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Deep Learning · Algorithms

Satoki Ishikawa, Ryo Karakida

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parametrization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parametrization achieves higher generalization performance in feature learning.In particular, it enables us to transfer the hyperparameters across models with different widths.

Optimization · Learning for Optimization

Xinyan Chen, Yang Li, Runzhong Wang, Junchi Yan

The Boolean satisfiability problem (SAT) stands as a canonical NP-complete task. In particular, the scarcity of real-world SAT instances and their usefulness for tuning SAT solvers underscore the necessity for effective and efficient ways of hard instance generation, whereas existing methods either struggle to maintain plausible hardness or suffer from limited applicability. Different from the typical construction-based methods, this paper introduces an adaptive and efficient graph interpolation approach that in place modifies the raw structure of graph-represented SAT instance by replacing it with a counterpart from another instance. Specifically, it involves a two-stage matching and mixing pipeline. The matching aims to find a correspondence map of literal nodes from two instance graphs via learned features from a matching network; while the mixing stage involves iteratively exchanging clause pairs with the highest correspondence scores until a specified replacement ratio is achieved. We further show that under our matching-mixing framework, moderate randomness can avoid hardness degradation of instances by introducing Gumbel noise. Experimental results show the superiority of our method with both resemblance in structure and hardness, and general applicability.

Deep Learning · Generative Models and Autoencoders

Xiangming Zhu, Huayu Deng, Haochen Yuan, Yunbo Wang, Xiaokang Yang

We introduce latent intuitive physics, a transfer learning framework for physics simulation that can infer hidden properties of fluids from a single 3D video and simulate the observed fluid in novel scenes. Our key insight is to use latent features drawn from a learnable prior distribution conditioned on the underlying particle states to capture the invisible and complex physical properties. To achieve this, we train a parametrized prior learner given visual observations to approximate the visual posterior of inverse graphics, and both the particle states and the visual posterior are obtained from a learned neural renderer. The converged prior learner is embedded in our probabilistic physics engine, allowing us to perform novel simulations on unseen geometries, boundaries, and dynamics without knowledge of the true physical parameters. We validate our model in three ways: (i) novel scene simulation with the learned visual-world physics, (ii) future prediction of the observed fluid dynamics, and (iii) supervised particle simulation. Our model demonstrates strong performance in all three tasks.

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

Wei-Hong Li, Steven McDonagh, Ales Leonardis, Hakan Bilen

Deep neural networks have become the standard solution for designing models that can perform multiple dense computer vision tasks such as depth estimation and semantic segmentation thanks to their ability to capture complex correlations in high dimensional feature space across tasks. However, the cross-task correlations that are learned in the unstructured feature space can be extremely noisy and susceptible to overfitting, consequently hurting performance. We propose to address this problem by introducing a structured 3D-aware regularizer which interfaces multiple tasks through the projection of features extracted from an image encoder to a shared 3D feature space and decodes them into their task output space through differentiable rendering. We show that the proposed method is architecture agnostic and can be plugged into various prior multi-task backbones to improve their performance; as we evidence using standard benchmarks NYUv2 and PASCAL-Context.

Deep Learning · Self-Supervised Learning

Sarthak Yadav, Sergios Theodoridis, Lars Kai Hansen, Zheng-Hua Tan

In this work, we propose a Multi-Window Masked Autoencoder (MW-MAE) fitted with a novel Multi-Window Multi-Head Attention (MW-MHA) module that facilitates the modelling of local-global interactions in every decoder transformer block through attention heads of several distinct local and global windows. Empirical results on ten downstream audio tasks show that MW-MAEs consistently outperform standard MAEs in overall performance and learn better general-purpose audio representations, along with demonstrating considerably better scaling characteristics. Investigating attention distances and entropies reveals that MW-MAE encoders learn heads with broader local and global attention. Analyzing attention head feature representations through Projection Weighted Canonical Correlation Analysis (PWCCA) shows that attention heads with the same window sizes across the decoder layers of the MW-MAE learn correlated feature representations which enables each block to independently capture local and global information, leading to a decoupled decoder feature hierarchy.

