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Deep Learning · Attention Mechanisms

Dongyang Liu, Meina Kan, Shiguang Shan, Xilin CHEN

Vision Transformers (ViTs) are now flourishing in the computer vision area. Despite the remarkable success, ViTs suffer from high computational costs, which greatly hinder their practical usage. Token reduction, which identifies and discards unimportant tokens during forward propagation, has then been proposed to make ViTs more efficient. For token reduction methodologies, a scoring metric is essential to distinguish between important and unimportant tokens. The attention score from the $\mathrm{[CLS]}$ token, which takes the responsibility to aggregate useful information and form the final output, has been established by prior works as an advantageous choice. Nevertheless, whereas the task pressure is applied at the end of the whole model, token reduction generally starts from very early blocks. Given the long distance in between, in the early blocks, $\mathrm{[CLS]}$ token lacks the impetus to gather task-relevant information, causing somewhat arbitrary attention allocation. This phenomenon, in turn, degrades the reliability of token scoring and substantially compromises the effectiveness of token reduction. Inspired by advances in the domain of dynamic neural networks, in this paper, we introduce Multi-Exit Token Reduction (METR), a simple romance between multi-exit architecture and token reduction—two areas previously considered orthogonal. By injecting early task pressure via multi-exit loss, the $\mathrm{[CLS]}$ token is spurred to collect task-related information in even early blocks, thus bolstering the credibility of $\mathrm{[CLS]}$ attention as a token-scoring metric. Additionally, we employ self-distillation to further refine the quality of early supervision. Extensive experiments substantiate both the existence and effectiveness of the newfound chemistry. Comparative assessments also indicate that METR outperforms state-of-the-art token reduction methods on standard benchmarks, especially under aggressive reduction ratios.

Applications · Computer Vision

Zahra Babaiee, Peyman Kiasari, Daniela Rus, Radu Grosu

Recent advances in depthwise-separable convolutional neural networks (DS-CNNs) have led to novel architectures, that surpass the performance of classical CNNs, by a considerable scalability and accuracy margin. This paper reveals another striking property of DS-CNN architectures: discernible and explainable patterns emerge in their trained depthwise convolutional kernels in all layers. Through an extensive analysis of millions of trained filters, with different sizes and from various models, we employed unsupervised clustering with autoencoders, to categorize these filters. Astonishingly, the patterns converged into a few main clusters, each resembling the difference of Gaussian (DoG) functions, and their first and second-order derivatives. Notably, we classify over 95\% and 90\% of the filters from state-of-the-art ConvNeXtV2 and ConvNeXt models, respectively. This finding is not merely a technological curiosity; it echoes the foundational models neuroscientists have long proposed for the vision systems of mammals. Our results thus deepen our understanding of the emergent properties of trained DS-CNNs and provide a bridge between artificial and biological visual processing systems. More broadly, they pave the way for more interpretable and biologically-inspired neural network designs in the future.

Social Aspects · Trustworthy Machine Learning

Sichao Li, Rong Wang, Quanling Deng, Amanda Barnard

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: *a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths*. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

Deep Learning · Generative Models and Autoencoders

Byeonghu Na, Yeongmin Kim, HeeSun Bae, Jung Hyun Lee, Se Jung Kwon, Wanmo Kang, Il-chul Moon

Conditional diffusion models have shown remarkable performance in various generative tasks, but training them requires large-scale datasets that often contain noise in conditional inputs, a.k.a. noisy labels. This noise leads to condition mismatch and quality degradation of generated data. This paper proposes Transition-aware weighted Denoising Score Matching (TDSM) for training conditional diffusion models with noisy labels, which is the first study in the line of diffusion models. The TDSM objective contains a weighted sum of score networks, incorporating instance-wise and time-dependent label transition probabilities. We introduce a transition-aware weight estimator, which leverages a time-dependent noisy-label classifier distinctively customized to the diffusion process. Through experiments across various datasets and noisy label settings, TDSM improves the quality of generated samples aligned with given conditions. Furthermore, our method improves generation performance even on prevalent benchmark datasets, which implies the potential noisy labels and their risk of generative model learning. Finally, we show the improved performance of TDSM on top of conventional noisy label corrections, which empirically proving its contribution as a part of label-noise robust generative models. Our code is available at: https://github.com/byeonghu-na/tdsm.

