OpenRaiser/Intern-Atlas huggingface dataset:
Sparse Mixture-of-Experts are Domain Generalizable Learners
Venue: Conference ICLR 2023
Year: 2023

Human visual perception can easily generalize to out-of-distributed visual data, which is far beyond the capability of modern machine learning models. Domain generalization (DG) aims to close this gap, with existing DG methods mainly focusing on the loss function design. In this paper, we propose to explore an orthogonal direction, i.e., the design of the backbone architecture. It is motivated by an empirical finding that transformer-based models trained with empirical risk minimization (ERM) outperform CNN-based models employing state-of-the-art (SOTA) DG algorithms on multiple DG datasets. We develop a formal framework to characterize a network's robustness to distribution shifts by studying its architecture's alignment with the correlations in the dataset. This analysis guides us to propose a novel DG model built upon vision transformers, namely Generalizable Mixture-of-Experts (GMoE). Extensive experiments on DomainBed demonstrate that GMoE trained with ERM outperforms SOTA DG baselines by a large margin. Moreover, GMoE is complementary to existing DG methods and its performance is substantially improved when trained with DG algorithms.
A Convergent Single-Loop Algorithm for Relaxation of Gromov-Wasserstein in Graph Data
Venue: Conference ICLR 2023
Year: 2023

In this work, we present the Bregman Alternating Projected Gradient (BAPG) method, a single-loop algorithm that offers an approximate solution to the Gromov-Wasserstein (GW) distance. We introduce a novel relaxation technique that balances accuracy and computational efficiency, albeit with some compromises in the feasibility of the coupling map. Our analysis is based on the observation that the GW problem satisfies the Luo-Tseng error bound condition, which relates to estimating the distance of a point to the critical point set of the GW problem based on the optimality residual. This observation allows us to provide an approximation bound for the distance between the fixed-point set of BAPG and the critical point set of GW. Moreover, under a mild technical assumption, we can show that BAPG converges to its fixed point set. The effectiveness of BAPG has been validated through comprehensive numerical experiments in graph alignment and partition tasks, where it outperforms existing methods in terms of both solution quality and wall-clock time.
Statistical Theory of Differentially Private Marginal-based Data Synthesis Algorithms
Venue: Conference ICLR 2023
Year: 2023

Marginal-based methods achieve promising performance in the synthetic data competition hosted by the National Institute of Standards and Technology (NIST). To deal with high-dimensional data, the distribution of synthetic data is represented by a probabilistic graphical model (e.g., a Bayesian network), while the raw data distribution is approximated by a collection of low-dimensional marginals. Differential privacy (DP) is guaranteed by introducing random noise to each low-dimensional marginal distribution. Despite its promising performance in practice, the statistical properties of marginal-based methods are rarely studied in the literature. In this paper, we study DP data synthesis algorithms based on Bayesian networks (BN) from a statistical perspective. We establish a rigorous accuracy guarantee for BN-based algorithms, where the errors are measured by the total variation (TV) distance or the $L^2$ distance. Related to downstream machine learning tasks, an upper bound for the utility error of the DP synthetic data is also derived. To complete the picture, we establish a lower bound for TV accuracy that holds for every $ε$-DP synthetic data generator.
Population-size-Aware Policy Optimization for Mean-Field Games
Venue: Conference ICLR 2023
Year: 2023

In this work, we attempt to bridge the two fields of finite-agent and infinite-agent games, by studying how the optimal policies of agents evolve with the number of agents (population size) in mean-field games, an agent-centric perspective in contrast to the existing works focusing typically on the convergence of the empirical distribution of the population. To this end, the premise is to obtain the optimal policies of a set of finite-agent games with different population sizes. However, either deriving the closed-form solution for each game is theoretically intractable, training a distinct policy for each game is computationally intensive, or directly applying the policy trained in a game to other games is sub-optimal. We address these challenges through the Population-size-Aware Policy Optimization (PAPO). Our contributions are three-fold. First, to efficiently generate efficient policies for games with different population sizes, we propose PAPO, which unifies two natural options (augmentation and hypernetwork) and achieves significantly better performance. PAPO consists of three components: i) the population-size encoding which transforms the original value of population size to an equivalent encoding to avoid training collapse, ii) a hypernetwork to generate a distinct policy for each game conditioned on the population size, and iii) the population size as an additional input to the generated policy. Next, we construct a multi-task-based training procedure to efficiently train the neural networks of PAPO by sampling data from multiple games with different population sizes. Finally, extensive experiments on multiple environments show the significant superiority of PAPO over baselines, and the analysis of the evolution of the generated policies further deepens our understanding of the two fields of finite-agent and infinite-agent games.
An efficient encoder-decoder architecture with top-down attention for speech separation
Venue: Conference ICLR 2023
Year: 2023

