DeepNLP/ICML-2024-Accepted-Papers huggingface dataset:
Optimal Kernel Quantile Learning with Random Features
Authors: Caixing Wang, Xingdong Feng

The random feature (RF) approach is a well-established and efficient tool for scalable kernel methods, but existing literature has primarily focused on kernel ridge regression with random features (KRR-RF), which has limitations in handling heterogeneous data with heavy-tailed noises. This paper presents a generalization study of kernel quantile regression with random features (KQR-RF), which accounts for the non-smoothness of the check loss in KQR-RF by introducing a refined error decomposition and establishing a novel connection between KQR-RF and KRR-RF. Our study establishes the capacity-dependent learning rates for KQR-RF under mild conditions on the number of RFs, which are minimax optimal up to some logarithmic factors. Importantly, our theoretical results, utilizing a data-dependent sampling strategy, can be extended to cover the agnostic setting where the target quantile function may not precisely align with the assumed kernel space. By slightly modifying our assumptions, the capacity-dependent error analysis can also be applied to cases with Lipschitz continuous losses, enabling broader applications in the machine learning community. To validate our theoretical findings, simulated experiments and a real data application are conducted.
MEMORYLLM: Towards Self-Updatable Large Language Models
Authors: Yu Wang, Yifan Gao, Xiusi Chen, Haoming Jiang, Shiyang Li, Jingfeng Yang, Qingyu Yin, Zheng Li, Xian Li, Bing Yin, Jingbo Shang, Julian Mcauley

Existing Large Language Models (LLMs) usually remain static after deployment, which might make it hard to inject new knowledge into the model. We aim to build models containing a considerable portion of self-updatable parameters, enabling the model to integrate new knowledge effectively and efficiently. To this end, we introduce MEMORYLLM, a model that comprises a transformer and a fixed-size memory pool within the latent space of the transformer. MEMORYLLM can self-update with text knowledge and memorize the knowledge injected earlier. Our evaluations demonstrate the ability of MEMORYLLM to effectively incorporate new knowledge, as evidenced by its performance on model editing benchmarks. Meanwhile, the model exhibits long-term information retention capacity, which is validated through our custom-designed evaluations and long-context benchmarks. MEMORYLLM also shows operational integrity without any sign of performance degradation even after nearly a million memory updates. Our code and model are open-sourced at https://github.com/wangyu-ustc/MemoryLLM.
Identification and Estimation for Nonignorable Missing Data: A Data Fusion Approach
Authors: Zixiao Wang, Amiremad Ghassami, Ilya Shpitser

We consider the task of identifying and estimating a parameter of interest in settings where data is missing not at random (MNAR). In general, such parameters are not identified without strong assumptions on the missing data model. In this paper, we take an alternative approach and introduce a method inspired by data fusion, where information in the MNAR dataset is augmented by information in an auxiliary dataset subject to missingness at random (MAR). We show that even if the parameter of interest cannot be identified given either dataset alone, it can be identified given pooled data, under two complementary sets of assumptions. We derive inverse probability weighted (IPW) estimators for identified parameters under both sets of assumptions, and evaluate the performance of our estimation strategies via simulation studies, and a data application.
Understanding Heterophily for Graph Neural Networks
Authors: Junfu Wang, Yuanfang Guo, Liang Yang, Yunhong Wang

