GenAI4ELab/papercli-papers huggingface dataset:
PRES: Toward Scalable Memory-Based Dynamic Graph Neural Networks
Authors: Junwei Su; Difan Zou; Chuan Wu
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Memory-based Dynamic Graph Neural Networks (MDGNNs) are a family of dynamic graph neural networks that leverage a memory module to extract, distill, and memorize long-term temporal dependencies, leading to superior performance compared to memory-less counterparts. However, training MDGNNs faces the challenge of handling entangled temporal and structural dependencies, requiring sequential and chronological processing of data sequences to capture accurate temporal patterns. During the batch training, the temporal data points within the same batch will be processed in parallel, while their temporal dependencies are neglected. This issue is referred to as temporal discontinuity and restricts the effective temporal batch size, limiting data parallelism and reducing MDGNNs' flexibility in industrial applications. This paper studies the efficient training of MDGNNs at scale, focusing on the temporal discontinuity in training MDGNNs with large temporal batch sizes. We first conduct a theoretical study on the impact of temporal batch 
size on the convergence of MDGNN training. Based on the analysis, we propose PRES, an iterative prediction-correction scheme combined with a memory coherence learning objective to mitigate the effect of temporal discontinuity, enabling MDGNNs to be trained with significantly larger temporal batches without sacrificing generalization performance. Experimental results demonstrate that our approach enables up to a 4 $\times$ larger temporal batch (3.4$\times$ speed-up) during MDGNN training.
TEDDY: Trimming Edges with Degree-based Discrimination Strategy
Authors: Hyunjin Seo; Jihun Yun; Eunho Yang
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Since the pioneering work on the lottery ticket hypothesis for graph neural networks (GNNs) was proposed in Chen et al. (2021), the study on finding graph lottery tickets (GLT) has become one of the pivotal focus in the GNN community, inspiring researchers to discover sparser GLT while achieving comparable performance to original dense networks. In parallel, the graph structure has gained substantial attention as a crucial factor in GNN training dynamics, also elucidated by several recent studies. Despite this, contemporary studies on GLT, in general, have not fully exploited inherent pathways in the graph structure and identified tickets in an iterative manner, which is time-consuming and inefficient. To address these limitations, we introduce **TEDDY**, a one-shot edge sparsification framework that leverages structural information by incorporating *edge-degree* statistics. Following the edge sparsification, we encourage the parameter sparsity during training via simple projected gradient descent on the $\ell_0$ ball. Given the target sparsity levels for both the graph structure and the model parameters, our TEDDY facilitates efficient and rapid realization of GLT within a *single* training. Remarkably, our experimental results demonstrate that TEDDY significantly surpasses conventional iterative approaches in generalization, even when conducting one-shot sparsification that solely utilizes graph structures, without taking feature information into account.
Learning to Jointly Understand Visual and Tactile Signals
Authors: Yichen Li; Yilun Du; Chao Liu; Chao Liu; Francis Williams; Michael Foshey; Benjamin Eckart; Jan Kautz; Joshua B. Tenenbaum; Antonio Torralba; Wojciech Matusik
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Modeling and analyzing object and shape has been well studied in the past. However, manipulation of these complex tools and articulated objects remains difficult for autonomous agents. Our human hands, however, are dexterous and adaptive. We can easily adapt a manipulation skill on one object to all objects in the class and to other similar classes. Our intuition comes from that there is a close connection between manipulations and topology and articulation of objects. The possible articulation of objects indicates the types of manipulation necessary to operate the object. In this work, we aim to take a manipulation perspective to understand everyday objects and tools. We collect a multi-modal visual-tactile dataset that contains paired full-hand force pressure maps and manipulation videos. We also propose a novel method to learn a cross-modal latent manifold that allow for cross-modal prediction and discovery of latent structure in different data modalities. We conduct extensive experiments to demonstrate the effectiveness of our method.
