mtybilly/Instruct2DS huggingface dataset:
EvGGS: A Collaborative Learning Framework for Event-based Generalizable Gaussian Splatting
Authors: Wang, Jiaxu and He, Junhao and Zhang, Ziyi and Sun, Mingyuan and Sun, Jingkai and Xu, Renjing
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Tao and Herbert, Sylvia Lee and Gao, Sicun
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Rui and Hofgard, Elyssa and Gao, Han and Walters, Robin and Smidt, Tess
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Xiaoxuan and Hu, Ziniu and Lu, Pan and Zhu, Yanqiao and Zhang, Jieyu and Subramaniam, Satyen and Loomba, Arjun R and Zhang, Shichang and Sun, Yizhou and Wang, Wei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Wenjie and Huang, Biwei and Liu, Feng and You, Xinge and Liu, Tongliang and Zhang, Kun and Gong, Mingming
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Raymond and Hwang, Jaedong and Boopathy, Akhilan and Fiete, Ila R
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Wei and Ishida, Takashi and Zhang, Yu-Jie and Niu, Gang and Sugiyama, Masashi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Wenshuo and Janson, Lucas and Lei, Lihua and Ramdas, Aaditya
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Zhijie and Jiang, Bo and Li, Shuai
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Jian and Lan, Xin and Tian, Yuxin and Lv, Jiancheng
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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 <b>m</b>ulti-<b>s</b>cale <b>s</b>tructural <b>s</b>elf-<b>d</b>issimilarity (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: Wang, Shida and Li, Qianxiao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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: Wang, Yaoming and Li, Jin and Dai, Wenrui and Shi, Bowen and Zhang, Xiaopeng and Li, Chenglin and Xiong, Hongkai
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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 <b>B</b>ootstrap auto-<b>e</b>ncoders with <b>C</b>ontrastive p<b>a</b>radigm (<b>BeCa</b>), 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: Wang, Yuhui and Li, Weida and Faccio, Francesco and Wu, Qingyuan and Schmidhuber, Jürgen
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: 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.
Improving Generalization in Offline Reinforcement Learning via Adversarial Data Splitting
Authors: Wang, Da and Li, Lin and Wei, Wei and Yu, Qixian and Hao, Jianye and Liang, Jiye
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Offline Reinforcement Learning (RL) commonly suffers from the out-of-distribution (OOD) overestimation issue due to the distribution shift. Prior work gradually shifts their focus from suppressing OOD overestimation to avoiding overly conservative learning from suboptimal behavior policies to improve generalization. However, most approaches explicitly delimit boundaries for OOD actions based on the support in the dataset, which can potentially impede the data near these boundaries from acquiring realistic estimates. This paper investigates how to loosen the rigid demarcation of OOD boundaries, adaptively extracting knowledge from empirical data to implicitly improve the model’s generalization to nearby unseen data. We introduce an adversarial data splitting (ADS) framework that enforces the model to generalize the distribution shifts simulated from the train/validation subsets splitting of the dataset. Specifically, ADS is modeled as a min-max optimization problem inspired by meta-learning and solved by iterating over the following two steps. First, we train the model on the train-subset to minimize its loss on the validation-subset. Then, we adversarially generate the "hardest" train/validation subsets with the maximum distribution shift, making the model incapable of generalization at that splitting. We derive a generalization error bound for theoretically understanding ADS and verify the effectiveness with extensive experiments. Code is available at https://github.com/DkING-lv6/ADS.