Graphs with heterophily have been regarded as challenging scenarios for Graph Neural Networks (GNNs), where nodes are connected with dissimilar neighbors through various patterns. In this paper, we present theoretical understandings of heterophily for GNNs by incorporating the graph convolution (GC) operations into fully connected networks via the proposed Heterophilous Stochastic Block Models (HSBM), a general random graph model that can accommodate diverse heterophily patterns. Our theoretical investigation comprehensively analyze the impact of heterophily from three critical aspects. Firstly, for the impact of different heterophily patterns, we show that the separability gains are determined by two factors, i.e., the Euclidean distance of the neighborhood distributions and $\sqrt{\mathbb{E}\left[\operatorname{deg}\right]}$, where $\mathbb{E}\left[\operatorname{deg}\right]$ is the averaged node degree. Secondly, we show that the neighborhood inconsistency has a detrimental impact on separability, which is similar to degrading $\mathbb{E}\left[\operatorname{deg}\right]$ by a specific factor. Finally, for the impact of stacking multiple layers, we show that the separability gains are determined by the normalized distance of the $l$-powered neighborhood distributions, indicating that nodes still possess separability in various regimes, even when over-smoothing occurs. Extensive experiments on both synthetic and real-world data verify the effectiveness of our theory.
Momentum for the Win: Collaborative Federated Reinforcement Learning across Heterogeneous Environments
Authors: Han Wang, Sihong He, Zhili Zhang, Fei Miao, James Anderson

We explore a Federated Reinforcement Learning (FRL) problem where $N$ agents collaboratively learn a common policy without sharing their trajectory data. To date, existing FRL work has primarily focused on agents operating in the same or “similar" environments. In contrast, our problem setup allows for arbitrarily large levels of environment heterogeneity. To obtain the optimal policy which maximizes the average performance across all potentially completely different environments, we propose two algorithms: FedSVRPG-M and FedHAPG-M. In contrast to existing results, we demonstrate that both FedSVRPG-M and FedHAPG-M, both of which leverage momentum mechanisms, can exactly converge to a stationary point of the average performance function, regardless of the magnitude of environment heterogeneity. Furthermore, by incorporating the benefits of variance-reduction techniques or Hessian approximation, both algorithms achieve state-of-the-art convergence results, characterized by a sample complexity of $\mathcal{O}\left(\epsilon^{-\frac{3}{2}}/N\right)$. Notably, our algorithms enjoy linear convergence speedups with respect to the number of agents, highlighting the benefit of collaboration among agents in finding a common policy.
EvGGS: A Collaborative Learning Framework for Event-based Generalizable Gaussian Splatting
Authors: Jiaxu Wang, Junhao He, Ziyi Zhang, Mingyuan Sun, Jingkai Sun, Renjing Xu

Event cameras offer promising advantages such as high dynamic range and low latency, making them well-suited for challenging lighting conditions and fast-moving scenarios. However, reconstructing 3D scenes from raw event streams is difficult because event data is sparse and does not carry absolute color information. To release its potential in 3D reconstruction, we propose the first event-based generalizable 3D reconstruction framework, which reconstructs scenes as 3D Gaussians from only event input in a feedforward manner and can generalize to unseen cases without any retraining. This framework includes a depth estimation module, an intensity reconstruction module, and a Gaussian regression module. These submodules connect in a cascading manner, and we collaboratively train them with a designed joint loss to make them mutually promote. To facilitate related studies, we build a novel event-based 3D dataset with various material objects and calibrated labels of greyscale images, depth maps, camera poses, and silhouettes. Experiments show models that have jointly trained significantly outperform those trained individually. Our approach performs better than all baselines in reconstruction quality, and depth/intensity predictions with satisfactory rendering speed.
Mollification Effects of Policy Gradient Methods
Authors: Tao Wang, Sylvia Lee Herbert, Sicun Gao

Policy gradient methods have enabled deep reinforcement learning (RL) to approach challenging continuous control problems, even when the underlying systems involve highly nonlinear dynamics that generate complex non-smooth optimization landscapes. We develop a rigorous framework for understanding how policy gradient methods mollify non-smooth optimization landscapes to enable effective policy search, as well as the downside of it: while making the objective function smoother and easier to optimize, the stochastic objective deviates further from the original problem. We demonstrate the equivalence between policy gradient methods and solving backward heat equations. Following the ill-posedness of backward heat equations from PDE theory, we present a fundamental challenge to the use of policy gradient under stochasticity. Moreover, we make the connection between this limitation and the uncertainty principle in harmonic analysis to understand the effects of exploration with stochastic policies in RL. We also provide experimental results to illustrate both the positive and negative aspects of mollification effects in practice.
Discovering Symmetry Breaking in Physical Systems with Relaxed Group Convolution
Authors: Rui Wang, Elyssa Hofgard, Han Gao, Robin Walters, Tess Smidt