Deep Learning · Robustness

Mahsa Keramati, Lili Meng, R. Evans

Imbalanced distributions are ubiquitous in real-world data. They create constraints on Deep Neural Networks to represent the minority labels and avoid bias towards majority labels. The extensive body of imbalanced approaches address categorical label spaces but fail to effectively extend to regression problems where the label space is continuous. Local and global correlations among continuous labels provide valuable insights towards effectively modelling relationships in feature space. In this work, we propose ConR, a contrastive regularizer that models global and local label similarities in feature space and prevents the features of minority samples from being collapsed into their majority neighbours. ConR discerns the disagreements between the label space and feature space, and imposesa penalty on these disagreements. ConR minds the continuous nature of label space with two main strategies in a contrastive manner: incorrect proximities are penalized proportionate to the label similarities and the correct ones are encouraged to model local similarities. ConR consolidates essential considerations into a generic, easy-to-integrate, and efficient method that effectively addresses deep imbalanced regression. Moreover, ConR is orthogonal to existing approaches and smoothly extends to uni- and multi-dimensional label spaces. Our comprehensive experiments show that ConR significantly boosts the performance of all the state-of-the-art methods on four large-scale deep imbalanced regression benchmarks.

Qiuhao Zeng, Changjian Shui, Long-Kai Huang, Peng Liu, Xi Chen, Charles Ling, Boyu Wang

Distribution shifts over time are common in real-world machine-learning applications. This scenario is formulated as Evolving Domain Generalization (EDG), where models aim to generalize well to unseen target domains in a time-varying system by learning and leveraging the underlying evolving pattern of the distribution shifts across domains. However, existing methods encounter challenges due to the limited number of timestamps (every domain corresponds to a timestamp) in EDG datasets, leading to difficulties in capturing evolving dynamics and risking overfitting to the sparse timestamps, which hampers their generalization and adaptability to new tasks. To address this limitation, we propose a novel approach SDE-EDG that collects the Infinitely Fined-Grid Evolving Trajectory (IFGET) of the data distribution with continuous-interpolated samples to bridge temporal gaps (intervals between two successive timestamps). Furthermore, by leveraging the inherent capacity of Stochastic Differential Equations (SDEs) to capture continuous trajectories, we propose their use to align SDE-modeled trajectories with IFGET across domains, thus enabling the capture of evolving distribution trends. We evaluate our approach on several benchmark datasets and demonstrate that it can achieve superior performance compared to existing state-of-the-art methods.

Deep Learning · Large Language Models

Jannik Kossen, Yarin Gal, Tom Rainforth

The predictions of Large Language Models (LLMs) on downstream tasks often improve significantly when including examples of the input–label relationship in the context. However, there is currently no consensus about how this in-context learning (ICL) ability of LLMs works. For example, while Xie et al. (2022) liken ICL to a general-purpose learning algorithm, Min et al. (2022b) argue ICL does not even learn label relationships from in-context examples. In this paper, we provide novel insights into how ICL leverages label information, revealing both capabilities and limitations. To ensure we obtain a comprehensive picture of ICL behavior, we study probabilistic aspects of ICL predictions and thoroughly examine the dynamics of ICL as more examples are provided. Our experiments show that ICL predictions almost always depend on in-context labels and that ICL can learn truly novel tasks in-context. However, we also find that ICL struggles to fully overcome prediction preferences acquired from pre-training data and, further, that ICL does not consider all in-context information equally.

Xuefeng Liu, Takuma Yoneda, Rick Stevens, Matthew Walter, Yuxin Chen

While reinforcement learning (RL) has shown promising performance, its sample complexity continues to be a substantial hurdle, restricting its broader application across a variety of domains. Imitation learning (IL) utilizes oracles to improve sample efficiency, yet it is often constrained by the quality of the oracles deployed. To address the demand for robust policy improvement in real-world scenarios, we introduce a novel algorithm, Robust Policy Improvement (RPI), which actively interleaves between IL and RL based on an online estimate of their performance. RPI draws on the strengths of IL, using oracle queries to facilitate exploration—an aspect that is notably challenging in sparse-reward RL—particularly during the early stages of learning. As learning unfolds, RPI gradually transitions to RL, effectively treating the learned policy as an improved oracle. This algorithm is capable of learning from and improving upon a diverse set of black-box oracles. Integral to RPI are Robust Active Policy Selection (RAPS) and Robust Policy Gradient (RPG), both of which reason over whether to perform state-wise imitation from the oracles or learn from its own value function when the learner’s performance surpasses that of the oracles in a specific state. Empirical evaluations and theoretical analysis validate that RPI excels in comparison to existing state-of-the-art methodologies, demonstrating superior performance across various benchmark domains.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Yichen Wu, Long-Kai Huang, Renzhen Wang, Deyu Meng, Ying Wei

