugel; Mihaela van der Schaar
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Because diffusion models have shown impressive performances in a number of tasks, such as image synthesis, there is a trend in recent works to prove (with certain assumptions) that these models have strong approximation capabilities. In this paper, we show that current diffusion models actually have an expressive bottleneck in backward denoising and some assumption made by existing theoretical guarantees is too strong. Based on this finding, we prove that diffusion models have unbounded errors in both local and global denoising. In light of our theoretical studies, we introduce soft mixture denoising (SMD), an expressive and efficient model for backward denoising. SMD not only permits diffusion models to well approximate any Gaussian mixture distributions in theory, but also is simple and efficient for implementation. Our experiments on multiple image datasets show that SMD significantly improves different types of diffusion models (e.g., DDPM), espeically in the situation of few backward iterations.
LabelDP-Pro: Learning with Label Differential Privacy via Projections
Authors: Badih Ghazi; Yangsibo Huang; Pritish Kamath; Ravi Kumar; Pasin Manurangsi; Chiyuan Zhang
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Label differentially private (label DP) algorithms seek to preserve the privacy of the labels in a training dataset in settings where the features are known to the adversary. In this work, we study a new family of label DP training algorithms. Unlike most prior label DP algorithms that have been based on label randomization, our algorithm naturally leverages the power of the central model of DP. It interleaves gradient projection operations with private stochastic gradient descent steps in order to improve the utility of the trained model while guaranteeing the privacy of the labels. We show that such projection-based algorithms can be made practical and that they improve on the state-of-the art for label DP training in the high-privacy regime. We complement our empirical evaluation with theoretical results shedding light on the efficacy of our method through the lens of bias-variance trade-offs.
AUC-CL: A Batchsize-Robust Framework for Self-Supervised Contrastive Representation Learning
Authors: Rohan Sharma; Kaiyi Ji; zhiqiang xu; Changyou Chen
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Self-supervised learning through contrastive representations is an emergent and promising avenue, aiming at alleviating the availability of labeled data. Recent research in the field also demonstrates its viability for several downstream tasks, henceforth leading to works that implement the contrastive principle through innovative loss functions and methods. However, despite achieving impressive progress, most methods depend on prohibitively large batch sizes and compute requirements for good performance. 
In this work, we propose the $\textbf{AUC}$-$\textbf{C}$ontrastive $\textbf{L}$earning, a new approach to contrastive learning that demonstrates robust and competitive performance in compute-limited regimes. 
We propose to incorporate the contrastive objective within the AUC-maximization framework, by noting that the AUC metric is maximized upon enhancing the probability of the network's binary prediction difference between positive and negative samples which inspires adequate embedding space arrangements in representation learning. Unlike standard contrastive methods, when performing stochastic optimization, our method maintains unbiased stochastic gradients and thus is more robust to batchsizes as opposed to standard stochastic optimization problems.
Remarkably, our method with a batch size of 256, outperforms several state-of-the-art methods that may need much larger batch sizes (e.g., 4096), on ImageNet and other standard datasets. Experiments on transfer learning, few-shot learning, and other downstream tasks also demonstrate the viability of our method.
MetaPhysiCa: Improving OOD Robustness in Physics-informed Machine Learning
Authors: S Chandra Mouli; Muhammad Alam; Bruno Ribeiro
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: A fundamental challenge in physics-informed machine learning (PIML) is the design of robust PIML methods for out-of-distribution (OOD) forecasting tasks. These OOD tasks require learning-to-learn from observations of the same (ODE) dynamical system with different unknown ODE parameters, and demand accurate forecasts even under out-of-support initial conditions and out-of-support ODE parameters. In this work we propose to improve the OOD robustness of PIML via a meta-learning procedure for causal structure discovery. Using three different OOD tasks, we empirically observe that the proposed approach significantly outperforms existing state-of-the-art PIML and deep learning methods (with $2\times$ to $28\times$ lower OOD errors).