Deep neural networks have shown excellent prospects in speech separation tasks. However, obtaining good results while keeping a low model complexity remains challenging in real-world applications. In this paper, we provide a bio-inspired efficient encoder-decoder architecture by mimicking the brain's top-down attention, called TDANet, with decreased model complexity without sacrificing performance. The top-down attention in TDANet is extracted by the global attention (GA) module and the cascaded local attention (LA) layers. The GA module takes multi-scale acoustic features as input to extract global attention signal, which then modulates features of different scales by direct top-down connections. The LA layers use features of adjacent layers as input to extract the local attention signal, which is used to modulate the lateral input in a top-down manner. On three benchmark datasets, TDANet consistently achieved competitive separation performance to previous state-of-the-art (SOTA) methods with higher efficiency. Specifically, TDANet's multiply-accumulate operations (MACs) are only 5\% of Sepformer, one of the previous SOTA models, and CPU inference time is only 10\% of Sepformer. In addition, a large-size version of TDANet obtained SOTA results on three datasets, with MACs still only 10\% of Sepformer and the CPU inference time only 24\% of Sepformer.
The Lazy Neuron Phenomenon: On Emergence of Activation Sparsity in Transformers
Venue: Conference ICLR 2023
Year: 2023

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by sparse we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.
ZiCo: Zero-shot NAS via inverse Coefficient of Variation on Gradients
Venue: Conference ICLR 2023
Year: 2023

Neural Architecture Search (NAS) is widely used to automatically obtain the neural network with the best performance among a large number of candidate architectures. To reduce the search time, zero-shot NAS aims at designing training-free proxies that can predict the test performance of a given architecture. However, as shown recently, none of the zero-shot proxies proposed to date can actually work consistently better than a naive proxy, namely, the number of network parameters (#Params). To improve this state of affairs, as the main theoretical contribution, we first reveal how some specific gradient properties across different samples impact the convergence rate and generalization capacity of neural networks. Based on this theoretical analysis, we propose a new zero-shot proxy, ZiCo, the first proxy that works consistently better than #Params. We demonstrate that ZiCo works better than State-Of-The-Art (SOTA) proxies on several popular NAS-Benchmarks (NASBench101, NATSBench-SSS/TSS, TransNASBench-101) for multiple applications (e.g., image classification/reconstruction and pixel-level prediction). Finally, we demonstrate that the optimal architectures found via ZiCo are as competitive as the ones found by one-shot and multi-shot NAS methods, but with much less search time. For example, ZiCo-based NAS can find optimal architectures with 78.1%, 79.4%, and 80.4% test accuracy under inference budgets of 450M, 600M, and 1000M FLOPs, respectively, on ImageNet within 0.4 GPU days. Our code is available at https://github.com/SLDGroup/ZiCo.
StableDR: Stabilized Doubly Robust Learning for Recommendation on Data Missing Not at Random
Venue: Conference ICLR 2023
Year: 2023

In recommender systems, users always choose the favorite items to rate, which leads to data missing not at random and poses a great challenge for unbiased evaluation and learning of prediction models. Currently, the doubly robust (DR) methods have been widely studied and demonstrate superior performance. However, in this paper, we show that DR methods are unstable and have unbounded bias, variance, and generalization bounds to extremely small propensities. Moreover, the fact that DR relies more on extrapolation will lead to suboptimal performance. To address the above limitations while retaining double robustness, we propose a stabilized doubly robust (StableDR) learning approach with a weaker reliance on extrapolation. Theoretical analysis shows that StableDR has bounded bias, variance, and generalization error bound simultaneously under inaccurate imputed errors and arbitrarily small propensities. In addition, we propose a novel learning approach for StableDR that updates the imputation, propensity, and prediction models cyclically, achieving more stable and accurate predictions. Extensive experiments show that our approaches significantly outperform the existing methods.
Neural Episodic Control with State Abstraction
Venue: Conference ICLR 2023
Year: 2023