NeurRev: Train Better Sparse Neural Network Practically via Neuron Revitalization
Authors: Gen Li; Lu Yin; Jie Ji; Wei Niu; Minghai Qin; Bin Ren; Linke Guo; Shiwei Liu; Xiaolong Ma
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Dynamic Sparse Training (DST) employs a greedy search mechanism to identify an optimal sparse subnetwork by periodically pruning and growing network connections during training. To guarantee effectiveness, DST algorithms rely on high search frequency, which consequently, requires large learning rate and batch size to enforce stable neuron learning. Such settings demand extreme memory consumption, as well as generating significant system overheads that limit the wide deployment of deep learning-based applications on resource-constraint platforms. To reconcile such, we propose $\underline{Neur}$on $\underline{Rev}$italization framework for DST (NeurRev), based on an innovative finding that dormant neurons exist with the presence of weight sparsity, and cannot be revitalized (i.e., activated for learning) even with high sparse mask search frequency. These dormant neurons produce a large quantity of zeros during training, which contribute relatively little to the outputs of succeeding layers or to the final results. Different from most existing DST algorithms that spare no effort designing weight growing criteria, NeurRev focuses on optimizing the long-neglected pruning part, which awakes dormant neurons by pruning and incurs no additional computation costs. As such, NeurRev advances more effective neuron learning, which not only achieves outperforming accuracy in a variety of networks and datasets, but also promoting a low-cost dynamism at system-level. Systematical evaluations on training speed and system overhead are conducted on the mobile devices, where the proposed NeurRev framework consistently outperforms representative state-of-the-arts. Code will be released.
SPDER: Semiperiodic Damping-Enabled Object Representation
Authors: Kathan Shah; Chawin Sitawarin
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We present a neural network architecture designed to naturally learn a positional embedding and overcome the spectral bias towards lower frequencies faced by conventional implicit neural representation networks. Our proposed architecture, SPDER, is a simple MLP that uses an activation function composed of a sinusoidal multiplied by a sublinear function, called the damping function. The sinusoidal enables the network to automatically learn the positional embedding of an input coordinate while the damping passes on the actual coordinate value by preventing it from being projected down to within a finite range of values. Our results indicate that SPDERs speed up training by 10 times and converge to losses 1,500 to 50,000 times lower than that of the state-of-the-art for image representation. SPDER is also state-of-the-art in audio representation. The superior representation capability allows SPDER to also excel on multiple downstream tasks such as image super-resolution and video frame interpolation. We provide intuition as to why SPDER significantly improves fitting compared to that of other INR methods while requiring no hyperparameter tuning or preprocessing. See code at https://github.com/katop1234/SPDER.
The Unreasonable Effectiveness of Linear Prediction as a Perceptual Metric
Authors: Daniel Severo; Lucas Theis; Jona Ballé
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: We show how perceptual embeddings of the visual system can be constructed at inference-time with no training data or deep neural network features. Our perceptual embeddings are solutions to a weighted least squares (WLS) problem, defined at the pixel-level, and solved at inference-time, that can capture global and local image characteristics. The distance in embedding space is used to define a perceptual similary metric which we call \emph{LASI: Linear Autoregressive Similarity Index}. Experiments on full-reference image quality assessment datasets show LASI performs competitively with learned deep feature based methods like LPIPS \citep{zhang2018unreasonable} and PIM \citep{bhardwaj2020unsupervised}, at a similar computational cost to hand-crafted methods such as MS-SSIM \citep{wang2003multiscale}. We found that increasing the dimensionality of the embedding space consistently reduces the WLS loss while increasing performance on perceptual tasks, at the cost of increasing the computational complexity. LASI is fully differentiable, scales cubically with the number of embedding dimensions, and can be parallelized at the pixel-level. A Maximum Differentiation (MAD) competition \citep{wang2008maximum} between LASI and LPIPS shows that both methods are capable of finding failure points for the other, suggesting these metrics can be combined.
Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding
Authors: Tatsunori Taniai; Ryo Igarashi; Yuta Suzuki; Naoya Chiba; Kotaro Saito; Yoshitaka Ushiku; Kanta Ono
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Predicting physical properties of materials from their crystal structures is a fundamental problem in materials science. In peripheral areas such as the prediction of molecular properties, fully connected attention networks have been shown to be successful. However, unlike these finite atom arrangements, crystal structures are infinitely repeating, periodic arrangements of atoms, whose fully connected attention results in *infinitely connected attention*. In this work, we show that this infinitely connected attention can lead to a computationally tractable formulation, interpreted as *neural potential summation*, that performs infinite interatomic potential summations in a deeply learned feature space. We then propose a simple yet effective Transformer-based encoder architecture for crystal structures called *Crystalformer*. Compared to an existing Transformer-based model, the proposed model requires only 29.4% of the number of parameters, with minimal modifications to the original Transformer architecture. Despite the architectural simplicity, the proposed method outperforms state-of-the-art methods for various property regression tasks on the Materials Project and JARVIS-DFT datasets.