Applications · Computer Vision

Xinyu Huang, Youcai Zhang, Jinyu Ma, Weiwei Tian, Rui Feng, Yuejie Zhang, Yaqian Li, Yandong Guo, Lei Zhang

This paper presents Tag2Text, a vision language pre-training (VLP) framework, which introduces image tagging into vision-language models to guide the learning of visual-linguistic features. In contrast to prior works which utilize object tags either manually labeled or automatically detected with a limited detector, our approach utilizes tags parsed from its paired text to learn an image tagger and meanwhile provides guidance to vision-language models. Given that, Tag2Text can utilize large-scale annotation-free image tags in accordance with image-text pairs, and provides more diverse tag categories beyond objects. Strikingly, Tag2Text showcases the ability of a foundational image tagging model, with superior zero-shot performance even comparable to full supervision manner. Moreover, by leveraging tagging guidance, Tag2Text effectively enhances the performance of vision-language models on both generation-based and alignment-based tasks. Across a wide range of downstream benchmarks, Tag2Text achieves state-of-the-art results with similar model sizes and data scales, demonstrating the efficacy of the proposed tagging guidance.

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

Minh Hoang, Carl Kingsford

We tackle the problem of meta-learning across heterogenous tasks. This problem seeks to extract and generalize transferable meta-knowledge through streaming task sets from a multi-modal task distribution. The extracted meta-knowledge can be used to create predictors for new tasks using a small number of labeled samples. Most meta-learning methods assume a homogeneous task distribution, thus limiting their generalization capacity when handling multi-modal task distributions. Recent work has shown that the generalization of meta-learning depends on the similarity of tasks in the training distribution, and this has led to many clustering approaches that aim to detect homogeneous clusters of tasks. However, these methods suffer from a significant increase in parameter complexity. To overcome this weakness, we propose a new heterogeneous meta-learning strategy that efficiently captures the multi-modality of the task distribution via modulating the routing between convolution channels in the network, instead of directly modulating the network weights. This new mechanism can be cast as a permutation learning problem. We further introduce a novel neural permutation layer based on the classical Benes routing network, which has sub-quadratic parameter complexity in the total number of channels, as compared to the quadratic complexity of the state-of-the-art Gumbel-Sinkhorn layer. We demonstrate our approach on various multi-modal meta-learning benchmarks, showing that our framework outperforms previous methods in both generalization accuracy and convergence speed.

Applications · Language, Speech and Dialog

Duong Le, Yang Chen, Alan Ritter, Wei Xu

Zero-shot cross-lingual transfer utilizing multilingual LLMs has become a popular learning paradigm for low-resource languages with no labeled training data. However, for NLP tasks that involve fine-grained predictions on words and phrases, the performance of zero-shot cross-lingual transfer learning lags far behind supervised fine-tuning methods. Therefore, it is common to exploit translation and label projection to further improve the performance by (1) translating training data that is available in a high-resource language (e.g., English) together with the gold labels into low-resource languages, and/or (2) translating test data in low-resource languages to a high-source language to run inference on, then projecting the predicted span-level labels back onto the original test data. However, state-of-the-art marker-based label projection methods suffer from translation quality degradation due to the extra label markers injected in the input to the translation model. In this work, we explore a new direction that leverages constrained decoding for label projection to overcome the aforementioned issues. Our new method not only can preserve the quality of translated texts but also has the versatility of being applicable to both translating training and translating test data strategies. This versatility is crucial as our experiments reveal that translating test data can lead to a considerable boost in performance compared to translating only training data. We evaluate on two cross-lingual transfer tasks, namely Named Entity Recognition and Event Argument Extraction, spanning 20 languages. The results demonstrate that our approach outperforms the state-of-the-art marker-based method by a large margin and also shows better performance than other label projection methods that rely on external word alignment.

Theory · Learning Theory

Noam Levi, Alon Beck, Yohai Bar-Sinai

Grokking is the intriguing phenomenon where a model learns to generalize long after it has fit the training data. We show both analytically and numerically that grokking can surprisingly occur in linear networks performing linear tasks in a simple teacher-student setup. In this setting, the full training dynamics is derived in terms of the expected training and generalization data covariance matrix. We present exact predictions on how the grokking time depends on input and output dimensionality, train sample size, regularization, and network parameters initialization. The key findings are that late generalization increase may not imply a transition from "memorization" to "understanding", but can simply be an artifact of the accuracy measure. We provide empirical verification for these propositions, along with preliminary results indicating that some predictions also hold for deeper networks, with non-linear activations.

Applications · Health

Pengcheng Jiang, Cao Xiao, Adam Cross, Jimeng Sun

Clinical predictive models often rely on patients’ electronic health records (EHR), but integrating medical knowledge to enhance predictions and decision-making is challenging. This is because personalized predictions require personalized knowledgegraphs (KGs), which are difficult to generate from patient EHR data. To address this, we propose GraphCare, an open-world framework that uses external KGs to improve EHR-based predictions. Our method extracts knowledge from large language models (LLMs) and external biomedical KGs to build patient-specific KGs, which are then used to train our proposed Bi-attention AugmenTed(BAT) graph neural network (GNN) for healthcare predictions. On two public datasets, MIMIC-III and MIMIC-IV, GraphCare surpasses baselines in four vital healthcare prediction tasks: mortality, readmission, length of stay (LOS), and drug recommendation. On MIMIC-III, it boosts AUROC by 17.6% and 6.6% for mortality and readmission, and F1-score by 7.9% and 10.8% for LOS and drug recommendation, respectively. Notably, GraphCare demonstrates a substantial edge in scenarios with limited data availability. Our findings highlight the potential of using external KGs in healthcare prediction tasks and demonstrate the promise of GraphCare in generating personalized KGs for promoting personalized medicine.