Modeling symmetry breaking is essential for understanding the fundamental changes in the behaviors and properties of physical systems, from microscopic particle interactions to macroscopic phenomena like fluid dynamics and cosmic structures. Thus, identifying sources of asymmetry is an important tool for understanding physical systems. In this paper, we focus on learning asymmetries of data using relaxed group convolutions. We provide both theoretical and empirical evidence that this flexible convolution technique allows the model to maintain the highest level of equivariance that is consistent with data and discover the subtle symmetry-breaking factors in various physical systems. We employ various relaxed group convolution architectures to uncover various symmetry-breaking factors that are interpretable and physically meaningful in different physical systems, including the phase transition of crystal structure, the isotropy and homogeneity breaking in turbulent flow, and the time-reversal symmetry breaking in pendulum systems.
SciBench: Evaluating College-Level Scientific Problem-Solving Abilities of Large Language Models
Authors: Xiaoxuan Wang, Ziniu Hu, Pan Lu, Yanqiao Zhu, Jieyu Zhang, Satyen Subramaniam, Arjun R Loomba, Shichang Zhang, Yizhou Sun, Wei Wang

Most existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning capabilities required for solving complex scientific problems, we introduce an expansive benchmark suite SciBench for LLMs. SciBench contains a carefully curated dataset featuring a range of collegiate-level scientific problems from mathematics, chemistry, and physics domains. Based on the dataset, we conduct an in-depth benchmarking study of representative open-source and proprietary LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with the best overall score of merely 43.22%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms the others and some strategies that demonstrate improvements in certain problem-solving skills could result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.
Optimal Kernel Choice for Score Function-based Causal Discovery
Authors: Wenjie Wang, Biwei Huang, Feng Liu, Xinge You, Tongliang Liu, Kun Zhang, Mingming Gong

Score-based methods have demonstrated their effectiveness in discovering causal relationships by scoring different causal structures based on their goodness of fit to the data. Recently, Huang et al. proposed a generalized score function that can handle general data distributions and causal relationships by modeling the relations in reproducing kernel Hilbert space (RKHS). The selection of an appropriate kernel within this score function is crucial for accurately characterizing causal relationships and ensuring precise causal discovery. However, the current method involves manual heuristic selection of kernel parameters, making the process tedious and less likely to ensure optimality. In this paper, we propose a kernel selection method within the generalized score function that automatically selects the optimal kernel that best fits the data. Specifically, we model the generative process of the variables involved in each step of the causal graph search procedure as a mixture of independent noise variables. Based on this model, we derive an automatic kernel selection method by maximizing the marginal likelihood of the variables involved in each search step. We conduct experiments on both synthetic data and real-world benchmarks, and the results demonstrate that our proposed method outperforms heuristic kernel selection methods.
Rapid Learning without Catastrophic Forgetting in the Morris Water Maze
Authors: Raymond Wang, Jaedong Hwang, Akhilan Boopathy, Ila R Fiete

