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Theory · Reinforcement Learning and Planning

Audrey Huang, Nan Jiang

Occupancy functions play an instrumental role in reinforcement learning (RL) for guiding exploration, handling distribution shift, and optimizing general objectives beyond the expected return. Yet, computationally efficient policy optimization methods that use (only) occupancy functions are virtually non-existent. In this paper, we establish the theoretical foundations of model-free policy gradient (PG) methods that compute the gradient through the occupancy for both online and offline RL, without modeling value functions. Our algorithms reduce gradient estimation to squared-loss regression and are computationally oracle-efficient. We characterize the sample complexities of both local and global convergence, accounting for both finite-sample estimation error and the roles of exploration (online) and data coverage (offline). Occupancy-based PG naturally handles arbitrary offline data distributions, and, with one-line algorithmic changes, can be adapted to optimize any differentiable objective functional.

Graph Neural Networks

Tomas Rigaux, Hisashi Kashima

Mastering games is a hard task, as games can be extremely complex, and still fundamentally different in structure from one another. While the AlphaZero algorithm has demonstrated an impressive ability to learn the rules and strategy of a large variety of games, ranging from Go and Chess, to Atari games, its reliance on extensive computational resources and rigid Convolutional Neural Network (CNN) architecture limits its adaptability and scalability. A model trained to play on a $19\times 19$ Go board cannot be used to play on a smaller $13\times 13$ board, despite the similarity between the two Go variants.In this paper, we focus on Chess, and explore using a more generic Graph-based Representation of a game state, rather than a grid-based one, to introduce a more general architecture based on Graph Neural Networks (GNN). We also expand the classical Graph Attention Network (GAT) layer to incorporate edge-features, to naturally provide a generic policy output format.Our experiments, performed on smaller networks than the initial AlphaZero paper, show that this new architecture outperforms previous architectures with a similar number of parameters, being able to increase playing strength an order of magnitude faster. We also show that the model, when trained on a smaller $5\times 5$ variant of chess, is able to be quickly fine-tuned to play on regular $8\times 8$ chess, suggesting that this approach yields promising generalization abilities.Our code is available at https://github.com/akulen/AlphaGateau.

Trustworthy Machine Learning

Eva Giboulot, Teddy Furon

Watermarking is a technical means to dissuade malfeasant usage of Large Language Models.This paper proposes a novel watermarking scheme, so-called WaterMax, that enjoys high detectability while sustaining the quality of the generated text of the original LLM.Its new design leaves the LLM untouched (no modification of the weights, logits or temperature).WaterMax balances robustness and computational complexity contrary to the watermarking techniques of the literature inherently provoking a trade-off between quality and robustness.Its performance is both theoretically proven and experimentally validated.It outperforms all the SotA techniques under the most complete benchmark suite.

Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Adrian Bulat, Yassine Ouali, Georgios Tzimiropoulos

Current post-training quantization methods for LLMs compress the weights down to 4-bits, with moderate to low degradation in accuracy. However, further reducing the number of bits or accelerating the network while avoiding large accuracy drops, especially for smaller, sub 7B models, remains an actively researched and open problem. To address this, in this work, we introduce Quantization with Binary Bases (QBB), a new approach for low-bit quantization that effectively removes (nearly) all multiplications, reducing the implementation to summations. Our novel approach works by decomposing the original weights into a set of binary (1-bit) matrices using an iterative process. For a given layer, starting from a weight matrix, we first construct an initial approximation using an analytical solution, where each new binary matrix, paired with a scaling vector, approximates the residual error of the previous estimation. Secondly, using gradient descent and a progressive learning curriculum, we find the optimal set of binary matrices and scaling vectors that minimize the $\ell_2$ distance between the produced approximation and original weights. Thirdly, as previous steps are input agnostic, we holistically optimize the scaling vectors alone, calibrating them in student-teacher fashion, with the teacher providing both the data, by autoregressive generation starting from a random token, and the target logits. When evaluated across multiple LLM families, our approach matches and outperforms all prior works, setting a new state-of-the-art result using a summation-only based approach.