Visual Transformer with Differentiable Channel Selection: An Information Bottleneck Inspired Approach
Authors: Wang, Yancheng and Li, Ping and Yang, Yingzhen
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Self-attention and transformers have been widely used in deep learning. Recent efforts have been devoted to incorporating transformer blocks into different types of neural architectures, including those with convolutions, leading to various visual transformers for computer vision tasks. In this paper, we propose a novel and compact transformer block, Transformer with Differentiable Channel Selection, or DCS-Transformer. DCS-Transformer features channel selection in the computation of the attention weights and the input/output features of the MLP in the transformer block. Our DCS-Transformer is compatible with many popular and compact transformer networks, such as MobileViT and EfficientViT, and it reduces the FLOPs of the visual transformers while maintaining or even improving the prediction accuracy. In the experiments, we replace all the transformer blocks in MobileViT and EfficientViT with DCS-Transformer blocks, leading to DCS-Transformer networks with different backbones. The DCS-Transformer is motivated by reduction of Information Bottleneck, and a novel variational upper bound for the IB loss which can be optimized by SGD is derived and incorporated into the training loss of the network with DCS-Transformer. Extensive results on image classification and object detection evidence that DCS-Transformer renders compact and efficient visual transformers with comparable or much better prediction accuracy than the original visual transformers. The code of DCS-Transformer is available at https://github.com/Statistical-Deep-Learning/DCS-Transformer.
An Iterative Min-Min Optimization Method for Sparse Bayesian Learning
Authors: Wang, Yasen and Li, Junlin and Yue, Zuogong and Yuan, Ye
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: As a well-known machine learning algorithm, sparse Bayesian learning (SBL) can find sparse representations in linearly probabilistic models by imposing a sparsity-promoting prior on model coefficients. However, classical SBL algorithms lack the essential theoretical guarantees of global convergence. To address this issue, we propose an iterative Min-Min optimization method to solve the marginal likelihood function (MLF) of SBL based on the concave-convex procedure. The method can optimize the hyperparameters related to both the prior and noise level analytically at each iteration by re-expressing MLF using auxiliary functions. Particularly, we demonstrate that the method globally converges to a local minimum or saddle point of MLF. With rigorous theoretical guarantees, the proposed novel SBL algorithm outperforms classical ones in finding sparse representations on simulation and real-world examples, ranging from sparse signal recovery to system identification and kernel regression.
Graph As Point Set
Authors: Wang, Xiyuan and Li, Pan and Zhang, Muhan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to encode the interconnections. In contrast, this paper introduces a novel graph-to-set conversion method that bijectively transforms interconnected nodes into a set of independent points and then uses a set encoder to learn the graph representation. This conversion method holds dual significance. Firstly, it enables using set encoders to learn from graphs, thereby significantly expanding the design space of GNNs. Secondly, for Transformer, a specific set encoder, we provide a novel and principled approach to inject graph information losslessly, different from all the heuristic structural/positional encoding methods adopted in previous graph transformers. To demonstrate the effectiveness of our approach, we introduce Point Set Transformer (PST), a transformer architecture that accepts a point set converted from a graph as input. Theoretically, PST exhibits superior expressivity for both short-range substructure counting and long-range shortest path distance tasks compared to existing GNNs. Extensive experiments further validate PST’s outstanding real-world performance. Besides Transformer, we also devise a Deepset-based set encoder, which achieves performance comparable to representative GNNs, affirming the versatility of our graph-to-set method.
Open Ad Hoc Teamwork with Cooperative Game Theory
Authors: Wang, Jianhong and Li, Yang and Zhang, Yuan and Pan, Wei and Kaski, Samuel
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Ad hoc teamwork poses a challenging problem, requiring the design of an agent to collaborate with teammates without prior coordination or joint training. Open ad hoc teamwork (OAHT) further complicates this challenge by considering environments with a changing number of teammates, referred to as open teams. One promising solution in practice to this problem is leveraging the generalizability of graph neural networks to handle an unrestricted number of agents with various agent-types, named graph-based policy learning (GPL). However, its joint Q-value representation over a coordination graph lacks convincing explanations. In this paper, we establish a new theory to understand the representation of the joint Q-value for OAHT and its learning paradigm, through the lens of cooperative game theory. Building on our theory, we propose a novel algorithm named CIAO, based on GPL’s framework, with additional provable implementation tricks that can facilitate learning. The demos of experimental results are available on https://sites.google.com/view/ciao2024, and the code of experiments is published on https://github.com/hsvgbkhgbv/CIAO.