Deep Learning · Generative Models and Autoencoders

YEFEI HE, Jing Liu, Weijia Wu, Hong Zhou, Bohan Zhuang

Diffusion models have demonstrated remarkable capabilities in image synthesis and related generative tasks. Nevertheless, their practicality for low-latency real-world applications is constrained by substantial computational costs and latency issues. Quantization is a dominant way to compress and accelerate diffusion models, where post-training quantization (PTQ) and quantization-aware training (QAT) are two main approaches, each bearing its own properties. While PTQ exhibits efficiency in terms of both time and data usage, it may lead to diminished performance in low bit-width settings. On the other hand, QAT can help alleviate performance degradation but comes with substantial demands on computational and data resources. To capitalize on the advantages while avoiding their respective drawbacks, we introduce a data-free, quantization-aware and parameter-efficient fine-tuning framework for low-bit diffusion models, dubbed EfficientDM, to achieve QAT-level performance with PTQ-like efficiency. Specifically, we propose a quantization-aware variant of the low-rank adapter (QALoRA) that can be merged with model weights and jointly quantized to low bit-width. The fine-tuning process distills the denoising capabilities of the full-precision model into its quantized counterpart, eliminating the requirement for training data. To further enhance performance, we introduce scale-aware optimization to address ineffective learning of QALoRA due to variations in weight quantization scales across different layers. We also employ temporal learned step-size quantization to handle notable variations in activation distributions across denoising steps. Extensive experimental results demonstrate that our method significantly outperforms previous PTQ-based diffusion models while maintaining similar time and data efficiency. Specifically, there is only a marginal $0.05$ sFID increase when quantizing both weights and activations of LDM-4 to 4-bit on ImageNet $256\times256$. Compared to QAT-based methods, our EfficientDM also boasts a $16.2\times$ faster quantization speed with comparable generation quality, rendering it a compelling choice for practical applications.

Deep Learning · Generative Models and Autoencoders

Haoyu Lu, Guoxing Yang, Nanyi Fei, Yuqi Huo, Zhiwu Lu, Ping Luo, Mingyu Ding

This work introduces Video Diffusion Transformer (VDT), which pioneers the use of transformers in diffusion-based video generation.It features transformer blocks with modularized temporal and spatial attention modules to leverage the rich spatial-temporal representation inherited in transformers. Additionally, we propose a unified spatial-temporal mask modeling mechanism, seamlessly integrated with the model, to cater to diverse video generation scenarios.VDT offers several appealing benefits. (1) It excels at capturing temporal dependencies to produce temporally consistent video frames and even simulate the physics and dynamics of 3D objects over time. (2) It facilitates flexible conditioning information, e.g., simple concatenation in the token space, effectively unifying different token lengths and modalities. (3) Pairing with our proposed spatial-temporal mask modeling mechanism, it becomes a general-purpose video diffuser for harnessing a range of tasks, including unconditional generation, video prediction, interpolation, animation, and completion, etc. Extensive experiments on these tasks spanning various scenarios, including autonomous driving, natural weather, human action, and physics-based simulation, demonstrate the effectiveness of VDT. Moreover, we provide a comprehensive study on the capabilities of VDT in capturing accurate temporal dependencies, handling conditioning information, and the spatial-temporal mask modeling mechanism. Additionally, we present comprehensive studies on how VDT handles conditioning information with the mask modeling mechanism, which we believe will benefit future research and advance the field. Codes and models are available at the https://VDT-2023.github.io.

Deep Learning · Robustness

Javier Rando, Florian Tramer

Reinforcement Learning from Human Feedback (RLHF) is used to align large language models to produce helpful and harmless responses. Yet, these models can be jailbroken by finding adversarial prompts that revert the model to its unaligned behavior. In this paper, we consider a new threat where an attacker poisons the RLHF data to embed a jailbreak trigger into the model as a backdoor. The trigger then acts like a universal sudo command, enabling arbitrary harmful responses without the need to search for an adversarial prompt. Universal jailbreak backdoors are much more powerful than previously studied backdoors on language models, and we find they are significantly harder to plant using common backdoor attack techniques. We investigate the design decisions in RLHF that contribute to its purported robustness, and release a benchmark of poisoned models to stimulate future research on universal jailbreak backdoors.