Theory · Statistics

Diyang Li

Conformal prediction converts nearly any point estimator into a prediction interval under standard assumptions while ensuring valid coverage. However, the extensive computational demands of full conformal prediction are daunting in practice, as it necessitates a comprehensive number of trainings across the entire latent label space. Unfortunately, existing efforts to expedite conformalization often carry strong assumptions and are developed specifically for certain models, or they only offer approximate solution sets. To address this gap, we develop a method for fast exact conformalization of generalized statistical estimation. Our analysis reveals that the structure of the solution path is inherently piecewise smooth, and indicates that utilizing second-order information of difference equations suffices to approximate the entire solution spectrum arbitrarily. We provide a unified view that not only encompasses existing work but also attempts to offer geometric insights. Practically, our framework integrates seamlessly with well-studied numerical solvers. The significant speedups of our algorithm as compared to the existing standard methods are demonstrated across numerous benchmarks.

Graph Neural Networks

Michael Galkin, Jincheng Zhou, Bruno Ribeiro, Jian Tang, Zhaocheng Zhu

Complex logical query answering (CLQA) in knowledge graphs (KGs) goes beyond simple KG completion and aims at answering compositional queries comprised of multiple projections and logical operations. Existing CLQA methods that learn parameters bound to certain entity or relation vocabularies can only be applied to the graph they are trained on which requires substantial training time before being deployed on a new graph. Here we present UltraQuery, the first foundation model for inductive reasoning that can zero-shot answer logical queries on any KG. The core idea of UltraQuery is to derive both projections and logical operations as vocabulary-independent functions which generalize to new entities and relations in any KG.With the projection operation initialized from a pre-trained inductive KG completion model, UltraQuery can solve CLQA on any KG after finetuning on a single dataset. Experimenting on 23 datasets, UltraQuery in the zero-shot inference mode shows competitive or better query answering performance than best available baselines and sets a new state of the art on 15 of them.

Theory · Domain Adaptation and Transfer Learning

Hunter Lang, David Sontag, Aravindan Vijayaraghavan

Strong student models can learn from weaker teachers: when trained on the predictions of a weaker model, a strong pretrained student can learn to correct the weak model’s errors and generalize to examples where the teacher is not confident, even when these examples are excluded from training. This enables learning from cheap, incomplete, and possibly incorrect label information, such as coarse logical rules or the generations of a language model. We show that existing weak supervision theory results fail to account for both of these effects, which we call pseudolabel correction and coverage expansion, respectively. We give a new bound based on expansion properties of the data distribution and student hypothesis class that directly accounts for pseudolabel correction and coverage expansion. Our bound generalizes results from the co-training and self-training literature and captures the intuition that weak-to-strong generalization occurs when the mistakes of the weak model are hard for the strong model to fit without incurring additional error. We show that these expansion properties can be checked from finite data and give empirical evidence that they hold in practice.

Reinforcement Learning · Everything Else

Jacob Adkins, Michael Bowling, Adam White

The performance of modern reinforcement learning algorithms critically relieson tuning ever increasing numbers of hyperparameters. Often, small changes ina hyperparameter can lead to drastic changes in performance, and different environments require very different hyperparameter settings to achieve state-of-the-artperformance reported in the literature. We currently lack a scalable and widelyaccepted approach to characterizing these complex interactions. This work proposes a new empirical methodology for studying, comparing, and quantifying thesensitivity of an algorithm’s performance to hyperparameter tuning for a given setof environments. We then demonstrate the utility of this methodology by assessingthe hyperparameter sensitivity of several commonly used normalization variants ofPPO. The results suggest that several algorithmic performance improvements may,in fact, be a result of an increased reliance on hyperparameter tuning.