Animals can swiftly adapt to novel tasks, while maintaining proficiency on previously trained tasks. This contrasts starkly with machine learning models, which struggle on these capabilities. We first propose a new task, the sequential Morris Water Maze (sWM), which extends a widely used task in the psychology and neuroscience fields and requires both rapid and continual learning. It has frequently been hypothesized that inductive biases from brains could help build better ML systems, but the addition of constraints typically hurts rather than helping ML performance. We draw inspiration from biology to show that combining 1) a content-addressable heteroassociative memory based on the entorhinal-hippocampal circuit with grid cells that retain shared across-environment structural representations and hippocampal cells that acquire environment-specific information; 2) a spatially invariant convolutional network architecture for rapid adaptation across unfamiliar environments; and 3) the ability to perform remapping, which orthogonalizes internal representations; leads to good generalization, rapid learning, and continual learning without forgetting, respectively. Our model outperforms ANN baselines from continual learning contexts applied to the task. It retains knowledge of past environments while rapidly acquiring the skills to navigate new ones, thereby addressing the seemingly opposing challenges of quick knowledge transfer and sustaining proficiency in previously learned tasks. These biologically motivated results may point the way toward ML algorithms with similar properties.
Learning with Complementary Labels Revisited: The Selected-Completely-at-Random Setting Is More Practical
Authors: Wei Wang, Takashi Ishida, Yu-Jie Zhang, Gang Niu, Masashi Sugiyama

Complementary-label learning is a weakly supervised learning problem in which each training example is associated with one or multiple complementary labels indicating the classes to which it does not belong. Existing consistent approaches have relied on the uniform distribution assumption to model the generation of complementary labels, or on an ordinary-label training set to estimate the transition matrix in non-uniform cases. However, either condition may not be satisfied in real-world scenarios. In this paper, we propose a novel consistent approach that does not rely on these conditions. Inspired by the positive-unlabeled (PU) learning literature, we propose an unbiased risk estimator based on the Selected-Completely-at-Random assumption for complementary-label learning. We then introduce a risk-correction approach to address overfitting problems. Furthermore, we find that complementary-label learning can be expressed as a set of negative-unlabeled binary classification problems when using the one-versus-rest strategy. Extensive experimental results on both synthetic and real-world benchmark datasets validate the superiority of our proposed approach over state-of-the-art methods.
Total Variation Floodgate for Variable Importance Inference in Classification
Authors: Wenshuo Wang, Lucas Janson, Lihua Lei, Aaditya Ramdas

Inferring variable importance is the key goal of many scientific studies, where researchers seek to learn the effect of a feature $X$ on the outcome $Y$ in the presence of confounding variables $Z$. Focusing on classification problems, we define the expected total variation (ETV), which is an intuitive and deterministic measure of variable importance that does not rely on any model assumption. We then introduce algorithms for statistical inference on the ETV under design-based/model-X assumptions. We name our method Total Variation Floodgate in reference to its shared high-level structure with the Floodgate method of Zhang & Janson (2020). The algorithms we introduce can leverage any user-specified regression function and produce asymptotic lower confidence bounds for the ETV. We show the effectiveness of our algorithms with simulations and a case study in conjoint analysis on the US general election.
In-context Learning on Function Classes Unveiled for Transformers
Authors: Zhijie Wang, Bo Jiang, Shuai Li

Transformer-based neural sequence models exhibit a remarkable ability to perform in-context learning. Given some training examples, a pre-trained model can make accurate predictions on an unseen input. This paper studies why transformers can learn different types of function classes in-context. We first show by construction that there exists a family of transformers (with different activation functions) that implement approximate gradient descent on the parameters of neural networks, and we provide an upper bound for the number of heads, hidden dimensions, and layers of the transformer. We also show that a transformer can learn linear functions, the indicator function of a unit ball, and smooth functions in-context by learning neural networks that approximate them. The above instances mainly focus on a transformer pre-trained on single tasks. We also prove that when pre-trained on two tasks: linear regression and classification, a transformer can make accurate predictions on both tasks simultaneously. Our results move beyond linearity in terms of in-context learning instances and provide a comprehensive understanding of why transformers can learn many types of function classes through the bridge of neural networks.
MS$^3$D: A RG Flow-Based Regularization for GAN Training with Limited Data
Authors: Jian Wang, Xin Lan, Yuxin Tian, Jiancheng Lv