Deep Learning · Self-Supervised Learning

Shikun Feng, Minghao Li, Yinjun JIA, Wei-Ying Ma, Yanyan Lan

The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional computationally intensive methods, but resulting in poor generalization due to limited supervised data. In this paper, we propose to learn protein-ligand binding representation in a self-supervised learning manner. Different from existing pre-training approaches which treat proteins and ligands individually, we emphasize to discern the intricate binding patterns from fine-grained interactions. Specifically, this self-supervised learning problem is formulated as a prediction of the conclusive binding complex structure given a pocket and ligand with a Transformer based interaction module, which naturally emulates the binding process. To ensure the representation of rich binding information, we introduce two pre-training tasks, i.e. atomic pairwise distance map prediction and mask ligand reconstruction, which comprehensively model the fine-grained interactions from both structure and feature space. Extensive experiments have demonstrated the superiority of our method across various binding tasks, including protein-ligand affinity prediction, virtual screening and protein-ligand docking.

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

Jorg Bornschein, Alexandre Galashov, Ross Hemsley, Amal Rannen-Triki, Yutian Chen, Arslan Chaudhry, Owen He, Arthur Douillard, Massimo Caccia, Qixuan Feng 等

A shared goal of several machine learning communities like continual learning, meta-learning and transfer learning, is to design algorithms and models that efficiently and robustly adapt to unseen tasks. An even more ambitious goal is to build models that never stop adapting, and that become increasingly more efficient through time by suitably transferring the accrued knowledge. Beyond the study of the actual learning algorithm and model architecture, there are several hurdles towards our quest to build such models, such as the choice of learning protocol, metric of success and data needed to validate research hypotheses. In this work, we introduce the Never-Ending VIsual-classification Stream (NEVIS'22), a benchmark consisting of a stream of over 100 visual classification tasks, sorted chronologically and extracted from papers sampled uniformly from computer vision proceedings spanning the last three decades. The resulting stream reflects what the research community thought was meaningful at any point in time, and it serves as an ideal test bed to assess how well models can adapt to new tasks, and do so better and more efficiently as time goes by. Despite being limited to classification, the resulting stream has a rich diversity of tasks from OCR, to texture analysis, scene recognition, and so forth. The diversity is also reflected in the wide range of dataset sizes, spanning over four orders of magnitude. Overall, NEVIS'22 poses an unprecedented challenge for current sequential learning approaches due to the scale and diversity of tasks, yet with a low entry barrier as it is limited to a single modality and well understood supervised learning problems. Moreover, we provide a reference implementation including strong baselines and an evaluation protocol to compare methods in terms of their trade-off between accuracy and compute. We hope that NEVIS'22 can be useful to researchers working on continual learning, meta-learning, AutoML and more generally sequential learning, and help these communities join forces towards more robust models that efficiently adapt to a never ending stream of data.

Miscellaneous Aspects of Machine Learning · Online Learning, Active Learning and Bandits

Diyang Li, Charles Ling, Zhiqiang Xu, Huan Xiong, Bin Gu

Generalized Linear Models (GLMs) encompass a wide array of regression and classification models, where prediction is a function of a linear combination of the input variables. Often in real-world scenarios, a number of observations would be added into or removed from the existing training dataset, necessitating the development of learning systems that can efficiently train optimal models with varying observations in an online (sequential) manner instead of retraining from scratch. Despite the significance of data-varying scenarios, most existing approaches to sparse GLMs concentrate on offline batch updates, leaving online solutions largely underexplored. In this work, we present the first algorithm without compromising accuracy for GLMs regularized by sparsity-enforcing penalties trained on varying observations. Our methodology is capable of handling the addition and deletion of observations simultaneously, while adaptively updating data-dependent regularization parameters to ensure the best statistical performance. Specifically, we recast sparse GLMs as a bilevel optimization objective upon varying observations and characterize it as an explicit gradient flow in the underlying space for the inner and outer subproblems we are optimizing over, respectively. We further derive a set of rules to ensure a proper transition at regions of non-smoothness, and establish the guarantees of theoretical consistency and finite convergence. Encouraging results are exhibited on real-world benchmarks.