Generative Models · New Approaches

Qizhen (Irene) Zhang, Nikolas Gritsch, Dwaraknath Gnaneshwar Talupuru, Simon Guo, David Cairuz, Bharat Venkitesh, Jakob Foerster, Phil Blunsom, Sebastian Ruder, Ahmet Üstün 等

Mixture of Experts (MoE) framework has become a popular architecture for large language models due to its superior performance compared to dense models. However, training MoEs from scratch in a large-scale regime is prohibitively expensive. Previous work addresses this challenge by independently training multiple dense expert models and using them to initialize an MoE. In particular, state-of-the-art approaches initialize MoE layers using experts' feed-forward parameters while merging all other parameters, limiting the advantages of the specialized dense models when upcycling them as MoEs. We propose BAM (Branch-Attend-Mix), a simple yet effective improvement to MoE training. BAM makes full use of specialized dense models by not only using their feed-forward network (FFN) to initialize the MoE layers but also leveraging experts' attention weights fully by leveraging them as mixture-of-attention (MoA) layers. We explore two methods for upcycling MoA layers: 1) initializing separate attention experts from dense models including key, value, and query matrices; and 2) initializing only Q projections while sharing key-value pairs across all experts to facilitate efficient inference. Our experiments using seed models ranging from 590 million to 2 billion parameters show that our approach outperforms state-of-the-art approaches under the same data and compute budget in both perplexity and downstream tasks evaluations, confirming the effectiveness of BAM.

Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Eduardo Laber, Miguel Batista

Average-link is widely recognized as one of the most popular and effective methods for building hierarchical agglomerative clustering. The available theoretical analyses show that this method has a much better approximation than other popular heuristics, as single-linkage and complete-linkage, regarding variants of Dasgupta's cost function [STOC 2016]. However, these analyses do not separate average-link from a random hierarchy and they are not appealing for metric spaces since every hierarchical clustering has a $1/2$ approximation with regard to the variant of Dasgupta's functionthat is employed for dissimilarity measures [Moseley and Yang 2020]. In this paper, we present a comprehensive study of the performance of \avglink \, in metric spaces, regarding several natural criteria that capture separability and cohesion, and are more interpretable than Dasgupta's cost function and its variants. We also present experimental results with real datasets that, together with our theoretical analyses, suggest that average-link is a better choice than other related methods when both cohesion and separability are important goals.

Steve Hanneke, Vinod Raman, Amirreza Shaeiri, Unique Subedi

We consider the problem of multiclass transductive online learning when the number of labels can be unbounded. Previous works by Ben-David et al. [1997] and Hanneke et al. [2024] only consider the case of binary and finite label spaces respectively. The latter work determined that their techniques fail to extend to the case of unbounded label spaces, and they pose the question of characterizing the optimal mistake bound for unbounded label spaces. We answer this question, by showing that a new dimension, termed the Level-constrained Littlestone dimension, characterizes online learnability in this setting. Along the way, we show that the trichotomy of possible minimax rates established by Hanneke et al. [2024] for finite label spaces in the realizable setting continues to hold even when the label space is unbounded. In particular, if the learner plays for $T \in \mathbb{N}$ rounds, its minimax expected number of mistakes can only grow like $\Theta(T)$, $\Theta(\log T)$, or $\Theta(1)$. To prove this result, we give another combinatorial dimension, termed the Level-constrained Branching dimension, and show that its finiteness characterizes constant minimax expected mistake-bounds. The trichotomy is then determined by a combination of the Level-constrained Littlestone and Branching dimensions. Quantitatively, our upper bounds improve upon existing multiclass upper bounds in Hanneke et al. [2024] by removing the dependence on the label set size. In doing so, we explicitly construct learning algorithms that can handle extremely large or unbounded label spaces. A key component of our algorithm is a new notion of shattering that exploits the sequential nature of transductive online learning. Finally, we complete our results by proving expected regret bounds in the agnostic setting, extending the result of Hanneke et al. [2024].