Existing Deep Reinforcement Learning (DRL) algorithms suffer from sample inefficiency. Generally, episodic control-based approaches are solutions that leverage highly-rewarded past experiences to improve sample efficiency of DRL algorithms. However, previous episodic control-based approaches fail to utilize the latent information from the historical behaviors (e.g., state transitions, topological similarities, etc.) and lack scalability during DRL training. This work introduces Neural Episodic Control with State Abstraction (NECSA), a simple but effective state abstraction-based episodic control containing a more comprehensive episodic memory, a novel state evaluation, and a multi-step state analysis. We evaluate our approach to the MuJoCo and Atari tasks in OpenAI gym domains. The experimental results indicate that NECSA achieves higher sample efficiency than the state-of-the-art episodic control-based approaches. Our data and code are available at the project website\footnote{\url{https://sites.google.com/view/drl-necsa}}.
DeCap: Decoding CLIP Latents for Zero-Shot Captioning via Text-Only Training
Venue: Conference ICLR 2023
Year: 2023

Large-scale pre-trained multi-modal models (e.g., CLIP) demonstrate strong zero-shot transfer capability in many discriminative tasks. Their adaptation to zero-shot image-conditioned text generation tasks has drawn increasing interest. Prior arts approach to zero-shot captioning by either utilizing the existing large language models (e.g., GPT-2) or pre-training the encoder-decoder network in an end-to-end manner. In this work, we propose a simple framework, named DeCap, for zero-shot captioning. We introduce a lightweight visual-aware language decoder. This decoder is both data-efficient and computation-efficient: 1) it only requires the text data for training, easing the burden on the collection of paired data. 2) it does not require end-to-end training. When trained with text-only data, the decoder takes the text embedding extracted from the off-the-shelf CLIP encoder as a prefix embedding. The challenge is that the decoder is trained on the text corpus but at the inference stage, it needs to generate captions based on visual inputs. The modality gap issue is widely observed in multi-modal contrastive models that prevents us from directly taking the visual embedding as the prefix embedding. We propose a training-free mechanism to reduce the modality gap. We project the visual embedding into the CLIP text embedding space, while the projected embedding retains the information of the visual input. Taking the projected embedding as the prefix embedding, the decoder generates high-quality descriptions that match the visual input. The experiments show that DeCap outperforms other zero-shot captioning methods and unpaired captioning methods on the typical image captioning benchmarks, i.e., MSCOCO and NoCaps.
When Data Geometry Meets Deep Function: Generalizing Offline Reinforcement Learning
Venue: Conference ICLR 2023
Year: 2023

In offline reinforcement learning (RL), one detrimental issue to policy learning is the error accumulation of deep Q function in out-of-distribution (OOD) areas. Unfortunately, existing offline RL methods are often over-conservative, inevitably hurting generalization performance outside data distribution. In our study, one interesting observation is that deep Q functions approximate well inside the convex hull of training data. Inspired by this, we propose a new method, DOGE (Distance-sensitive Offline RL with better GEneralization). DOGE marries dataset geometry with deep function approximators in offline RL, and enables exploitation in generalizable OOD areas rather than strictly constraining policy within data distribution. Specifically, DOGE trains a state-conditioned distance function that can be readily plugged into standard actor-critic methods as a policy constraint. Simple yet elegant, our algorithm enjoys better generalization compared to state-of-the-art methods on D4RL benchmarks. Theoretical analysis demonstrates the superiority of our approach to existing methods that are solely based on data distribution or support constraints.
HomoDistil: Homotopic Task-Agnostic Distillation of Pre-trained Transformers
Venue: Conference ICLR 2023
Year: 2023

Knowledge distillation has been shown to be a powerful model compression approach to facilitate the deployment of pre-trained language models in practice. This paper focuses on task-agnostic distillation. It produces a compact pre-trained model that can be easily fine-tuned on various tasks with small computational costs and memory footprints. Despite the practical benefits, task-agnostic distillation is challenging. Since the teacher model has a significantly larger capacity and stronger representation power than the student model, it is very difficult for the student to produce predictions that match the teacher's over a massive amount of open-domain training data. Such a large prediction discrepancy often diminishes the benefits of knowledge distillation. To address this challenge, we propose Homotopic Distillation (HomoDistil), a novel task-agnostic distillation approach equipped with iterative pruning. Specifically, we initialize the student model from the teacher model, and iteratively prune the student's neurons until the target width is reached. Such an approach maintains a small discrepancy between the teacher's and student's predictions throughout the distillation process, which ensures the effectiveness of knowledge transfer. Extensive experiments demonstrate that HomoDistil achieves significant improvements on existing baselines.
MultiViz: Towards Visualizing and Understanding Multimodal Models
Venue: Conference ICLR 2023
Year: 2023

