ICLR 2024 论文列表

We study both stream-based and pool-based active learning with neural network approximations. A recent line of works proposed bandit-based approaches that transformed active learning into a bandit problem, achieving both theoretical and empirical success. However, the performance and computational costs of these methods may be susceptible to the number of classes, denoted as $K$, due to this transformation. Therefore, this paper seeks to answer the question: "How can we mitigate the adverse impacts of $K$ while retaining the advantages of principled exploration and provable performance guarantees in active learning?" To tackle this challenge, we propose two algorithms based on the newly designed exploitation and exploration neural networks for stream-based and pool-based active learning. Subsequently, we provide theoretical performance guarantees for both algorithms in a non-parametric setting, demonstrating a slower error-growth rate concerning $K$ for the proposed approaches. We use extensive experiments to evaluate the proposed algorithms, which consistently outperform state-of-the-art baselines.

We study infinite-horizon average-reward Markov decision processes (AMDPs) in the context of general function approximation. Specifically, we propose a novel algorithmic framework named Local-fitted Optimization with OPtimism (LOOP), which incorporates both model-based and value-based incarnations. In particular, LOOP features a novel construction of confidence sets and a low-switching policy updating scheme, which are tailored to the average-reward and function approximation setting. Moreover, for AMDPs, we propose a novel complexity measure --- average-reward generalized eluder coefficient (AGEC) --- which captures the challenge of exploration in AMDPs with general function approximation. Such a complexity measure encompasses almost all previously known tractable AMDP models, such as linear AMDPs and linear mixture AMDPs, and also includes newly identified cases such as kernel AMDPs and AMDPs with Bellman eluder dimensions. Using AGEC, we prove that LOOP achieves a sublinear $\tilde{\mathcal{O}}(\mathrm{poly}(d, \mathrm{sp}(V^*)) \sqrt{T\beta} )$ regret, where $d$ and $\beta$ correspond to AGEC and log-covering number of the hypothesis class respectively, $\mathrm{sp}(V^*)$ is the span of the optimal state bias function, $T$ denotes the number of steps, and $\tilde{\mathcal{O}} (\cdot) $ omits logarithmic factors. When specialized to concrete AMDP models, our regret bounds are comparable to those established by the existing algorithms designed specifically for these special cases. To the best of our knowledge, this paper presents the first comprehensive theoretical framework capable of handling nearly all AMDPs.

We introduce GAIA, a benchmark for General AI Assistants that, if solved, would represent a milestone in AI research. GAIA proposes real-world questions that require a set of fundamental abilities such as reasoning, multi-modality handling, web browsing, and generally tool-use proficiency. GAIA questions are conceptually simple for humans yet challenging for most advanced AIs: we show that human respondents obtain 92% vs. 15% for GPT-4 equipped with plugins. This notable performance disparity contrasts with the recent trend of LLMs outperforming humans on tasks requiring professional skills in e.g. law or chemistry. GAIA’s philosophy departs from the current trend in AI benchmarks suggesting to target tasks that are ever more difficult for humans. We posit that the advent of Artificial General Intelligence (AGI) hinges on a system’s capability to exhibit similar robustness as the average human does on such questions. Using GAIA’s methodology, we devise 466 questions and their answer. We release our questions while retaining answers to 300 of them to power a leader-board accessible at https://huggingface.co/gaia-benchmark.

AI systems based on deep learning have reached or surpassed human performance in a range of narrow domains. In coming years or decades, artificial general intelligence (AGI) may surpass human capabilities at many critical tasks. In this position paper, we examine the technical difficulty of fine-tuning hypothetical AGI systems based on pretrained deep models to pursue goals that are aligned with human interests. We argue that, if trained like today's most capable models, AGI systems could learn to act deceptively to receive higher reward, learn internally-represented goals which generalize beyond their fine-tuning distributions, and pursue those goals using power-seeking strategies. We review emerging evidence for these properties. AGIs with these properties would be difficult to align and may appear aligned even when they are not.