Fast Ensembling with Diffusion Schrödinger Bridge
Authors: Hyunsu Kim; Jongmin Yoon; Juho Lee
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Deep Ensemble approach is a straightforward technique used to enhance the performance of deep neural networks by training them from different initial points, converging towards various local optima. However, a limitation of this methodology lies in its high computational overhead for inference, arising from the necessity to store numerous learned parameters and execute individual forward passes for each parameter during the inference stage.We propose a novel approach called Diffusion Bridge Network to address this challenge. Based on the theory of Schr\"odinger bridge, this method directly learns to simulate an Stochastic Differential Equation (SDE) that connects the output distribution of a single ensemble member to the output distribution of the ensembled model, allowing us to obtain ensemble prediction without having to invoke forward pass through all the ensemble models. By substituting the heavy ensembles with this lightweight neural network constructing DBN, we achieved inference with reduced computational cost while maintaining accuracy and uncertainty scores on benchmark datasets such as CIFAR-10, CIFAR-100, and TinyImageNet.
Decoupling regularization from the action space
Authors: Sobhan Mohammadpour; Emma Frejinger; Pierre-Luc Bacon
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Regularized reinforcement learning (RL), particularly the entropy-regularized kind, has gained traction in optimal control and inverse RL. While standard unregularized RL methods remain unaffected by changes in the number of actions, we show that it can severely impact their regularized counterparts. This paper demonstrates the importance of decoupling the regularizer from the action space: that is, to maintain a consistent level of regularization regardless of how many actions are involved to avoid over-regularization. Whereas the problem can be avoided by introducing a task-specific temperature parameter, it is often undesirable and cannot solve the problem when action spaces are state-dependent. In the state-dependent action context, different states with varying action spaces are regularized inconsistently. We introduce two solutions: a static temperature selection approach and a dynamic counterpart, universally applicable where this problem arises. Implementing these changes improves performance on the DeepMind control suite in static and dynamic temperature regimes and a biological design task.
Robust Similarity Learning with Difference Alignment Regularization
Authors: Shuo Chen; Gang Niu; Chen Gong; Okan Koc; Jian Yang; Masashi Sugiyama
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Similarity-based representation learning has shown impressive capabilities in both supervised (e.g., metric learning) and unsupervised (e.g., contrastive learning) scenarios. Existing approaches effectively constrained the representation difference (i.e., the disagreement between the embeddings of two instances) to fit the corresponding (pseudo) similarity supervision. However, most of them can hardly restrict the variation of representation difference, sometimes leading to overfitting results where the clusters are disordered by drastically changed differences. In this paper, we thus propose a novel difference alignment regularization (DAR) to encourage all representation differences between inter-class instances to be as close as possible, so that the learning algorithm can produce consistent differences to distinguish data points from each other. To this end, we construct a new cross-total-variation (CTV) norm to measure the divergence among representation differences, and we convert it into an equivalent stochastic form for easy optimization. Then, we integrate the proposed regularizer into the empirical loss for difference-aligned similarity learning (DASL), shrinking the hypothesis space and alleviating overfitting. Theoretically, we prove that our regularizer tightens the error bound of the traditional similarity learning. Experiments on multi-domain data demonstrate the superiority of DASL over existing approaches in both supervised metric learning and unsupervised contrastive learning tasks.
Overcoming the Pitfalls of Vision-Language Model Finetuning for OOD Generalization
Authors: Yuhang Zang; Hanlin Goh; Joshua M. Susskind; Chen Huang
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: Existing vision-language models exhibit strong generalization on a variety of visual domains and tasks. However, such models mainly perform zero-shot recognition in a closed-set manner, and thus struggle to handle open-domain visual concepts by design. There are recent finetuning methods, such as prompt learning, that not only study the discrimination between in-distribution (ID) and out-of-distribution (OOD) samples, but also show some improvements in both ID and OOD accuracies. In this paper, we first demonstrate that vision-language models, after long enough finetuning but without proper regularization, tend to overfit the known classes in the given dataset, with degraded performance on unknown classes. Then we propose a novel approach OGEN to address this pitfall, with the main focus on improving the OOD GENeralization of finetuned models. Specifically, a class-conditional feature generator is introduced to synthesize OOD features using just the class name of any unknown class. Such synthesized features will provide useful knowledge about unknowns and help regularize the decision boundary between ID and OOD data when optimized jointly. Equally important is our adaptive self-distillation mechanism to regularize our feature generation model during joint optimization, i.e., adaptively transferring knowledge between model states to further prevent overfitting. Experiments validate that our method yields convincing gains in OOD generalization performance in different settings. Code: https://github.com/apple/ml-ogen.
