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Deep Learning · Graph Neural Networks

Eran Rosenbluth, Jan Tönshoff, Martin Ritzert, Berke Kisin, Martin Grohe

Graph Transformers (GTs) such as SAN and GPS are graph processing models that combine Message-Passing GNNs (MPGNNs) with global Self-Attention. They were shown to be universal function approximators, with two reservations: 1. The initial node features must be augmented with certain positional encodings. 2. The approximation is non-uniform: Graphs of different sizes may require a different approximating network.We first clarify that this form of universality is not unique to GTs: Using the same positional encodings, also pure MPGNNs and even 2-layer MLPs are non-uniform universal approximators. We then consider uniform expressivity: The target function is to be approximated by a single network for graphs of all sizes. There, we compare GTs to the more efficient MPGNN + Virtual Node architecture. The essential difference between the two model definitions is in their global computation method: Self-Attention Vs Virtual Node. We prove that none of the models is a uniform-universal approximator, before proving our main result: Neither model’s uniform expressivity subsumes the other’s. We demonstrate the theory with experiments on synthetic data. We further augment our study with real-world datasets, observing mixed results which indicate no clear ranking in practice as well.

Applications · Health

Salar Abbaspourazad, Oussama Elachqar, Andrew Miller, Saba Emrani, Udhyakumar Nallasamy, Ian Shapiro

Tracking biosignals is crucial for monitoring wellness and preempting the development of severe medical conditions. Today, wearable devices can conveniently record various biosignals, creating the opportunity to monitor health status without disruption to one's daily routine. Despite widespread use of wearable devices and existing digital biomarkers, the absence of curated data with annotated medical labels hinders the development of new biomarkers to measure common health conditions. In fact, medical datasets are usually small in comparison to other domains, which is an obstacle for developing neural network models for biosignals. To address this challenge, we have employed self-supervised learning using the unlabeled sensor data collected under informed consent from the large longitudinal Apple Heart and Movement Study (AHMS) to train foundation models for two common biosignals: photoplethysmography (PPG) and electrocardiogram (ECG) recorded on Apple Watch. We curated PPG and ECG datasets from AHMS that include data from ${\sim} 141$K participants spanning ${\sim} 3$ years. Our self-supervised learning framework includes participant level positive pair selection, stochastic augmentation module and a regularized contrastive loss optimized with momentum training, and generalizes well to both PPG and ECG modalities. We show that the pre-trained foundation models readily encode information regarding participants' demographics and health conditions. To the best of our knowledge, this is the first study that builds foundation models using large-scale PPG and ECG data collected via wearable consumer devices $\textendash$ prior works have commonly used smaller-size datasets collected in clinical and experimental settings. We believe PPG and ECG foundation models can enhance future wearable devices by reducing the reliance on labeled data and hold the potential to help the users improve their health.

Deep Learning · Self-Supervised Learning

Dong Bok Lee, Seanie Lee, Joonho Ko, Kenji Kawaguchi, Juho Lee, Sung Ju Hwang

Dataset distillation aims to optimize a small set so that a model trained on the set achieves performance similar to that of a model trained on the full dataset. While many supervised methods have achieved remarkable success in distilling a large dataset into a small set of representative samples, however, they are not designed to produce a distilled dataset that can be effectively used to facilitate self-supervised pre-training. To this end, we propose a novel problem of distilling an unlabeled dataset into a set of small synthetic samples for efficient self-supervised learning (SSL). We first prove that a gradient of synthetic samples with respect to a SSL objective in naive bilevel optimization is \textit{biased} due to the randomness originating from data augmentations or masking for inner optimization. To address this issue, we propose to minimize the mean squared error (MSE) between a model's representations of the synthetic examples and their corresponding learnable target feature representations for the inner objective, which does not introduce any randomness. Our primary motivation is that the model obtained by the proposed inner optimization can mimic the \textit{self-supervised target model}. To achieve this, we also introduce the MSE between representations of the inner model and the self-supervised target model on the original full dataset for outer optimization. We empirically validate the effectiveness of our method on transfer learning. Our code is available at https://github.com/db-Lee/selfsup_dd

Theory · Probabilistic Methods

Muthu Chidambaram, Rong Ge

Despite the impressive generalization capabilities of deep neural networks, they have been repeatedly shown to be overconfident when they are wrong. Fixing this issue is known as model calibration, and has consequently received much attention in the form of modified training schemes and post-training calibration procedures such as temperature scaling. While temperature scaling is frequently used because of its simplicity, it is often outperformed by modified training schemes. In this work, we identify a specific bottleneck for the performance of temperature scaling. We show that for empirical risk minimizers for a general set of distributions in which the supports of classes have overlaps, the performance of temperature scaling degrades with the amount of overlap between classes, and asymptotically becomes no better than random when there are a large number of classes. On the other hand, we prove that optimizing a modified form of the empirical risk induced by the Mixup data augmentation technique can in fact lead to reasonably good calibration performance, showing that training-time calibration may be necessary in some situations. We also verify that our theoretical results reflect practice by showing that Mixup significantly outperforms empirical risk minimization (with respect to multiple calibration metrics) on image classification benchmarks with class overlaps introduced in the form of label noise.