Generative adversarial networks (GANs) have made impressive advances in image generation, but they often require large-scale training data to avoid degradation caused by discriminator overfitting. To tackle this issue, we investigate the challenge of training GANs with limited data, and propose a novel regularization method based on the idea of renormalization group (RG) in physics.We observe that in the limited data setting, the gradient pattern that the generator obtains from the discriminator becomes more aggregated over time. In RG context, this aggregated pattern exhibits a high discrepancy from its coarse-grained versions, which implies a high-capacity and sensitive system, prone to overfitting and collapse. To address this problem, we introduce a multi-scale structural self-dissimilarity (MS$^3$D) regularization, which constrains the gradient field to have a consistent pattern across different scales, thereby fostering a more redundant and robust system. We show that our method can effectively enhance the performance and stability of GANs under limited data scenarios, and even allow them to generate high-quality images with very few data.
StableSSM: Alleviating the Curse of Memory in State-space Models through Stable Reparameterization
Authors: Shida Wang, Qianxiao Li

In this paper, we investigate the long-term memory learning capabilities of state-space models (SSMs) from the perspective of parameterization. We prove that state-space models without any reparameterization exhibit a memory limitation similar to that of traditional RNNs: the target relationships that can be stably approximated by state-space models must have an exponential decaying memory. Our analysis identifies this “curse of memory” as a result of the recurrent weights converging to a stability boundary, suggesting that a reparameterization technique can be effective. To this end, we introduce a class of reparameterization techniques for SSMs that effectively lift its memory limitations. Besides improving approximation capabilities, we further illustrate that a principled choice of reparameterization scheme can also enhance optimization stability. We validate our findings using synthetic datasets, language models and image classifications.
Bootstrap AutoEncoders With Contrastive Paradigm for Self-supervised Gaze Estimation
Authors: Yaoming Wang, Jin Li, Wenrui Dai, Bowen Shi, Xiaopeng Zhang, Chenglin Li, Hongkai Xiong

Existing self-supervised methods for gaze estimation using the dominant streams of contrastive and generative approaches are restricted to eye images and could fail in general full-face settings. In this paper, we reveal that contrastive methods are ineffective in data augmentation for self-supervised full-face gaze estimation, while generative methods are prone to trivial solutions due to the absence of explicit regularization on semantic representations. To address this challenge, we propose a novel approach called Bootstrap auto-encoders with Contrastive paradigm (BeCa), which combines the strengths of both generative and contrastive methods. Specifically, we revisit the Auto-Encoder used in generative approaches and incorporate the contrastive paradigm to introduce explicit regularization on gaze representation. Furthermore, we design the InfoMSE loss as an alternative to the vanilla MSE loss for Auto-Encoder to mitigate the inconsistency between reconstruction and representation learning. Experimental results demonstrate that the proposed approaches outperform state-of-the-art unsupervised gaze approaches on extensive datasets (including wild scenes) under both within-dataset and cross-dataset protocols.
Highway Value Iteration Networks
Authors: Yuhui Wang, Weida Li, Francesco Faccio, Qingyuan Wu, Jürgen Schmidhuber

Value iteration networks (VINs) enable end-to-end learning for planning tasks by employing a differentiable "planning module" that approximates the value iteration algorithm. However, long-term planning remains a challenge because training very deep VINs is difficult. To address this problem, we embed highway value iteration—a recent algorithm designed to facilitate long-term credit assignment—into the structure of VINs. This improvement augments the "planning module" of the VIN with three additional components: 1) an "aggregate gate," which constructs skip connections to improve information flow across many layers; 2) an "exploration module," crafted to increase the diversity of information and gradient flow in spatial dimensions; 3) a "filter gate" designed to ensure safe exploration. The resulting novel highway VIN can be trained effectively with hundreds of layers using standard backpropagation. In long-term planning tasks requiring hundreds of planning steps, deep highway VINs outperform both traditional VINs and several advanced, very deep NNs.