Connectionist Temporal Classification (CTC) is a widely used criterion for training supervised sequence-to-sequence (seq2seq) models. It learns the alignments between the input and output sequences by marginalizing over the perfect alignments (that yield the ground truth), at the expense of the imperfect ones. This dichotomy, and in particular the equal treatment of all perfect alignments, results in a lack of controllability over the predicted alignments. This controllability is essential for capturing properties that hold significance in real-world applications. Here we propose Align With Purpose (AWP), a general Plug-and-Play framework for enhancing a desired property in models trained with the CTC criterion. We do that by complementing the CTC loss with an additional loss term that prioritizes alignments according to a desired property. AWP does not require any intervention in the CTC loss function, and allows to differentiate between both perfect and imperfect alignments for a variety of properties. We apply our framework in the domain of Automatic Speech Recognition (ASR) and show its generality in terms of property selection, architectural choice, and scale of the training dataset (up to 280,000 hours). To demonstrate the effectiveness of our framework, we apply it to two unrelated properties: token emission time for latency optimization and word error rate (WER). For the former, we report an improvement of up to 590ms in latency optimization with a minor reduction in WER, and for the latter, we report a relative improvement of 4.5% in WER over the baseline models. To the best of our knowledge, these applications have never been demonstrated to work on this scale of data. Notably, our method can be easily implemented using only a few lines of code and can be extended to other alignment-free loss functions and to domains other than ASR.

Joint embedding (JE) architectures have emerged as a promising avenue for ac- quiring transferable data representations. A key obstacle to using JE methods, however, is the inherent challenge of evaluating learned representations without access to a downstream task, and an annotated dataset. Without efficient and re- liable evaluation, it is difficult to iterate on architectural and training choices for JE methods. In this paper, we introduce LiDAR (Linear Discriminant Analysis Rank), a metric designed to measure the quality of representations within JE archi- tectures. Our metric addresses several shortcomings of recent approaches based on feature covariance rank by discriminating between informative and uninforma- tive features. In essence, LiDAR quantifies the rank of the Linear Discriminant Analysis (LDA) matrix associated with the surrogate SSL task—a measure that intuitively captures the information content as it pertains to solving the SSL task. We empirically demonstrate that LiDAR significantly surpasses naive rank based approaches in its predictive power of optimal hyperparameters. Our proposed cri- terion presents a more robust and intuitive means of assessing the quality of rep- resentations within JE architectures, which we hope facilitates broader adoption of these powerful techniques in various domains.

In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can match the performance of gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a *teaching sequence*, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement *two distinct* algorithms to solve a *single* task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.

This paper introduces a framework for formally establishing a connection between a portion of an algebraic language and a Graph Neural Network (GNN). The framework leverages Context-Free Grammars (CFG) to organize algebraic operations into generative rules that can be translated into a GNN layer model. As CFGs derived directly from a language tend to contain redundancies in their rules and variables, we present a grammar reduction scheme. By applying this strategy, we define a CFG that conforms to the third-order Weisfeiler-Lehman (3-WL) test using the matricial language MATLANG. From this 3-WL CFG, we derive a GNN model, named G$^2$N$^2$, which is provably 3-WL compliant. Through various experiments, we demonstrate the superior efficiency of G$^2$N$^2$ compared to other 3-WL GNNs across numerous downstream tasks. Specifically, one experiment highlights the benefits of grammar reduction within our framework.

Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory and corresponding assumptions on the form of data. We propose Neural Fourier Transform (NFT), a general framework of learning the latent linear action of the group without assuming explicit knowledge of how the group acts on data. We present the theoretical foundations of NFT and show that the existence of a linear equivariant feature, which has been assumed ubiquitously in equivariance learning, is equivalent to the existence of a group invariant kernel on the dataspace. We also provide experimental results to demonstrate the application of NFT in typical scenarios with varying levels of knowledge about the acting group.

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.