Deep Learning · Robustness

Yihao Xue, Eric Gan, Jiayi Ni, Siddharth Joshi, Baharan Mirzasoleiman

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical effectiveness, the reason behind the success of this technique is poorly understood. The pre-projection representations are not directly optimized by the loss function, raising the question: what makes them better? In this work, we provide a rigorous theoretical answer to this question. We start by examining linear models trained with self-supervised contrastive loss. We reveal that the implicit bias of training algorithms leads to layer-wise progressive feature weighting, where features become increasingly unequal as we go deeper into the layers. Consequently, lower layers tend to have more normalized and less specialized representations. We theoretically characterize scenarios where such representations are more beneficial, highlighting the intricate interplay between data augmentation and input features. Additionally, we demonstrate that introducing non-linearity into the network allows lower layers to learn features that are completely absent in higher layers. Finally, we show how this mechanism improves the robustness in supervised contrastive learning and supervised learning. We empirically validate our results through various experiments on CIFAR-10/100, UrbanCars and shifted versions of ImageNet. We also introduce a potential alternative to projection head, which offers a more interpretable and controllable design.

Deep Learning · Large Language Models

Yixuan Weng, Minjun Zhu, Fei Xia, Bin Li, Shizhu He, Kang Liu, Jun Zhao

Language models' (LMs) proficiency in handling deterministic symbolic reasoning and rule-based tasks remains limited due to their dependency implicit learning on textual data. To endow LMs with genuine rule comprehension abilities, we propose "Neural Comprehension" - a framework that synergistically integrates compiled neural networks (CoNNs) into the standard transformer architecture. CoNNs are neural modules designed to explicitly encode rules through artificially generated attention weights. By incorporating CoNN modules, the Neural Comprehension framework enables LMs to accurately and robustly execute rule-intensive symbolic tasks. Extensive experiments demonstrate the superiority of our approach over existing techniques in terms of length generalization, efficiency, and interpretability for symbolic operations. Furthermore, it can be applied to LMs across different model scales, outperforming tool-calling methods in arithmetic reasoning tasks while maintaining superior inference efficiency. Our work highlights the potential of seamlessly unifying explicit rule learning via CoNNs and implicit pattern learning in LMs, paving the way for true symbolic comprehension capabilities. The code is released at: \url{https://github.com/wengsyx/Neural-Comprehension}.

Deep Learning · Large Language Models

Moritz Hardt, Yu Sun

Many recent efforts augment language models with retrieval, by adding retrieved data to the input context. For this approach to succeed, the retrieved data must be added at both training and test time. Moreover, as input length grows linearly with the size of retrieved data, cost in computation and memory grows quadratically for modern Transformers. To avoid these complications, we simply fine-tune the model on retrieved data at test time, using its standard training setup. We build a large-scale distributed index based on text embeddings of the Pile dataset. For each test input, our system retrieves its neighbors and fine-tunes the model on their text. Surprisingly, retrieving and training on as few as 20 neighbors, each for only one gradient iteration, drastically improves performance across more than 20 language modeling tasks in the Pile. For example, test-time training with nearest neighbors significantly narrows the performance gap between a small GPT-2 and a GPT-Neo model more than 10 times larger. Sufficient index quality and size, however, are necessary. Our work establishes a first baseline of test-time training for language modeling.

Deep Learning · Self-Supervised Learning

Yi Sui, Tongzi Wu, Jesse Cresswell, Ga Wu, George Stein, Xiao Shi (Gary) Huang, Xiaochen Zhang, Maksims Volkovs

Self-supervised representation learning (SSRL) has advanced considerably by exploiting the transformation invariance assumption under artificially designed data augmentations. While augmentation-based SSRL algorithms push the boundaries of performance in computer vision and natural language processing, they are often not directly applicable to other data modalities, and can conflict with application-specific data augmentation constraints. This paper presents an SSRL approach that can be applied to any data modality and network architecture because it does not rely on augmentations or masking. Specifically, we show that high-quality data representations can be learned by reconstructing random data projections. We evaluate the proposed approach on a wide range of representation learning tasks that span diverse modalities and real-world applications. We show that it outperforms multiple state-of-the-art SSRL baselines. Due to its wide applicability and strong empirical results, we argue that learning from randomness is a fruitful research direction worthy of attention and further study.

