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Data-centric AI · Data-centric AI methods and tools

Hanjun Dai, Bethany Wang, Xingchen Wan, Bo Dai, Sherry Yang, Azade Nova, Pengcheng Yin, Mangpo Phothilimthana, Charles Sutton, Dale Schuurmans

Analytics on structured data is a mature field with many successful methods.However, most real world data exists in unstructured form, such as images and conversations.We investigate the potential of Large Language Models (LLMs) to enable unstructured data analytics.In particular, we propose a new Universal Query Engine (UQE) that directly interrogates and draws insights from unstructured data collections.This engine accepts queries in a Universal Query Language (UQL), a dialect of SQL that provides full natural language flexibility in specifying conditions and operators.The new engine leverages the ability of LLMs to conduct analysis of unstructured data, while also allowing us to exploit advances in sampling and optimization techniques to achieve efficient and accurate query execution.In addition, we borrow techniques from classical compiler theory to better orchestrate the workflow between sampling methods and foundation model calls.We demonstrate the efficiency of UQE on data analytics across different modalities, including images, dialogs and reviews, across a range of useful query types, including conditional aggregation, semantic retrieval and abstraction aggregation.

Theory · Active Learning and Interactive Learning

Arvind Vepa, Zukang Yang, Andrew Choi, Jungseock Joo, Fabien Scalzo, Yizhou Sun

Deep learning has seen remarkable advancements in machine learning, yet it often demands extensive annotated data. Tasks like 3D semantic segmentation impose a substantial annotation burden, especially in domains like medicine, where expert annotations drive up the cost. Active learning (AL) holds great potential to alleviate this annotation burden in 3D medical segmentation. The majority of existing AL methods, however, are not tailored to the medical domain. While weakly-supervised methods have been explored to reduce annotation burden, the fusion of AL with weak supervision remains unexplored, despite its potential to significantly reduce annotation costs. Additionally, there is little focus on slice-based AL for 3D segmentation, which can also significantly reduce costs in comparison to conventional volume-based AL. This paper introduces a novel metric learning method for Coreset to perform slice-based active learning in 3D medical segmentation. By merging contrastive learning with inherent data groupings in medical imaging, we learn a metric that emphasizes the relevant differences in samples for training 3D medical segmentation models. We perform comprehensive evaluations using both weak and full annotations across four datasets (medical and non-medical). Our findings demonstrate that our approach surpasses existing active learning techniques on both weak and full annotations and obtains superior performance with low-annotation budgets which is crucial in medical imaging. Source code for this project is available in the supplementary materials and on GitHub: https://github.com/arvindmvepa/al-seg.

Computer Vision · Segmentation

Kseniya Cherenkova, Elona Dupont, Anis Kacem, Gleb Gusev, Djamila Aouada

Within the realm of Computer-Aided Design (CAD), Boundary-Representation (B-Rep) is the standard option for modeling shapes. We present SpelsNet, a neural architecture for the segmentation of 3D point clouds into surface primitive elements under topological supervision of its B-Rep graph structure. We also propose a point-to-BRep adjacency representation that allows for adapting conventional Linear Algebraic Representation of B-Rep graph structure to the point cloud domain. Thanks to this representation, SpelsNet learns from both spatial and topological domains to enable accurate and topologically consistent surface primitive element segmentation. In particular, SpelsNet is composed of two main components; (1) a supervised 3D spatial segmentation head that outputs B-Rep element types and memberships; (2) a graph-based head that leverages the proposed topological supervision. To enable the learning of SpelsNet with the proposed point-to-BRep adjacency supervision, we extend two existing CAD datasets with the required annotations, and conduct a thorough experimental validation on them. The obtained results showcase the efficacy of SpelsNet and its topological supervision compared to a set of baselines and state-of-the-art approaches.

Computer Vision · Classification

Shufan Shen, Junshu Sun, Xiangyang Ji, Qingming Huang, Shuhui Wang

Parameter-efficient fine-tuning (PEFT) is an effective method for adapting pre-trained vision models to downstream tasks by tuning a small subset of parameters. Among PEFT methods, sparse tuning achieves superior performance by only adjusting the weights most relevant to downstream tasks, rather than densely tuning the whole weight matrix. However, this performance improvement has been accompanied by increases in memory usage, which stems from two factors, i.e., the storage of the whole weight matrix as learnable parameters in the optimizer and the additional storage of tunable weight indexes. In this paper, we propose a method named SNELL (Sparse tuning with kerNELized LoRA) for sparse tuning with low memory usage. To achieve low memory usage, SNELL decomposes the tunable matrix for sparsification into two learnable low-rank matrices, saving from the costly storage of the whole original matrix. A competition-based sparsification mechanism is further proposed to avoid the storage of tunable weight indexes. To maintain the effectiveness of sparse tuning with low-rank matrices, we extend the low-rank decomposition by applying nonlinear kernel functions to the whole-matrix merging. Consequently, we gain an increase in the rank of the merged matrix, enhancing the ability of SNELL in adapting the pre-trained models to downstream tasks. Extensive experiments on multiple downstream tasks show that SNELL achieves state-of-the-art performance with low memory usage, endowing PEFT with sparse tuning to large-scale models. Codes are available at https://github.com/ssfgunner/SNELL.