Semi-supervised learning (SSL) has witnessed great progress with various improvements in the self-training framework with pseudo labeling. The main challenge is how to distinguish high-quality pseudo labels against the confirmation bias. However, existing pseudo-label selection strategies are limited to pre-defined schemes or complex hand-crafted policies specially designed for classification, failing to achieve high-quality labels, fast convergence, and task versatility simultaneously. To these ends, we propose a Semi-supervised Reward framework (SemiReward) that predicts reward scores to evaluate and filter out high-quality pseudo labels, which is pluggable to mainstream SSL methods in wide task types and scenarios. To mitigate confirmation bias, SemiReward is trained online in two stages with a generator model and subsampling strategy. With classification and regression tasks on 13 standard SSL benchmarks across three modalities, extensive experiments verify that SemiReward achieves significant performance gains and faster convergence speeds upon Pseudo Label, FlexMatch, and Free/SoftMatch. Code and models are available at https://github.com/Westlake-AI/SemiReward.

Topological data analysis (TDA) is a powerful technique for extracting complex and valuable shape-related summaries of high-dimensional data. However, the computational demands of classical algorithms for computing TDA are exorbitant, and quickly become impractical for high-order characteristics. Quantum computers offer the potential of achieving significant speedup for certain computational problems. Indeed, TDA has been purported to be one such problem, yet, quantum computing algorithms proposed for the problem, such as the original Quantum TDA (QTDA) formulation by Lloyd, Garnerone and Zanardi, require fault-tolerance qualifications that are currently unavailable. In this study, we present NISQ-TDA, a fully implemented end-to-end quantum machine learning algorithm needing only a short circuit-depth, that is applicable to high-dimensional classical data, and with provable asymptotic speedup for certain classes of problems. The algorithm neither suffers from the data-loading problem nor does it need to store the input data on the quantum computer explicitly. The algorithm was successfully executed on quantum computing devices, as well as on noisy quantum simulators, applied to small datasets. Preliminary empirical results suggest that the algorithm is robust to noise.

Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ $512\times512$ unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected ``FalseFalseTrue" phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Additionally, our findings provide the first explanation for the mysterious phenomenon of weight space ensembles outperforming output space ensembles in OOD. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG) to mitigate the overconfidence problem, which significantly enhances the OOD performance of WiSE-FT.

The manifold hypothesis posits that high-dimensional data often lies on a lower-dimensional manifold and that utilizing this manifold as the target space yields more efficient representations. While numerous traditional manifold-based techniques exist for dimensionality reduction, their application in self-supervised learning has witnessed slow progress. The recent MSimCLR method combines manifold encoding with SimCLR but requires extremely low target encoding dimensions to outperform SimCLR, limiting its applicability. This paper introduces a novel learning paradigm using an unbalanced atlas (UA), capable of surpassing state-of-the-art self-supervised learning approaches. We investigated and engineered the DeepInfomax with an unbalanced atlas (DIM-UA) method by adapting the Spatiotemporal DeepInfomax (ST-DIM) framework to align with our proposed UA paradigm. The efficacy of DIM-UA is demonstrated through training and evaluation on the Atari Annotated RAM Interface (AtariARI) benchmark, a modified version of the Atari 2600 framework that produces annotated image samples for representation learning. The UA paradigm improves existing algorithms significantly as the number of target encoding dimensions grows. For instance, the mean F1 score averaged over categories of DIM-UA is~75% compared to ~70% of ST-DIM when using 16384 hidden units.

Image recognition and generation have long been developed independently of each other. With the recent trend towards general-purpose representation learning, the development of general representations for both recognition and generation tasks is also promoted. However, preliminary attempts mainly focus on generation performance, but are still inferior on recognition tasks. These methods are modeled in the vector-quantized (VQ) space, whereas leading recognition methods use pixels as inputs. Our key insights are twofold: *(1) pixels as inputs are crucial for recognition tasks; (2) VQ tokens as reconstruction targets are beneficial for generation tasks.* These observations motivate us to propose an **Alternating Denoising Diffusion Process (ADDP)** that integrates these two spaces within a single representation learning framework. In each denoising step, our method first decodes pixels from previous VQ tokens, then generates new VQ tokens from the decoded pixels. The diffusion process gradually masks out a portion of VQ tokens to construct the training samples. The learned representations can be used to generate diverse high-fidelity images and also demonstrate excellent transfer performance on recognition tasks. Extensive experiments show that our method achieves competitive performance on unconditional generation, ImageNet classification, COCO detection, and ADE20k segmentation. Importantly, our method represents *the first successful development* of general representations applicable to both generation and dense recognition tasks. Code shall be released.