Applications · Robotics

Hongtao Wu, Ya Jing, Chilam Cheang, Guangzeng Chen, Jiafeng Xu, Xinghang Li, Minghuan Liu, Hang Li, Tao Kong

Generative pre-trained models have demonstrated remarkable effectiveness in language and vision domains by learning useful representations. In this paper, we extend the scope of this effectiveness by showing that visual robot manipulation can significantly benefit from large-scale video generative pre-training. We introduce GR-1, a GPT-style model designed for multi-task language-conditioned visual robot manipulation. GR-1 takes as inputs a language instruction, a sequence of observation images, and a sequence of robot states. It predicts robot actions as well as future images in an end-to-end manner. Thanks to a flexible design, GR-1 can be seamlessly finetuned on robot data after pre-trained on a large-scale video dataset. We perform extensive experiments on the challenging CALVIN benchmark and a real robot. On CALVIN benchmark, our method outperforms state-of-the-art baseline methods and improves the success rate from 88.9% to 94.9%. In the setting of zero-shot unseen scene generalization, GR-1 improves the success rate from 53.3% to 85.4%. In real robot experiments, GR-1 also outperforms baseline methods and shows strong potentials in generalization to unseen scenes and objects. We provide inaugural evidence that a unified GPT-style transformer, augmented with large-scale video generative pre-training, exhibits remarkable generalization to multi-task visual robot manipulation. Project page: https://GR1-Manipulation.github.io

Deep Learning · Generative Models and Autoencoders

Kushagra Pandey, Maja Rudolph, Stephan Mandt

Diffusion models suffer from slow sample generation at inference time. Therefore, developing a principled framework for fast deterministic/stochastic sampling for a broader class of diffusion models is a promising direction. We propose two complementary frameworks for accelerating sample generation in pre-trained models: Conjugate Integrators and Splitting Integrators. Conjugate integrators generalize DDIM, mapping the reverse diffusion dynamics to a more amenable space for sampling. In contrast, splitting-based integrators, commonly used in molecular dynamics, reduce the numerical simulation error by cleverly alternating between numerical updates involving the data and auxiliary variables. After extensively studying these methods empirically and theoretically, we present a hybrid method that leads to the best-reported performance for diffusion models in augmented spaces. Applied to Phase Space Langevin Diffusion [Pandey \& Mandt, 2023] on CIFAR-10, our deterministic and stochastic samplers achieve FID scores of 2.11 and 2.36 in only 100 network function evaluations (NFE) as compared to 2.57 and 2.63 for the best-performing baselines, respectively. Our code and model checkpoints will be made publicly available at https://github.com/mandt-lab/PSLD

Deep Learning · Generative Models and Autoencoders

Lukas Berglund, Meg Tong, Maximilian Kaufmann, Mikita Balesni, Asa Stickland, Tomek Korbak, Owain Evans

We expose a surprising failure of generalization in auto-regressive large language models (LLMs). If a model is trained on a sentence of the form ''_A_ is _B_'', it will not automatically generalize to the reverse direction ''_B_ is _A_''. This is the **Reversal Curse**. For instance, if a model is trained on ''Valentina Tereshkova was the first woman to travel to space'', it will not automatically be able to answer the question, ''Who was the first woman to travel to space?''. Moreover, the likelihood of the correct answer (''Valentina Tershkova'') will not be higher than for a random name. Thus, models do not generalize a prevalent pattern in their training set: if ''_A_ is _B_'' occurs, ''_B_ is _A_'' is more likely to occur. It is worth noting, however, that if ''_A_ is _B_'' appears _in-context_, models can deduce the reverse relationship. We provide evidence for the Reversal Curse by finetuning GPT-3 and Llama-1 on fictitious statements such as ''Uriah Hawthorne is the composer of _Abyssal Melodies_'' and showing that they fail to correctly answer ''Who composed _Abyssal Melodies?_''. The Reversal Curse is robust across model sizes and model families and is not alleviated by data augmentation.We also evaluate ChatGPT (GPT-3.5 and GPT-4) on questions about real-world celebrities, such as ''Who is Tom Cruise's mother? [A: Mary Lee Pfeiffer]'' and the reverse ''Who is Mary Lee Pfeiffer's son?''. GPT-4 correctly answers questions like the former 79\% of the time, compared to 33\% for the latter. Code available at: https://github.com/lukasberglund/reversal_curse.