Connecting the Dots: Collaborative Fine-tuning for Black-Box Vision-Language Models
Authors: Wang, Zhengbo and Liang, Jian and He, Ran and Wang, Zilei and Tan, Tieniu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: With the emergence of pretrained vision-language models (VLMs), considerable efforts have been devoted to fine-tuning them for downstream tasks. Despite the progress made in designing efficient fine-tuning methods, such methods require access to the model’s parameters, which can be challenging as model owners often opt to provide their models as a black box to safeguard model ownership. This paper proposes a <b>C</b>ollabo<b>ra</b>tive <b>F</b>ine-<b>T</b>uning (<b>CraFT</b>) approach for fine-tuning black-box VLMs to downstream tasks, where one only has access to the input prompts and the output predictions of the model. CraFT comprises two modules, a prompt generation module for learning text prompts and a prediction refinement module for enhancing output predictions in residual style. Additionally, we introduce an auxiliary prediction-consistent loss to promote consistent optimization across these modules. These modules are optimized by a novel collaborative training algorithm. Extensive experiments on few-shot classification over 15 datasets demonstrate the superiority of CraFT. The results show that CraFT achieves a decent gain of about 12% with 16-shot datasets and only 8,000 queries. Moreover, CraFT trains faster and uses only about 1/80 of the memory footprint for deployment, while sacrificing only 1.62% compared to the white-box method. Our code is publicly available at https://github.com/mrflogs/CraFT.
Bridging Data Gaps in Diffusion Models with Adversarial Noise-Based Transfer Learning
Authors: Wang, Xiyu and Lin, Baijiong and Liu, Daochang and Chen, Ying-Cong and Xu, Chang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Diffusion Probabilistic Models (DPMs) show significant potential in image generation, yet their performance hinges on having access to large datasets. Previous works, like Generative Adversarial Networks (GANs), have tackled the limited data problem by transferring pre-trained models learned with sufficient data. However, those methods are hard to be utilized in DPMs since the distinct differences between DPM-based and GAN-based methods, showing in the unique iterative denoising process integral and the need for many timesteps with no-targeted noise in DPMs. In this paper, we propose a novel DPMs-based transfer learning method, ANT, to address the limited data problem. It includes two strategies: similarity-guided training, which boosts transfer with a classifier, and adversarial noise selection which adaptively chooses targeted noise based on the input image. Extensive experiments in the context of few-shot image generation tasks demonstrate that our method is not only efficient but also excels in terms of image quality and diversity when compared to existing GAN-based and DDPM-based methods.
Helpful or Harmful Data? Fine-tuning-free Shapley Attribution for Explaining Language Model Predictions
Authors: Wang, Jingtan and Lin, Xiaoqiang and Qiao, Rui and Foo, Chuan-Sheng and Low, Bryan Kian Hsiang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The increasing complexity of foundational models underscores the necessity for explainability, particularly for fine-tuning, the most widely used training method for adapting models to downstream tasks. Instance attribution, one type of explanation, attributes the model prediction to each training example by an instance score. However, the robustness of instance scores, specifically towards dataset resampling, has been overlooked. To bridge this gap, we propose a notion of robustness on the sign of the instance score. We theoretically and empirically demonstrate that the popular leave-one-out-based methods lack robustness, while the Shapley value behaves significantly better, but at a higher computational cost. Accordingly, we introduce an efficient fine-tuning-free approximation of the Shapley value (FreeShap) for instance attribution based on the neural tangent kernel. We empirically demonstrate that FreeShap outperforms other methods for instance attribution and other data-centric applications such as data removal, data selection, and wrong label detection, and further generalize our scale to large language models (LLMs). Our code is available at https://github.com/JTWang2000/FreeShap.