Teaching Arithmetic to Small Transformers
Authors: Nayoung Lee; Kartik Sreenivasan; Jason D. Lee; Kangwook Lee; Dimitris Papailiopoulos
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Large language models like GPT-4 exhibit emergent capabilities across general-purpose tasks, such as basic arithmetic, when trained on extensive text data, even though these tasks are not explicitly encoded by the unsupervised, next-token prediction objective. This study investigates how even small transformers, trained from random initialization, can efficiently learn arithmetic operations such as addition, multiplication, and elementary functions like square root, using the next-token prediction objective. We first demonstrate that conventional training data is not the most effective for arithmetic learning, and simple formatting changes can significantly improve accuracy. This leads to sharp phase transitions as a function of training data scale, which, in some cases, can be explained through connections to low-rank matrix completion. Building on prior work, we then train on chain-of-thought style data that includes intermediate step results. Even in the complete absence of pretraining, this approach significantly and simultaneously improves accuracy, sample complexity, and convergence speed. We also study the interplay between arithmetic and text data during training and examine the effects of few-shot prompting, pretraining, and parameter scaling. Additionally, we discuss the challenges associated with length generalization. Our work highlights the importance of high-quality, instructive data that considers the particular characteristics of the next-word prediction loss for rapidly eliciting arithmetic capabilities.
ReMasker: Imputing Tabular Data with Masked Autoencoding
Authors: Tianyu Du; Luca Melis; Ting Wang
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We present ReMasker, a new method of imputing missing values in tabular data by extending the masked autoencoding framework. Compared with prior work, ReMasker is extremely simple -- besides the missing values (i.e., naturally masked), we randomly "re-mask" another set of values, optimize the autoencoder by reconstructing this re-masked set, and apply the trained model to predict the missing values; and yet highly effective -- with extensive evaluation on benchmark datasets, we show that ReMasker performs on par with or outperforms state-of-the-art methods in terms of both imputation fidelity and utility under various missingness settings, while its performance advantage often increases with the ratio of missing data. We further explore theoretical justification for its effectiveness, showing that ReMasker tends to learn missingness-invariant representations of tabular data. Our findings indicate that masked modeling represents a promising direction for further research on tabular data imputation. The code is publicly available.
Variance Reduced Halpern Iteration for Finite-Sum Monotone Inclusions
Authors: Xufeng Cai; Ahmet Alacaoglu; Jelena Diakonikolas
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Machine learning approaches relying on such criteria as adversarial robustness or multi-agent settings have raised the need for solving game-theoretic equilibrium problems. Of particular relevance to these applications are methods targeting finite-sum structure, which generically arises in empirical variants of learning problems in these contexts. Further, methods with computable approximation errors are highly desirable, as they provide verifiable exit criteria. Motivated by these applications, we study finite-sum monotone inclusion problems, which model broad classes of equilibrium problems. Our main contributions are variants of the classical Halpern iteration that employ variance reduction to obtain improved complexity guarantees in which $n$ component operators in the finite sum are ``on average'' either cocoercive or Lipschitz continuous and monotone, with parameter $L$. The resulting oracle complexity of our methods, which provide guarantees for the last iterate and for a (computable) operator norm residual, is $\widetilde{\mathcal{O}}( n + \sqrt{n}L\varepsilon^{-1})$, which improves upon existing methods by a factor up to $\sqrt{n}$. This constitutes the first variance reduction-type result for general finite-sum monotone inclusions and for more specific problems such as convex-concave optimization when operator norm residual is the optimality measure. We further argue that, up to poly-logarithmic factors, this complexity is unimprovable in the monotone Lipschitz setting; i.e., the provided result is near-optimal.
A Dynamical View of the Question of Why
Authors: Mehdi Fatemi; Sindhu C. M. Gowda
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We address causal reasoning in multivariate time series data generated by stochastic processes. Existing approaches are largely restricted to static settings, ignoring the continuity and emission of variations across time. In contrast, we propose a learning paradigm that directly establishes causation between events in the course of time. We present two key lemmas to compute causal contributions and frame them as reinforcement learning problems. Our approach offers formal and computational tools for uncovering and quantifying causal relationships in diffusion processes, subsuming various important settings such as discrete-time Markov decision processes. Finally, in fairly intricate experiments and through sheer learning, our framework reveals and quantifies causal links, which otherwise seem inexplicable.