Regularization-based methods have so far been among the *de facto* choices for continual learning. Recent theoretical studies have revealed that these methods all boil down to relying on the Hessian matrix approximation of model weights. However, these methods suffer from suboptimal trade-offs between knowledge transfer and forgetting due to fixed and unchanging Hessian estimations during training.Another seemingly parallel strand of Meta-Continual Learning (Meta-CL) algorithms enforces alignment between gradients of previous tasks and that of the current task. In this work we revisit Meta-CL and for the first time bridge it with regularization-based methods. Concretely, Meta-CL implicitly approximates Hessian in an online manner, which enjoys the benefits of timely adaptation but meantime suffers from high variance induced by random memory buffer sampling. We are thus highly motivated to combine the best of both worlds, through the proposal of Variance Reduced Meta-CL (VR-MCL) to achieve both timely and accurate Hessian approximation.Through comprehensive experiments across three datasets and various settings, we consistently observe that VR-MCL outperforms other SOTA methods, which further validates the effectiveness of VR-MCL.

Deep Learning · Algorithms

Yaoyu Zhu, Jianhao Ding, Tiejun Huang, Xiaodong Xie, Zhaofei Yu

Spiking neural networks (SNNs), attributed to the binary, event-driven nature of spikes, possess heightened biological plausibility and enhanced energy efficiency on neuromorphic hardware compared to analog neural networks (ANNs). Mainstream SNN training schemes apply backpropagation-through-time (BPTT) with surrogate gradients to replace the non-differentiable spike emitting process during backpropagation. While achieving competitive performance, the requirement for storing intermediate information at all time-steps incurs higher memory consumption and fails to fulfill the online property crucial to biological brains. Our work focuses on online training techniques, aiming for memory efficiency while preserving biological plausibility. The limitation of not having access to future information in early time steps in online training has constrained previous efforts to incorporate advantageous modules such as batch normalization. To address this problem, we propose Online Spiking Renormalization (OSR) to ensure consistent parameters between testing and training, and Online Threshold Stabilizer (OTS) to stabilize neuron firing rates across time steps. Furthermore, we design a novel online approach to compute the sample mean and variance over time for OSR. Experiments conducted on various datasets demonstrate the proposed method's superior performance among SNN online training algorithms.Our code is available at https://github.com/zhuyaoyu/SNN-online-normalization.

Reinforcement Learning · Multi-agent

Milad Aghajohari, Juan Duque, Timotheus Cooijmans, Aaron Courville

In various real-world scenarios, interactions among agents often resemble the dynamics of general-sum games, where each agent strives to optimize its own utility. Despite the ubiquitous relevance of such settings, decentralized machine learning algorithms have struggled to find equilibria that maximize individual utility while preserving social welfare. In this paper we introduce Learning with Opponent Q-Learning Awareness (LOQA) , a novel reinforcement learning algorithm tailored to optimizing an agent's individual utility while fostering cooperation among adversaries in partially competitive environments. LOQA assumes that each agent samples actions proportionally to their action-value function Q. Experimental results demonstrate the effectiveness of LOQA at achieving state-of-the-art performance in benchmark scenarios such as the Iterated Prisoner's Dilemma and the Coin Game. LOQA achieves these outcomes with a significantly reduced computational footprint compared to previous works, making it a promising approach for practical multi-agent applications.

Theory · Domain Adaptation and Transfer Learning

Haopeng Sun, Lumin Xu, Sheng Jin, Ping Luo, Chen Qian, Wentao Liu

Test-time adaptation (TTA) aims to adapt a pre-trained model from a source domain to a target domain only using online unlabeled target data during testing, without accessing to the source data or modifying the original training process. Among the various TTA methods, pseudo-labeling has gained popularity. However, the presence of incorrect pseudo-labels can hinder the effectiveness of target domain adaptation. To overcome this challenge, we propose a novel TTA method, called PROtotype GRAph Model based pseudo-label learning (PROGRAM). PROGRAM consists of two key components: (1) Prototype Graph Model (PGM) for reliable pseudo-label generation; (2) Robust Self-Training (RST) for test-time adaptation with noisy pseudo-labels. PGM constructs the graph using prototypes and test samples, facilitating effective message passing among them to generate more reliable pseudo-labels. RST combines the advantages of consistency regularization and pseudo-labeling to achieve robust target domain adaptation in the presence of noisy pseudo-labels. Our proposed PROGRAM can be easily integrated into existing baselines, resulting in consistent improvement. Extensive experiments show that our PROGRAM outperforms the existing TTA methods on multiple domain generalization and image corruption benchmarks.