Reinforcement Learning · Everything Else

Minjun Sung, Sambhu Harimanas Karumanchi, Aditya Gahlawat, Naira HOVAKIMYAN

We introduce $\mathcal{L}_1$-MBRL, a control-theoretic augmentation scheme for Model-Based Reinforcement Learning (MBRL) algorithms. Unlike model-free approaches, MBRL algorithms learn a model of the transition function using data and use it to design a control input. Our approach generates a series of approximate control-affine models of the learned transition function according to the proposed switching law. Using the approximate model, control input produced by the underlying MBRL is perturbed by the $\mathcal{L}_1$ adaptive control, which is designed to enhance the robustness of the system against uncertainties. Importantly, this approach is agnostic to the choice of MBRL algorithm, enabling the use of the scheme with various MBRL algorithms. MBRL algorithms with $\mathcal{L}_1$ augmentation exhibit enhanced performance and sample efficiency across multiple MuJoCo environments, outperforming the original MBRL algorithms, both with and without system noise.

Deep Learning

Brandon Trabucco, Kyle Doherty, Max Gurinas, Ruslan Salakhutdinov

Data augmentation is one of the most prevalent tools in deep learning, underpinning many recent advances, including those from classification, generative models, and representation learning. The standard approach to data augmentation combines simple transformations like rotations and flips to generate new images from existing ones. However, these new images lack diversity along key semantic axes present in the data. Current augmentations cannot alter the high-level semantic attributes, such as animal species present in a scene, to enhance the diversity of data. We address the lack of diversity in data augmentation with image-to-image transformations parameterized by pre-trained text-to-image diffusion models. Our method edits images to change their semantics using an off-the-shelf diffusion model, and generalizes to novel visual concepts from a few labelled examples. We evaluate our approach on few-shot image classification tasks, and on a real-world weed recognition task, and observe an improvement in accuracy in tested domains.

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.

Xiaqing Pan, Nicholas Charron, Yongqian Yang, Scott Peters, Thomas Whelan, Chen Kong, Omkar Parkhi, Richard Newcombe, Yuheng (Carl) Ren

We introduce the Aria Digital Twin (ADT) - an egocentric dataset captured using Aria glasses with extensive object, environment, and human level ground truth. This ADT release contains 200 sequences of real-world activities conducted by Aria wearers in two real indoor scenes with 398 object instances (344 stationary and 74 dynamic). Each sequence consists of: a) raw data of two monochrome camera streams, one RGB camera stream, two IMU streams; b) complete sensor calibration; c) ground truth data including continuous 6-degree-of-freedom (6DoF) poses of the Aria devices, object 6DoF poses, 3D eye gaze vectors, 3D human poses, 2D image segmentations, image depth maps; and d) photo-realistic synthetic renderings. To the best of our knowledge, there is no existing egocentric dataset with a level of accuracy, photo-realism and comprehensiveness comparable to ADT. By contributing ADT to the research community, our mission is to set a new standard for evaluation in the egocentric machine perception domain, which includes very challenging research problems such as 3D object detection and tracking, scene reconstruction and understanding, sim-to-real learning, human pose prediction - while also inspiring new machine perception tasks for augmented reality (AR) applications. To kick start exploration of the ADT research use cases, we evaluated several existing state-of-the-art methods for object detection, segmentation and image translation tasks that demonstrate the usefulness of ADT as a benchmarking dataset.

Jun Dan, Yang Liu, Haoyu Xie, Jiankang Deng, Haoran Xie, Xuansong Xie, Baigui Sun

Vision Transformers (ViTs) have demonstrated powerful representation ability in various visual tasks thanks to their intrinsic data-hungry nature. However, we unexpectedly find that ViTs perform vulnerably when applied to face recognition (FR) scenarios with extremely large datasets. We investigate the reasons for this phenomenon and discover that the existing data augmentation approach and hard sample mining strategy are incompatible with ViTs-based FR backbone due to the lack of tailored consideration on preserving face structural information and leveraging each local token information. To remedy these problems, this paper proposes a superior FR model called TransFace, which employs a patch-level data augmentation strategy named DPAP and a hard sample mining strategy named EHSM. Specially, DPAP randomly perturbs the amplitude information of dominant patches to expand sample diversity, which effectively alleviates the overfitting problem in ViTs. EHSM utilizes the information entropy in the local tokens to dynamically adjust the importance weight of easy and hard samples during training, leading to a more stable prediction. Experiments on several benchmarks demonstrate the superiority of our TransFace. Code and models are available at https://github.com/DanJun6737/TransFace.