Recent years have witnessed the great success of graph pre-training for graph representation learning. With hundreds of graph pre-training tasks proposed, integrating knowledge acquired from multiple pre-training tasks has become a popular research topic. In this paper, we identify two important collaborative processes for this topic: (1) select: how to select an optimal task combination from a given task pool based on their compatibility, and (2) weigh: how to weigh the selected tasks based on their importance. While there currently has been a lot of work focused on weighing, comparatively little effort has been devoted to selecting. This paper proposes a novel instance-level framework for integrating multiple graph pre-training tasks, Weigh And Select (WAS), where the two collaborative processes, weighing and selecting, are combined by decoupled siamese networks. Specifically, it first adaptively learns an optimal combination of tasks for each instance from a given task pool, based on which a customized instance-level task weighing strategy is learned. Extensive experiments on 16 graph datasets across node-level and graph-level downstream tasks have demonstrated that by combining a few simple but classical tasks, WAS can achieve comparable performance to other leading counterparts. The code is available at https://github.com/TianyuFan0504/WAS.

Unsupervised pre-training strategies have proven to be highly effective in natural language processing and computer vision. Likewise, unsupervised reinforcement learning (RL) holds the promise of discovering a variety of potentially useful behaviors that can accelerate the learning of a wide array of downstream tasks. Previous unsupervised RL approaches have mainly focused on pure exploration and mutual information skill learning. However, despite the previous attempts, making unsupervised RL truly scalable still remains a major open challenge: pure exploration approaches might struggle in complex environments with large state spaces, where covering every possible transition is infeasible, and mutual information skill learning approaches might completely fail to explore the environment due to the lack of incentives. To make unsupervised RL scalable to complex, high-dimensional environments, we propose a novel unsupervised RL objective, which we call Metric-Aware Abstraction (METRA). Our main idea is, instead of directly covering the entire state space, to only cover a compact latent space $\mathcal{Z}$ that is metrically connected to the state space $\mathcal{S}$ by temporal distances. By learning to move in every direction in the latent space, METRA obtains a tractable set of diverse behaviors that approximately cover the state space, being scalable to high-dimensional environments. Through our experiments in five locomotion and manipulation environments, we demonstrate that METRA can discover a variety of useful behaviors even in complex, pixel-based environments, being the first unsupervised RL method that discovers diverse locomotion behaviors in pixel-based Quadruped and Humanoid. Our code and videos are available at https://seohong.me/projects/metra/

A recent paper by Farina and Pipis (2023) established the existence of uncoupled no-linear-swap regret dynamics with polynomial-time iterations in extensive-form games. The equilibrium points reached by these dynamics, known as linear correlated equilibria, are currently the tightest known relaxation of correlated equilibrium that can be learned in polynomial time in any finite extensive-form game. However, their properties remain vastly unexplored, and their computation is onerous. In this paper, we provide several contributions shedding light on the fundamental nature of linear-swap regret. First, we show a connection between linear deviations and a generalization of communication deviations in which the player can make queries to a ``mediator'' who replies with action recommendations, and, critically, the player is not constrained to match the timing of the game as would be the case for communication deviations. We coin this latter set the untimed communication (UTC) deviations. We show that the UTC deviations coincide precisely with the linear deviations, and therefore that any player minimizing UTC regret also minimizes linear-swap regret. We then leverage this connection to develop state-of-the-art no-regret algorithms for computing linear correlated equilibria, both in theory and in practice. In theory, our algorithms achieve polynomially better per-iteration runtimes; in practice, our algorithms represent the state of the art by several orders of magnitude.