Haoyu Lu, Yuqi Huo, Guoxing Yang, Zhiwu Lu, Wei Zhan, Masayoshi Tomizuka, Mingyu Ding

Large-scale vision-language pre-trained models have shown promising transferability to various downstream tasks. As the size of these foundation models and the number of downstream tasks grow, the standard full fine-tuning paradigm becomes unsustainable due to heavy computational and storage costs. This paper proposes UniAdapter, which unifies unimodal and multimodal adapters for parameter-efficient cross-modal adaptation on pre-trained vision-language models. Specifically, adapters are distributed to different modalities and their interactions, with the total number of tunable parameters reduced by partial weight sharing. The unified and knowledge-sharing design enables powerful cross-modal representations that can benefit various downstream tasks, requiring only 1.0%-2.0% tunable parameters of the pre-trained model. Extensive experiments on 7 cross-modal downstream benchmarks (including video-text retrieval, image-text retrieval, VideoQA, VQA and Caption) show that in most cases, UniAdapter not only outperforms the state-of-the-arts, but even beats the full fine-tuning strategy. Particularly, on the MSRVTT retrieval task, UniAdapter achieves 49.7% recall@1 with 2.2% model parameters, outperforming the latest competitors by 2.0%. The code and models are available at https://github.com/RERV/UniAdapter.

Miscellaneous Aspects of Machine Learning · Online Learning, Active Learning and Bandits

Grzegorz Rypeść, Sebastian Cygert, Valeriya Khan, Tomasz Trzcinski, Bartosz Zieliński, Bartłomiej Twardowski

Class-incremental learning is becoming more popular as it helps models widen their applicability while not forgetting what they already know. A trend in this area is to use a mixture-of-expert technique, where different models work together to solve the task. However, the experts are usually trained all at once using whole task data, which makes them all prone to forgetting and increasing computational burden. To address this limitation, we introduce a novel approach named SEED. SEED selects only one, the most optimal expert for a considered task, and uses data from this task to fine-tune only this expert. For this purpose, each expert represents each class with a Gaussian distribution, and the optimal expert is selected based on the similarity of those distributions. Consequently, SEED increases diversity and heterogeneity within the experts while maintaining the high stability of this ensemble method. The extensive experiments demonstrate that SEED achieves state-of-the-art performance in exemplar-free settings across various scenarios, showing the potential of expert diversification through data in continual learning.

Optimization · Large Scale, Parallel and Distributed

Yuan Gao, Rustem Islamov, Sebastian Stich

Modern distributed training relies heavily on communication compression to reduce the communication overhead. In this work, we study algorithms employing a popular class of contractive compressors in order to reduce communication overhead. However, the naive implementation often leads to unstable convergence or even exponential divergence due to the compression bias. Error Compensation (EC) is an extremely popular mechanism to mitigate the aforementioned issues during the training of models enhanced by contractive compression operators. Compared to the effectiveness of EC in the data homogeneous regime, the understanding of the practicality and theoretical foundations of EC in the data heterogeneous regime is limited. Existing convergence analyses typically rely on strong assumptions such as bounded gradients, bounded data heterogeneity, or large batch accesses, which are often infeasible in modern Machine Learning Applications. We resolve the majority of current issues by proposing EControl, a novel mechanism that can regulate error compensation by controlling the strength of the feedback signal. We prove fast convergence for EControl in standard strongly convex, general convex, and nonconvex settings without any additional assumptions on the problem or data heterogeneity. We conduct extensive numerical evaluations to illustrate the efficacy of our method and support our theoretical findings.

Miscellaneous Aspects of Machine Learning · Online Learning, Active Learning and Bandits

Abudukelimu Wuerkaixi, Sen Cui, Jingfeng Zhang, Kunda Yan, Bo Han, Gang Niu, Lei Fang, Changshui Zhang, Masashi Sugiyama

Recent years have witnessed a burgeoning interest in federated learning (FL). However, the contexts in which clients engage in sequential learning remain under- explored. Bridging FL and continual learning (CL) gives rise to a challenging practical problem: federated continual learning (FCL). Existing research in FCL primarily focuses on mitigating the catastrophic forgetting issue of continual learning while collaborating with other clients. We argue that forgetting phenomena are not invariably detrimental. In this paper, we consider a more practical and challenging FCL setting characterized by potentially unrelated or even antagonistic data/tasks across different clients. In the FL scenario, statistical heterogeneity and data noise among clients may exhibit spurious correlations which result in biased feature learning. While existing CL strategies focus on the complete utilization of previous knowledge, we found that forgetting biased information was beneficial in our study. Therefore, we propose a new concept accurate forgetting (AF) and develop a novel generative-replay method AF-FCL that selectively utilizes previous knowledge in federated networks. We employ a probabilistic framework based on a normalizing flow model to quantify the credibility of previous knowledge. Comprehensive experiments affirm the superiority of our method over baselines.