Deep Learning · Generative Models and Autoencoders

Suttisak Wisadwongsa, Worameth Chinchuthakun, Pramook Khungurn, Amit Raj, Supasorn Suwajanakorn

Despite the remarkable success of diffusion models in image generation, slow sampling remains a persistent issue. To accelerate the sampling process, prior studies have reformulated diffusion sampling as an ODE/SDE and introduced higher-order numerical methods. However, these methods often produce divergence artifacts, especially with a low number of sampling steps, which limits the achievable acceleration. In this paper, we investigate the potential causes of these artifacts and suggest that the small stability regions of these methods could be the principal cause. To address this issue, we propose two novel techniques. The first technique involves the incorporation of Heavy Ball (HB) momentum, a well-known technique for improving optimization, into existing diffusion numerical methods to expand their stability regions. We also prove that the resulting methods have first-order convergence. The second technique, called Generalized Heavy Ball (GHVB), constructs a new high-order method that offers a variable trade-off between accuracy and artifact suppression. Experimental results show that our techniques are highly effective in reducing artifacts and improving image quality, surpassing state-of-the-art diffusion solvers on both pixel-based and latent-based diffusion models for low-step sampling. Our research provides novel insights into the design of numerical methods for future diffusion work.

Deep Learning · Other Representation Learning

Pratyush Maini, Sachin Goyal, Zachary Lipton, J Kolter, Aditi Raghunathan

Large web-crawled multimodal datasets have powered a slew of new methods for learning general-purpose visual representations, advancing the state of the art in computer vision and revolutionizing zero- and few-shot recognition. One crucial decision facing practitioners is how, if at all, to curate these ever-larger datasets. For example, the creators of the LAION-5B dataset chose to retain only image-caption pairs whose CLIP similarity score exceeded a designated threshold. In this paper, we propose a new state-of-the-art data filtering approach motivated by our observation that nearly $40\%$ of LAION's images contain text that overlaps significantly with the caption. Intuitively, such data could be wasteful as it incentivizes models to perform optical character recognition rather than learning visual features. However, naively removing all such data could also be wasteful, as it throws away images that contain visual features (in addition to overlapping text). Our simple and scalable approach, T-MARS (Text Masking and Re-Scoring), filters out only those pairs where the text dominates the remaining visual features---by first masking out the text and then filtering out those with a low CLIP similarity score of the masked image with original captions. Experimentally, T-MARS is the top ranked approach on Imagenet at ``medium scale'' of DataComp (a data filtering benchmark), and outperforms CLIP filtering by a margin of $6.5\%$ on ImageNet and $4.7\%$ on VTAB. Additionally, we show that the accuracy gains enjoyed by T-MARS linearly increase as data and compute are scaled exponentially.

Deep Learning · Algorithms

Lukas Muttenthaler, Robert A Vandermeulen, Qiuyi (Richard) Zhang, Thomas Unterthiner, Klaus R Muller

Model overconfidence and poor calibration are common in machine learning and difficult to account for when applying standard empirical risk minimization. In this work, we propose a novel method to alleviate these problems that we call odd-$k$-out learning (OKO), which minimizes the cross-entropy error for sets rather than for single examples. This naturally allows the model to capture correlations across data examples and achieves both better accuracy and calibration, especially in limited training data and class-imbalanced regimes. Perhaps surprisingly, OKO often yields better calibration even when training with hard labels and dropping any additional calibration parameter tuning, such as temperature scaling. We demonstrate this in extensive experimental analyses and provide a mathematical theory to interpret our findings. We emphasize that OKO is a general framework that can be easily adapted to many settings and a trained model can be applied to single examples at inference time, without significant run-time overhead or architecture changes.

Wuyang Chen, Junru Wu, Zhangyang Wang, Boris Hanin

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs of principles or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

Miscellaneous Aspects of Machine Learning · Representation Learning

Thong Thanh Nguyen, Xiaobao Wu, Xinshuai Dong, Cong-Duy Nguyen, See-Kiong Ng, Anh Tuan Luu

Recent representation learning approaches enhance neural topic models by optimizing the weighted linear combination of the evidence lower bound (ELBO) of the log-likelihood and the contrastive learning objective that contrasts pairs of input documents. However, document-level contrastive learning might capture low-level mutual information, such as word ratio, which disturbs topic modeling. Moreover, there is a potential conflict between the ELBO loss that memorizes input details for better reconstruction quality, and the contrastive loss which attempts to learn topic representations that generalize among input documents. To address these issues, we first introduce a novel contrastive learning method oriented towards sets of topic vectors to capture useful semantics that are shared among a set of input documents. Secondly, we explicitly cast contrastive topic modeling as a gradient-based multi-objective optimization problem, with the goal of achieving a Pareto stationary solution that balances the trade-off between the ELBO and the contrastive objective. Extensive experiments demonstrate that our framework consistently produces higher-performing neural topic models in terms of topic coherence, topic diversity, and downstream performance.