On Discrete Prompt Optimization for Diffusion Models
Authors: Wang, Ruochen and Liu, Ting and Hsieh, Cho-Jui and Gong, Boqing
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper introduces the first gradient-based framework for prompt optimization in text-to-image diffusion models. We formulate prompt engineering as a discrete optimization problem over the language space. Two major challenges arise in efficiently finding a solution to this problem: (1) Enormous Domain Space: Setting the domain to the entire language space poses significant difficulty to the optimization process. (2) Text Gradient: Efficiently computing the text gradient is challenging, as it requires backpropagating through the inference steps of the diffusion model and a non-differentiable embedding lookup table. Beyond the problem formulation, our main technical contributions lie in solving the above challenges. First, we design a family of dynamically generated compact subspaces comprised of only the most relevant words to user input, substantially restricting the domain space. Second, we introduce “Shortcut Text Gradient" — an effective replacement for the text gradient that can be obtained with constant memory and runtime. Empirical evaluation on prompts collected from diverse sources (DiffusionDB, ChatGPT, COCO) suggests that our method can discover prompts that substantially improve (prompt enhancement) or destroy (adversarial attack) the faithfulness of images generated by the text-to-image diffusion model.
A Global Geometric Analysis of Maximal Coding Rate Reduction
Authors: Wang, Peng and Liu, Huikang and Pai, Druv and Yu, Yaodong and Zhu, Zhihui and Qu, Qing and Ma, Yi
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The maximal coding rate reduction (MCR$^2$) objective for learning structured and compact deep representations is drawing increasing attention, especially after its recent usage in the derivation of fully explainable and highly effective deep network architectures. However, it lacks a complete theoretical justification: only the properties of its global optima are known, and its global landscape has not been studied. In this work, we give a complete characterization of the properties of all its local and global optima as well as other types of critical points. Specifically, we show that each (local or global) maximizer of the MCR$^2$ problem corresponds to a low-dimensional, discriminative, and diverse representation, and furthermore, each critical point of the objective is either a local maximizer or a strict saddle point. Such a favorable landscape makes MCR$^2$ a natural choice of objective for learning diverse and discriminative representations via first-order optimization. To further verify our theoretical findings, we illustrate these properties with extensive experiments on both synthetic and real data sets.
EfficientZero V2: Mastering Discrete and Continuous Control with Limited Data
Authors: Wang, Shengjie and Liu, Shaohuai and Ye, Weirui and You, Jiacheng and Gao, Yang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Sample efficiency remains a crucial challenge in applying Reinforcement Learning (RL) to real-world tasks. While recent algorithms have made significant strides in improving sample efficiency, none have achieved consistently superior performance across diverse domains. In this paper, we introduce EfficientZero V2, a general framework designed for sample-efficient RL algorithms. We have expanded the performance of EfficientZero to multiple domains, encompassing both continuous and discrete actions, as well as visual and low-dimensional inputs. With a series of improvements we propose, EfficientZero V2 outperforms the current state-of-the-art (SoTA) by a significant margin in diverse tasks under the limited data setting. EfficientZero V2 exhibits a notable advancement over the prevailing general algorithm, DreamerV3, achieving superior outcomes in 50 of 66 evaluated tasks across multiple benchmarks, including Atari 100k, Proprio Control, and Vision Control.
A Dual-module Framework for Counterfactual Estimation over Time
Authors: Wang, Xin and Lyu, Shengfei and Yang, Lishan and Zhan, Yibing and Chen, Huanhuan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Efficiently and effectively estimating counterfactuals over time is crucial for optimizing treatment strategies. We present the Adversarial Counterfactual Temporal Inference Network (ACTIN), a novel framework with dual modules to enhance counterfactual estimation. The balancing module employs a distribution-based adversarial method to learn balanced representations, extending beyond the limitations of current classification-based methods to mitigate confounding bias across various treatment types. The integrating module adopts a novel Temporal Integration Predicting (TIP) strategy, which has a wider receptive field of treatments and balanced representations from the beginning to the current time for a more profound level of analysis. TIP goes beyond the established Direct Predicting (DP) strategy, which only relies on current treatments and representations, by empowering the integrating module to effectively capture long-range dependencies and temporal treatment interactions. ACTIN exceeds the confines of specific base models, and when implemented with simple base models, consistently delivers state-of-the-art performance and efficiency across both synthetic and real-world datasets.