Multimodal Models

Chao Yi, Yuhang He, De-Chuan Zhan, Han-Jia Ye

Vision Language Models (VLMs) excel in zero-shot image classification by pairing images with textual category names. The expanding variety of Pre-Trained VLMs enhances the likelihood of identifying a suitable VLM for specific tasks. To better reuse the VLM resource and fully leverage its potential on different zero-shot image classification tasks, a promising strategy is selecting appropriate Pre-Trained VLMs from the VLM Zoo, relying solely on the text data of the target dataset without access to the dataset’s images. In this paper, we analyze two inherent challenges in assessing the ability of a VLM in this Language-Only VLM selection: the “Modality Gap”—the disparity in VLM’s embeddings across two different modalities, making text a less reliable substitute for images; and the “Capability Gap”— the discrepancy between the VLM’s overall ranking and its ranking for target dataset, hindering direct prediction of a model’s dataset-specific performance from its general performance. We propose VLM Selection With gAp Bridging (SWAB) to mitigate the negative impact of two gaps. SWAB first adopts optimal transport to capture the relevance between open-source and target datasets with a transportation matrix. It then uses this matrix to transfer useful statistics of VLMs from open-source datasets to the target dataset for bridging two gaps. By bridging two gaps to obtain better substitutes for test images, SWAB can accurately predict the performance ranking of different VLMs on the target task without the need for the dataset’s images. Experiments across various VLMs and image classification datasets validate SWAB’s effectiveness. Code is available at: https://github.com/YCaigogogo/SWAB.

Computer Vision

Lubo Wang, Di Lin, Kairui Yang, Ruonan Liu, Qing Guo, Wuyuan Xie, Miaohui Wang, Lingyu Liang, Yi Wang, Ping Li

Semantic scene completion is a difficult task that involves completing the geometry and semantics of a scene from point clouds in a large-scale environment. Many current methods use 3D/2D convolutions or attention mechanisms, but these have limitations in directly constructing geometry and accurately propagating features from related voxels, the completion likely fails while propagating features in a single pass without considering multiple potential pathways. And they are generally only suitable for static scenes and struggle to handle dynamic aspects. This paper introduces Voxel Proposal Network (VPNet) that completes scenes from 3D and Bird's-Eye-View (BEV) perspectives. It includes Confident Voxel Proposal based on voxel-wise coordinates to propose confident voxels with high reliability for completion. This method reconstructs the scene geometry and implicitly models the uncertainty of voxel-wise semantic labels by presenting multiple possibilities for voxels. VPNet employs Multi-Frame Knowledge Distillation based on the point clouds of multiple adjacent frames to accurately predict the voxel-wise labels by condensing various possibilities of voxel relationships. VPNet has shown superior performance and achieved state-of-the-art results on the SemanticKITTI and SemanticPOSS datasets.

Yonggang Zhang, Jie Lu, Bo Peng, Zhen Fang, Yiu-ming Cheung

Out-of-distribution (OOD) detection is critical for deploying machine learning models in the open world. To design scoring functions that discern OOD data from the in-distribution (ID) cases from a pre-trained discriminative model, existing methods tend to make rigorous distributional assumptions either explicitly or implicitly due to the lack of knowledge about the learned feature space in advance. The mismatch between the learned and assumed distributions motivates us to raise a fundamental yet under-explored question: \textit{Is it possible to deterministically model the feature distribution while pre-training a discriminative model?}This paper gives an affirmative answer to this question by presenting a Distributional Representation Learning (\texttt{DRL}) framework for OOD detection. In particular, \texttt{DRL} explicitly enforces the underlying feature space to conform to a pre-defined mixture distribution, together with an online approximation of normalization constants to enable end-to-end training. Furthermore, we formulate \texttt{DRL} into a provably convergent Expectation-Maximization algorithm to avoid trivial solutions and rearrange the sequential sampling to guide the training consistency. Extensive evaluations across mainstream OOD detection benchmarks empirically manifest the superiority of the proposed \texttt{DRL} over its advanced counterparts.