The promise of multimodal models for real-world applications has inspired research in visualizing and understanding their internal mechanics with the end goal of empowering stakeholders to visualize model behavior, perform model debugging, and promote trust in machine learning models. However, modern multimodal models are typically black-box neural networks, which makes it challenging to understand their internal mechanics. How can we visualize the internal modeling of multimodal interactions in these models? Our paper aims to fill this gap by proposing MultiViz, a method for analyzing the behavior of multimodal models by scaffolding the problem of interpretability into 4 stages: (1) unimodal importance: how each modality contributes towards downstream modeling and prediction, (2) cross-modal interactions: how different modalities relate with each other, (3) multimodal representations: how unimodal and cross-modal interactions are represented in decision-level features, and (4) multimodal prediction: how decision-level features are composed to make a prediction. MultiViz is designed to operate on diverse modalities, models, tasks, and research areas. Through experiments on 8 trained models across 6 real-world tasks, we show that the complementary stages in MultiViz together enable users to (1) simulate model predictions, (2) assign interpretable concepts to features, (3) perform error analysis on model misclassifications, and (4) use insights from error analysis to debug models. MultiViz is publicly available, will be regularly updated with new interpretation tools and metrics, and welcomes inputs from the community.
MapTR: Structured Modeling and Learning for Online Vectorized HD Map Construction
Venue: Conference ICLR 2023
Year: 2023

High-definition (HD) map provides abundant and precise environmental information of the driving scene, serving as a fundamental and indispensable component for planning in autonomous driving system. We present MapTR, a structured end-to-end Transformer for efficient online vectorized HD map construction. We propose a unified permutation-equivalent modeling approach, i.e., modeling map element as a point set with a group of equivalent permutations, which accurately describes the shape of map element and stabilizes the learning process. We design a hierarchical query embedding scheme to flexibly encode structured map information and perform hierarchical bipartite matching for map element learning. MapTR achieves the best performance and efficiency with only camera input among existing vectorized map construction approaches on nuScenes dataset. In particular, MapTR-nano runs at real-time inference speed ($25.1$ FPS) on RTX 3090, $8\times$ faster than the existing state-of-the-art camera-based method while achieving $5.0$ higher mAP. Even compared with the existing state-of-the-art multi-modality method, MapTR-nano achieves $0.7$ higher mAP, and MapTR-tiny achieves $13.5$ higher mAP and $3\times$ faster inference speed. Abundant qualitative results show that MapTR maintains stable and robust map construction quality in complex and various driving scenes. MapTR is of great application value in autonomous driving. Code and more demos are available at \url{https://github.com/hustvl/MapTR}.
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Venue: Conference ICLR 2023
Year: 2023

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance and rotational equivariance are considered. In this paper, we demonstrate that Transformers can generalize well to 3D atomistic graphs and present Equiformer, a graph neural network leveraging the strength of Transformer architectures and incorporating SE(3)/E(3)-equivariant features based on irreducible representations (irreps). First, we propose a simple and effective architecture by only replacing original operations in Transformers with their equivariant counterparts and including tensor products. Using equivariant operations enables encoding equivariant information in channels of irreps features without complicating graph structures. With minimal modifications to Transformers, this architecture has already achieved strong empirical results. Second, we propose a novel attention mechanism called equivariant graph attention, which improves upon typical attention in Transformers through replacing dot product attention with multi-layer perceptron attention and including non-linear message passing. With these two innovations, Equiformer achieves competitive results to previous models on QM9, MD17 and OC20 datasets.
Sleep Deprivation in the Forward-Forward Algorithm
Venue: Conference ICLR 2023
Year: 2023

This paper aims to explore the separation of the two forward passes in the Forward-Forward algorithm from a biological perspective in the context of sleep. We show the size of the gap between the sleep and awake phase influences the learning capabilities of the algorithm and highlight the importance of negative data in diminishing the devastating effects of sleep deprivation.