Learning Performance-Improving Code Edits
Authors: Alexander G Shypula; Aman Madaan; Yimeng Zeng; Uri Alon; Jacob R. Gardner; Yiming Yang; Milad Hashemi; Graham Neubig; Parthasarathy Ranganathan; Osbert Bastani; Amir Yazdanbakhsh
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: With the decline of Moore's law, optimizing program performance has become a major focus of software research. However, high-level optimizations such as API and algorithm changes remain elusive due to the difficulty of understanding the semantics of code. Simultaneously, pretrained large language models (LLMs) have demonstrated strong capabilities at solving a wide range of programming tasks. To that end, we introduce a framework for adapting LLMs to high-level program optimization. First, we curate a dataset of performance-improving edits made by human programmers of over 77,000 competitive C++ programming submission pairs, accompanied by extensive unit tests. A major challenge is the significant variability of measuring performance on commodity hardware, which can lead to spurious "improvements." To isolate and reliably evaluate the impact of program optimizations, we design an environment based on the gem5 full system simulator, the de facto simulator used in academia and industry. Next, we propose a broad range of adaptation strategies for code optimization; for prompting, these include retrieval-based few-shot prompting and chain-of-thought, and for finetuning, these include performance-conditioned generation and synthetic data augmentation based on self-play. A combination of these techniques achieves a mean speedup of 6.86$\times$ with eight generations, higher than average optimizations from individual programmers (3.66$\times$). Using our model's fastest generations, we set a new upper limit on the fastest speedup possible for our dataset at 9.64$\times$ compared to using the fastest human submissions available (9.56$\times$).
ConR: Contrastive Regularizer for Deep Imbalanced Regression
Authors: Mahsa Keramati; Lili Meng; R. David Evans
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: 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 imposes
a 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.
Quasi-Monte Carlo for 3D Sliced Wasserstein
Authors: Khai Nguyen; Nicola Bariletto; Nhat Ho
Venue: ICLR 2024 (ICLR 2024 spotlight)

Abstract: Monte Carlo (MC) integration has been employed as the standard approximation method for the Sliced Wasserstein (SW) distance, whose analytical expression involves an intractable expectation. However, MC integration is not optimal in terms of absolute approximation error. To provide a better class of empirical SW, we propose quasi-sliced Wasserstein (QSW) approximations that rely on Quasi-Monte Carlo (QMC) methods. For a comprehensive investigation of QMC for SW, we focus on the 3D setting, specifically computing the SW between probability measures in three dimensions. In greater detail, we empirically evaluate various methods to construct QMC point sets on the 3D unit-hypersphere, including the Gaussian-based and equal area mappings, generalized spiral points, and optimizing discrepancy energies. Furthermore, to obtain an unbiased estimator for stochastic optimization, we extend QSW to Randomized Quasi-Sliced Wasserstein (RQSW) by introducing randomness in the discussed point sets. Theoretically, we prove the asymptotic convergence of QSW and the unbiasedness of RQSW. Finally, we conduct experiments on various 3D tasks, such as point-cloud comparison, point-cloud interpolation, image style transfer, and training deep point-cloud autoencoders, to demonstrate the favorable performance of the proposed QSW and RQSW variants.
A Graph is Worth 1-bit Spikes: When Graph Contrastive Learning Meets Spiking Neural Networks
Authors: Jintang Li; Huizhe Zhang; Ruofan Wu; Zulun Zhu; Baokun Wang; Changhua Meng; Zibin Zheng; Liang Chen
Venue: ICLR 2024 (ICLR 2024 poster)

Abstract: While contrastive self-supervised learning has become the de-facto learning paradigm for graph neural networks, the pursuit of higher task accuracy requires a larger hidden dimensionality to learn informative and discriminative full-precision representations, raising concerns about computation, memory footprint, and energy consumption burden (largely overlooked) for real-world applications. This work explores a promising direction for graph contrastive learning (GCL) with spiking neural networks (SNNs), which leverage sparse and binary characteristics to learn more biologically plausible and compact representations. We propose SpikeGCL, a novel GCL framework to learn binarized 1-bit representations for graphs, making balanced trade-offs between efficiency and performance. We provide theoretical guarantees to demonstrate that SpikeGCL has comparable expressiveness with its full-precision counterparts. Experimental results demonstrate that, with nearly 32x representation storage compression, SpikeGCL is either comparable to or outperforms many fancy state-of-the-art supervised and self-supervised methods across several graph benchmarks.