Generative Models

Yasi Zhang, Peiyu Yu, Yaxuan Zhu, Yingshan CHANG, Feng Gao, Ying Nian Wu, Oscar Leong

Generative models based on flow matching have attracted significant attention for their simplicity and superior performance in high-resolution image synthesis. By leveraging the instantaneous change-of-variables formula, one can directly compute image likelihoods from a learned flow, making them enticing candidates as priors for downstream tasks such as inverse problems. In particular, a natural approach would be to incorporate such image probabilities in a maximum-a-posteriori (MAP) estimation problem. A major obstacle, however, lies in the slow computation of the log-likelihood, as it requires backpropagating through an ODE solver, which can be prohibitively slow for high-dimensional problems. In this work, we propose an iterative algorithm to approximate the MAP estimator efficiently to solve a variety of linear inverse problems. Our algorithm is mathematically justified by the observation that the MAP objective can be approximated by a sum of $N$ ``local MAP'' objectives, where $N$ is the number of function evaluations. By leveraging Tweedie's formula, we show that we can perform gradient steps to sequentially optimize these objectives. We validate our approach for various linear inverse problems, such as super-resolution, deblurring, inpainting, and compressed sensing, and demonstrate that we can outperform other methods based on flow matching. Code is available at \url{https://github.com/YasminZhang/ICTM}.

Yiwei Ma, Jiayi Ji, Ke Ye, Weihuang Lin, Zhibin Wang, Yonghan Zheng, Qiang Zhou, Xiaoshuai Sun, Rongrong Ji

Significant progress has been made in the field of Instruction-based Image Editing (IIE). However, evaluating these models poses a significant challenge. A crucial requirement in this field is the establishment of a comprehensive evaluation benchmark for accurately assessing editing results and providing valuable insights for its further development. In response to this need, we propose I2EBench, a comprehensive benchmark designed to automatically evaluate the quality of edited images produced by IIE models from multiple dimensions. I2EBench consists of 2,000+ images for editing, along with 4,000+ corresponding original and diverse instructions. It offers three distinctive characteristics: 1) Comprehensive Evaluation Dimensions: I2EBench comprises 16 evaluation dimensions that cover both high-level and low-level aspects, providing a comprehensive assessment of each IIE model. 2) Human Perception Alignment: To ensure the alignment of our benchmark with human perception, we conducted an extensive user study for each evaluation dimension. 3) Valuable Research Insights: By analyzing the advantages and disadvantages of existing IIE models across the 16 dimensions, we offer valuable research insights to guide future development in the field. We will open-source I2EBench, including all instructions, input images, human annotations, edited images from all evaluated methods, and a simple script for evaluating the results from new IIE models. The code, dataset, and generated images from all IIE models are provided in GitHub: https://github.com/cocoshe/I2EBench.

Trustworthy Machine Learning

Tianchi Liao, Lele Fu, Jialong Chen, Zhen Wang, Zibin Zheng, Chuan Chen

The heterogeneity issue in federated learning (FL) has attracted increasing attention, which is attempted to be addressed by most existing methods. Currently, due to systems and objectives heterogeneity, enabling clients to hold models of different architectures and tasks of different demands has become an important direction in FL. Most existing FL methods are based on the homogeneity assumption, namely, different clients have the same architectural models with the same tasks, which are unable to handle complex and multivariate data and tasks. To flexibly address these heterogeneity limitations, we propose a novel federated multi-task learning framework with the help of tensor trace norm, FedSAK. Specifically, it treats each client as a task and splits the local model into a feature extractor and a prediction head. Clients can flexibly choose shared structures based on heterogeneous situations and upload them to the server, which learns correlations among client models by mining model low-rank structures through tensor trace norm.Furthermore, we derive convergence and generalization bounds under non-convex settings. Evaluated on 6 real-world datasets compared to 13 advanced FL models, FedSAK demonstrates superior performance.