MC-GTA: Metric-Constrained Model-Based Clustering using Goodness-of-fit Tests with Autocorrelations
Authors: Wang, Zhangyu and Mai, Gengchen and Janowicz, Krzysztof and Lao, Ni
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A wide range of (multivariate) temporal (1D) and spatial (2D) data analysis tasks, such as grouping vehicle sensor trajectories, can be formulated as clustering with given metric constraints. Existing metric-constrained clustering algorithms overlook the rich correlation between feature similarity and metric distance, i.e., metric autocorrelation. The model-based variations of these clustering algorithms (e.g. TICC and STICC) achieve SOTA performance, yet suffer from computational instability and complexity by using a metric-constrained Expectation-Maximization procedure. In order to address these two problems, we propose a novel clustering algorithm, MC-GTA (<b>M</b>odel-based <b>C</b>lustering via <b>G</b>oodness-of-fit <b>T</b>ests with <b>A</b>utocorrelations). Its objective is only composed of pairwise weighted sums of feature similarity terms (square Wasserstein-2 distance) and metric autocorrelation terms (a novel multivariate generalization of classic semivariogram). We show that MC-GTA is effectively minimizing the total hinge loss for intra-cluster observation pairs not passing goodness-of-fit tests, i.e., statistically not originating from the same distribution. Experiments on 1D/2D synthetic and real-world datasets demonstrate that MC-GTA successfully incorporates metric autocorrelation. It outperforms strong baselines by large margins (up to 14.3% in ARI and 32.1% in NMI) with faster and stabler optimization ($>$10x speedup).
EvoluNet: Advancing Dynamic Non-IID Transfer Learning on Graphs
Authors: Wang, Haohui and Mao, Yuzhen and Yan, Yujun and Yang, Yaoqing and Sun, Jianhui and Choi, Kevin and Veeramani, Balaji and Hu, Alison and Bowen, Edward and Cody, Tyler and Zhou, Dawei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Non-IID transfer learning on graphs is crucial in many high-stakes domains. The majority of existing works assume stationary distribution for both source and target domains. However, real-world graphs are intrinsically dynamic, presenting challenges in terms of domain evolution and dynamic discrepancy between source and target domains. To bridge the gap, we shift the problem to the dynamic setting and pose the question: given the <em>label-rich</em> source graphs and the <em>label-scarce</em> target graphs both observed in previous $T$ timestamps, how can we effectively characterize the evolving domain discrepancy and optimize the generalization performance of the target domain at the incoming $T+1$ timestamp? To answer it, we propose a generalization bound for <em>dynamic non-IID transfer learning on graphs</em>, which implies the generalization performance is dominated by domain evolution and domain discrepancy between source and target graphs. Inspired by the theoretical results, we introduce a novel generic framework named EvoluNet. It leverages a transformer-based temporal encoding module to model temporal information of the evolving domains and then uses a dynamic domain unification module to efficiently learn domain-invariant representations across the source and target domains. Finally, EvoluNet outperforms the state-of-the-art models by up to 12.1%, demonstrating its effectiveness in transferring knowledge from dynamic source graphs to dynamic target graphs.
Achieving Margin Maximization Exponentially Fast via Progressive Norm Rescaling
Authors: Wang, Mingze and Min, Zeping and Wu, Lei
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this work, we investigate the margin-maximization bias exhibited by gradient-based algorithms in classifying linearly separable data. We present an in-depth analysis of the specific properties of the velocity field associated with (normalized) gradients, focusing on their role in margin maximization. Inspired by this analysis, we propose a novel algorithm called Progressive Rescaling Gradient Descent (PRGD) and show that PRGD can maximize the margin at an <em>exponential rate</em>. This stands in stark contrast to all existing algorithms, which maximize the margin at a slow <em>polynomial rate</em>. Specifically, we identify mild conditions on data distribution under which existing algorithms such as gradient descent (GD) and normalized gradient descent (NGD) <em>provably fail</em> in maximizing the margin efficiently. To validate our theoretical findings, we present both synthetic and real-world experiments. Notably, PRGD also shows promise in enhancing the generalization performance when applied to linearly non-separable datasets and deep neural networks.