DrS: Learning Reusable Dense Rewards for Multi-Stage Tasks
Authors: Tongzhou Mu; Minghua Liu; Hao Su
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: The success of many RL techniques heavily relies on human-engineered dense rewards, which typically demands substantial domain expertise and extensive trial and error. In our work, we propose **DrS** (**D**ense **r**eward learning from **S**tages), a novel approach for learning *reusable* dense rewards for multi-stage tasks in a data-driven manner. By leveraging the stage structures of the task, DrS learns a high-quality dense reward from sparse rewards and demonstrations if given. The learned rewards can be *reused* in unseen tasks, thus reducing the human effort for reward engineering. Extensive experiments on three physical robot manipulation task families with 1000+ task variants demonstrate that our learned rewards can be reused in unseen tasks, resulting in improved performance and sample efficiency of RL algorithms. The learned rewards even achieve comparable performance to human-engineered rewards on some tasks. See our [project page](https://sites.google.com/view/iclr24drs) for more details.
Fair Classifiers that Abstain without Harm
Authors: Tongxin Yin; Jean-Francois Ton; Ruocheng Guo; Yuanshun Yao; Mingyan Liu; Yang Liu
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: In critical applications, it is vital for classifiers to defer decision-making to humans. We propose a post-hoc method that makes existing classifiers selectively abstain from predicting certain samples. Our abstaining classifier is incentivized to maintain the original accuracy for each sub-population (i.e. no harm) while achieving a set of group fairness definitions to a user specified degree. To this end, we design an Integer Programming (IP) procedure that assigns abstention decisions for each training sample to satisfy a set of constraints. To generalize the abstaining decisions to test samples, we then train a surrogate model to learn the abstaining decisions based on the IP solutions in an end-to-end manner. We analyze the feasibility of the IP procedure to determine the possible abstention rate for different levels of unfairness tolerance and accuracy constraint for achieving no harm. To the best of our knowledge, this work is the first to identify the theoretical relationships between the constraint parameters and the required abstention rate. Our theoretical results are important since a high abstention rate is often infeasible in practice due to a lack of human resources. Our framework outperforms existing methods in terms of fairness disparity without sacrificing accuracy at similar abstention rates.
Aligning Relational Learning with Lipschitz Fairness
Authors: Yaning Jia; Chunhui Zhang; Soroush Vosoughi
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Relational learning has gained significant attention, led by the expressiveness of Graph Neural Networks (GNNs) on graph data. While the inherent biases in common graph data are involved in GNN training, it poses a serious challenge to constraining the GNN output perturbations induced by input biases, thereby safeguarding fairness during training. The Lipschitz bound, a technique from robust statistics, can limit the maximum changes in the output concerning the input, taking into account associated irrelevant biased factors. It is an efficient and provable method to examine the output stability of machine learning models without incurring additional computational costs. Recently, its use in controlling the stability of Euclidean neural networks, the calculation of the precise Lipschitz bound remains elusive for non-Euclidean neural networks like GNNs, especially within fairness contexts. However, no existing research has investigated Lipschitz bounds to shed light on stabilizing the GNN outputs, especially when working on graph data with implicit biases. To narrow this gap, we begin with the general GNNs operating on relational data, and formulate a Lipschitz bound to limit the changes in the output regarding biases associated with the input. Additionally, we theoretically analyze how the Lipschitz bound of a GNN model could constrain the output perturbations induced by biases learned from data for fairness training. We experimentally validate the Lipschitz bound's effectiveness in limiting biases of the model output. Finally, from a training dynamics perspective, we demonstrate why the theoretical Lipschitz bound can effectively guide the GNN training to better trade-off between accuracy and fairness.