Sungchan Park, Eunyi You, Inhoe Lee, Joonseok Lee

3D pose estimation is an invaluable task in computer vision with various practical applications. Especially, 3D pose estimation for multi-person from a monocular video (3DMPPE) is particularly challenging and is still largely uncharted, far from applying to in-the-wild scenarios yet. We pose three unresolved issues with the existing methods: lack of robustness on unseen views during training, vulnerability to occlusion, and severe jittering in the output. As a remedy, we propose POTR-3D, the first realization of a sequence-to-sequence 2D-to-3D lifting model for 3DMPPE, powered by a novel geometry-aware data augmentation strategy, capable of generating unbounded data with a variety of views while caring about the ground plane and occlusions. Through extensive experiments, we verify that the proposed model and data augmentation robustly generalizes to diverse unseen views, robustly recovers the poses against heavy occlusions, and reliably generates more natural and smoother outputs. The effectiveness of our approach is verified not only by achieving the state-of-the-art performance on public benchmarks, but also by qualitative results on more challenging in-the-wild videos. Demo videos are available at https://www.youtube.com/@potr3d.

Yuanyi Zhong, Anand Bhattad, Yu-Xiong Wang, David Forsyth

Dense depth and surface normal predictors should possess the equivariant property to cropping-and-resizing -- cropping the input image should result in cropping the same output image. However, we find that state-of-the-art depth and normal predictors, despite having strong performances, surprisingly do not respect equivariance. The problem exists even when crop-and-resize data augmentation is employed during training. To remedy this, we propose an equivariant regularization technique, consisting of an averaging procedure and a self-consistency loss, to explicitly promote cropping-and-resizing equivariance in depth and normal networks. Our approach can be applied to both CNN and Transformer architectures, does not incur extra cost during testing, and notably improves the supervised and semi-supervised learning performance of dense predictors on Taskonomy tasks. Finally, finetuning with our loss on unlabeled images improves not only equivariance but also accuracy of state-of-the-art depth and normal predictors when evaluated on NYU-v2.

Ziyang Xie, Ziqi Pang, Yu-Xiong Wang

While bird's-eye-view (BEV) perception models can be useful for building high-definition maps (HD-Maps) with less human labor, their results are often unreliable and demonstrate noticeable inconsistencies in the predicted HD-Maps from different viewpoints. This is because BEV perception is typically set up in an "onboard" manner, which restricts the computation and consequently prevents algorithms from reasoning multiple views simultaneously. This paper overcomes these limitations and advocates a more practical "offboard" HD-Map generation setup that removes the computation constraints, based on the fact that HD-Maps are commonly reusable infrastructures built offline in data centers. To this end, we propose a novel offboard pipeline called MV-Map that capitalizes multi-view consistency and can handle an arbitrary number of frames with the key desgin of a "region-centric" framework. In MV-Map, the target HD-Maps are created by aggregating all the frames of onboard predictions, weighted by the confidence scores assigned by an "uncertainty network." To further enhance multi-view consistency, we augment the uncertainty network with the global 3D structure optimized by a voxelized neural radiance field (Voxel-NeRF). Extensive experiments on nuScenes show that our MV-Map significantly improves the quality of HD-Maps, further highlighting the importance of offboard methods for HD-Map generation.

Cristiano Saltori, Aljosa Osep, Elisa Ricci, Laura Leal-Taixé

The ability to deploy robots that can operate safely in diverse environments is crucial for developing embodied intelligent agents. As a community, we have made tremendous progress in within-domain LiDAR semantic segmentation. However, do these methods generalize across domains? To answer this question, we design the first experimental setup for studying domain generalization (DG) for LiDAR semantic segmentation (DG-LSS). Our results confirm a significant gap between methods, evaluated in a cross-domain setting: for example, a model trained on the source dataset (SemanticKITTI) obtains 26.53 mIoU on the target data, compared to 48.49 mIoU obtained by the model trained on the target domain (nuScenes). To tackle this gap, we propose the first method specifically designed for DG-LSS, which obtains 34.88 mIoU on the target domain, outperforming all baselines. Our method augments a sparse-convolutional encoder-decoder 3D segmentation network with an additional, dense 2D convolutional decoder that learns to classify a birds-eye view of the point cloud. This simple auxiliary task encourages the 3D network to learn features that are robust to sensor placement shifts and resolution, and are transferable across domains. With this work, we aim to inspire the community to develop and evaluate future models in such cross-domain conditions.