Transforming and Combining Rewards for Aligning Large Language Models
Authors: Wang, Zihao and Nagpal, Chirag and Berant, Jonathan and Eisenstein, Jacob and D'Amour, Alexander Nicholas and Koyejo, Sanmi and Veitch, Victor
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A common approach for aligning language models to human preferences is to first learn a reward model from preference data, and then use this reward model to update the language model. We study two closely related problems that arise in this approach. First, any monotone transformation of the reward model preserves preference ranking; is there a choice that is "better" than others? Second, we often wish to align language models to multiple properties: how should we combine multiple reward models? Using a probabilistic interpretation of the alignment procedure, we identify a natural choice for transformation for (the common case of) rewards learned from Bradley-Terry preference models. The derived transformation is straightforward: we apply a log-sigmoid function to the centered rewards, a method we term "LSC-transformation" (log-sigmoid-centered transformation). This transformation has two important properties. First, it emphasizes improving poorly-performing outputs, rather than outputs that already score well. This mitigates both underfitting (where some prompts are not improved) and reward hacking (where the model learns to exploit misspecification of the reward model). Second, it enables principled aggregation of rewards by linking summation to logical conjunction: the sum of transformed rewards corresponds to the probability that the output is "good" in all measured properties, in a sense we make precise. Experiments aligning language models to be both helpful and harmless using RLHF show substantial improvements over the baseline (non-transformed) approach.
TroVE: Inducing Verifiable and Efficient Toolboxes for Solving Programmatic Tasks
Authors: Wang, Zhiruo and Neubig, Graham and Fried, Daniel
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Language models (LMs) can solve tasks such as answering questions about tables or images by writing programs. However, using primitive functions often leads to verbose and error-prone programs, and higher-level functions require expert design. To enable better solutions without human labor, we ask code LMs to curate reusable high-level functions, and use them to write solutions. We present TROVE, a training-free method of inducing a verifiable and efficient toolbox of functions, by generating via using, growing, and periodically trimming the toolbox. On 11 datasets from math, table question answering, and image reasoning tasks, TROVE consistently yields simpler solutions with higher accuracy than baselines using CodeLLaMa and previous methods using GPT, while using 79-98% smaller toolboxes. TROVE further enables 31% faster and 13% more accurate human verification than baselines. With the same pipeline, it creates diverse functions for varied tasks and datasets, providing insights into their individual characteristics.
More Benefits of Being Distributional: Second-Order Bounds for Reinforcement Learning
Authors: Wang, Kaiwen and Oertell, Owen and Agarwal, Alekh and Kallus, Nathan and Sun, Wen
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this paper, we prove that Distributional Reinforcement Learning (DistRL), which learns the return distribution, can obtain second-order bounds in both online and offline RL in general settings with function approximation. Second-order bounds are instance-dependent bounds that scale with the variance of return, which we prove are tighter than the previously known small-loss bounds of distributional RL. To the best of our knowledge, our results are the first second-order bounds for low-rank MDPs and for offline RL. When specializing to contextual bandits (one-step RL problem), we show that a distributional learning based optimism algorithm achieves a second-order worst-case regret bound, and a second-order gap dependent bound, simultaneously. We also empirically demonstrate the benefit of DistRL in contextual bandits on real-world datasets. We highlight that our analysis with DistRL is relatively simple, follows the general framework of optimism in the face of uncertainty and does not require weighted regression. Our results suggest that DistRL is a promising framework for obtaining second-order bounds in general RL settings, thus further reinforcing the benefits of DistRL.