Jiaqing Zhang, Mingxiang Cao, Weiying Xie, Jie Lei, Daixun Li, Wenbo Huang, Yunsong Li, Xue Yang

Multimodal image fusion and object detection are crucial for autonomous driving. While current methods have advanced the fusion of texture details and semantic information, their complex training processes hinder broader applications. Addressing this challenge, we introduce E2E-MFD, a novel end-to-end algorithm for multimodal fusion detection. E2E-MFD streamlines the process, achieving high performance with a single training phase. It employs synchronous joint optimization across components to avoid suboptimal solutions associated to individual tasks. Furthermore, it implements a comprehensive optimization strategy in the gradient matrix for shared parameters, ensuring convergence to an optimal fusion detection configuration. Our extensive testing on multiple public datasets reveals E2E-MFD's superior capabilities, showcasing not only visually appealing image fusion but also impressive detection outcomes, such as a 3.9\% and 2.0\% $\text{mAP}_{50}$ increase on horizontal object detection dataset M3FD and oriented object detection dataset DroneVehicle, respectively, compared to state-of-the-art approaches.

Jiaqing Zhang, Mingxiang Cao, Weiying Xie, Jie Lei, Daixun Li, Wenbo Huang, Yunsong Li, Xue Yang

Multimodal image fusion and object detection are crucial for autonomous driving. While current methods have advanced the fusion of texture details and semantic information, their complex training processes hinder broader applications. Addressing this challenge, we introduce E2E-MFD, a novel end-to-end algorithm for multimodal fusion detection. E2E-MFD streamlines the process, achieving high performance with a single training phase. It employs synchronous joint optimization across components to avoid suboptimal solutions associated to individual tasks. Furthermore, it implements a comprehensive optimization strategy in the gradient matrix for shared parameters, ensuring convergence to an optimal fusion detection configuration. Our extensive testing on multiple public datasets reveals E2E-MFD's superior capabilities, showcasing not only visually appealing image fusion but also impressive detection outcomes, such as a 3.9\% and 2.0\% $\text{mAP}_{50}$ increase on horizontal object detection dataset M3FD and oriented object detection dataset DroneVehicle, respectively, compared to state-of-the-art approaches.

Generative Models · Misc

Renze Chen, Zhuofeng Wang, Beiquan Cao, Tong Wu, Size Zheng, Xiuhong Li, Xuechao Wei, Shengen Yan, Meng Li, Yun Liang

Large Language Models (LLMs) are widely used in today's tasks of natural language processing. To support applications like multi-turn chats, document understanding, and content generation, models with long context lengths are growing in importance.However, managing long contexts brings substantial challenges due to the expansion of key-value cache (KV cache). Longer KV cache requires larger memory, limiting the batch-size thus decreasing throughput. Also, computing attention over long KV cache incurs more memory access, hurting the end-to-end latency.Prior works find that it is sufficient to use only the recent and high-impact tokens for attention computation, allowing the eviction of less vital tokens to shrink cache size.Nonetheless, we observe a dynamic shift in token importance across different decoding steps. Tokens initially evicted might regain importance after certain decoding steps.To address this, we propose ArkVale, a page-based KV cache manager that can recognize and recall currently important tokens evicted before. We asynchronously copy the filled page into external memory (e.g., CPU memory) as backup and summarize it into a much smaller digest by constructing the bounding-volume of its keys. Before attention computation, we measure all pages' importance based on their digests, recall the important ones, evict the unimportant ones, and select the top-ranked pages for attention computation. Experiment results show that ArkVale performs well on various long context tasks with negligible accuracy loss under 2k$\sim$4k cache budget and can improve decoding latency to $2.2\times$ and batching throughput to $4.6\times$ because it applies attention on only a small subset of pages and reduce per-sample memory usage of KV cache.