Deep Learning · Self-Supervised Learning

Johnathan Xie, Yoonho Lee, Annie Chen, Chelsea Finn

Self-supervised learning excels in learning representations from large amounts of unlabeled data, demonstrating success across multiple data modalities. Yet, extending self-supervised learning to new modalities is non-trivial because the specifics of existing methods are tailored to each domain, such as domain-specific augmentations which reflect the invariances in the target task. While masked modeling is promising as a domain-agnostic framework for self-supervised learning because it does not rely on input augmentations, its mask sampling procedure remains domain-specific. We present Self-guided Masked Autoencoders (SMA), a fully domain-agnostic masked modeling method. SMA trains an attention based model using a masked modeling objective, by learning masks to sample without any domain-specific assumptions. We evaluate SMA on three self-supervised learning benchmarks in protein biology, chemical property prediction, and particle physics. We find SMA is capable of learning representations without domain-specific knowledge and achieves state-of-the-art performance on these three benchmarks.

Theory · Online Learning and Bandits

Krishna Acharya, Eshwar Ram Arunachaleswaran, Sampath Kannan, Aaron Roth, Juba Ziani

We study the problem of online prediction, in which at each time step $t \in \{1,2, \cdots T\}$, an individual $x_t$ arrives, whose label we must predict. Each individual is associated with various groups, defined based on their features such as age, sex, race etc., which may intersect. Our goal is to make predictions that have regret guarantees not just overall but also simultaneously on each sub-sequence comprised of the members of any single group. Previous work such as [Blum & Lykouris][1] and [Lee et al][2] provide attractive regret guarantees for these problems; however, these are computationally intractable on large model classes (e.g., the set of all linear models, as used in linear regression). We show that a simple modification of the sleeping experts technique of [Blum & Lykouris][1] yields an efficient *reduction* to the well-understood problem of obtaining diminishing external regret *absent group considerations*. Our approach gives similar regret guarantees compared to [Blum & Lykouris][1]; however, we run in time linear in the number of groups, and are oracle-efficient in the hypothesis class. This in particular implies that our algorithm is efficient whenever the number of groups is polynomially bounded and the external-regret problem can be solved efficiently, an improvement on [Blum & Lykouris][1]'s stronger condition that the model class must be small. Our approach can handle online linear regression and online combinatorial optimization problems like online shortest paths. Beyond providing theoretical regret bounds, we evaluate this algorithm with an extensive set of experiments on synthetic data and on two real data sets --- Medical costs and the Adult income dataset, both instantiated with intersecting groups defined in terms of race, sex, and other demographic characteristics. We find that uniformly across groups, our algorithm gives substantial error improvements compared to running a standard online linear regression algorithm with no groupwise regret guarantees.

Reinforcement Learning · Deep RL

Yecheng Jason Ma, William Liang, Guanzhi Wang, De-An Huang, Osbert Bastani, Dinesh Jayaraman, Yuke Zhu, Jim Fan, anima anandkumar

Large Language Models (LLMs) have excelled as high-level semantic planners for sequential decision-making tasks. However, harnessing them to learn complex low-level manipulation tasks, such as dexterous pen spinning, remains an open problem. We bridge this fundamental gap and present Eureka, a human-level reward design algorithm powered by LLMs. Eureka exploits the remarkable zero-shot generation, code-writing, and in-context improvement capabilities of state-of-the-art LLMs, such as GPT-4, to perform evolutionary optimization over reward code. The resulting rewards can then be used to acquire complex skills via reinforcement learning. Without any task-specific prompting or pre-defined reward templates, Eureka generates reward functions that outperform expert human-engineered rewards. In a diverse suite of 29 open-source RL environments that include 10 distinct robot morphologies, Eureka outperforms human experts on 83% of the tasks, leading to an average normalized improvement of 52%. The generality of Eureka also enables a new gradient-free in-context learning approach to reinforcement learning from human feedback (RLHF), readily incorporating human inputs to improve the quality and the safety of the generated rewards without model updating. Finally, using Eureka rewards in a curriculum learning setting, we demonstrate for the first time, a simulated Shadow Hand capable of performing pen spinning tricks, adeptly manipulating a pen in circles at rapid speed.