Causality

Bowen Xu, Yiwen Huang, Chuan Hong, Shuangning Li, Molei Liu

Conditional independence tests are crucial across various disciplines in determining the independence of an outcome variable $Y$ from a treatment variable $X$, conditioning on a set of confounders $Z$. The Conditional Randomization Test (CRT) offers a powerful framework for such testing by assuming known distributions of $X \mid Z$; it controls the Type-I error exactly, allowing for the use of flexible, black-box test statistics. In practice, testing for conditional independence often involves using data from a source population to draw conclusions about a target population. This can be challenging due to covariate shift---differences in the distribution of $X$, $Z$, and surrogate variables, which can affect the conditional distribution of $Y \mid X, Z$---rendering traditional CRT approaches invalid. To address this issue, we propose a novel Covariate Shift Corrected Pearson Chi-squared Conditional Randomization (csPCR) test. This test adapts to covariate shifts by integrating importance weights and employing the control variates method to reduce variance in the test statistics and thus enhance power. Theoretically, we establish that the csPCR test controls the Type-I error asymptotically. Empirically, through simulation studies, we demonstrate that our method not only maintains control over Type-I errors but also exhibits superior power, confirming its efficacy and practical utility in real-world scenarios where covariate shifts are prevalent. Finally, we apply our methodology to a real-world dataset to assess the impact of a COVID-19 treatment on the 90-day mortality rate among patients.

Computer Vision

Minghao Han, Shiyin Jiang, Shengxi Li, Xin Deng, Mai Xu, Ce Zhu, Shuhang Gu

In recent years, learned image compression (LIC) technologies have surpassed conventional methods notably in terms of rate-distortion (RD) performance. Most present learned techniques are VAE-based with an autoregressive entropy model, which obviously promotes the RD performance by utilizing the decoded causal context. However, extant methods are highly dependent on the fixed hand-crafted causal context. The question of how to guide the auto-encoder to generate a more effective causal context benefit for the autoregressive entropy models is worth exploring. In this paper, we make the first attempt in investigating the way to explicitly adjust the causal context with our proposed Causal Context Adjustment loss (CCA-loss). By imposing the CCA-loss, we enable the neural network to spontaneously adjust important information into the early stage of the autoregressive entropy model. Furthermore, as transformer technology develops remarkably, variants of which have been adopted by many state-of-the-art (SOTA) LIC techniques. The existing computing devices have not adapted the calculation of the attention mechanism well, which leads to a burden on computation quantity and inference latency. To overcome it, we establish a convolutional neural network (CNN) image compression model and adopt the unevenly channel-wise grouped strategy for high efficiency. Ultimately, the proposed CNN-based LIC network trained with our Causal Context Adjustment loss attains a great trade-off between inference latency and rate-distortion performance.

Graph Neural Networks

Hang Yin, Liyao Xiang, Dong Ding, Yuheng He, Yihan Wu, Pengzhi Chu, Xinbing Wang, Chenghu Zhou

We investigate the entity alignment (EA) problem with unlabeled dangling cases, meaning that partial entities have no counterparts in the other knowledge graph (KG), yet these entities are unlabeled. The problem arises when the source and target graphs are of different scales, and it is much cheaper to label the matchable pairs than the dangling entities. To address this challenge, we propose the framework \textit{Lambda} for dangling detection and entity alignment. Lambda features a GNN-based encoder called KEESA with a spectral contrastive learning loss for EA and a positive-unlabeled learning algorithm called iPULE for dangling detection. Our dangling detection module offers theoretical guarantees of unbiasedness, uniform deviation bounds, and convergence. Experimental results demonstrate that each component contributes to overall performances that are superior to baselines, even when baselines additionally exploit 30\% of dangling entities labeled for training.

Optimization · Large Scale, Parallel and Distributed

Alexander Tyurin, Kaja Gruntkowska, Peter Richtarik

In practical distributed systems, workers are typically not homogeneous, and due to differences in hardware configurations and network conditions, can have highly varying processing times. We consider smooth nonconvex finite-sum (empirical risk minimization) problems in this setup and introduce a new parallel method, Freya PAGE, designed to handle arbitrarily heterogeneous and asynchronous computations. By being robust to "stragglers" and adaptively ignoring slow computations, Freya PAGE offers significantly improved time complexity guarantees compared to all previous methods, including Asynchronous SGD, Rennala SGD, SPIDER, and PAGE, while requiring weaker assumptions. The algorithm relies on novel generic stochastic gradient collection strategies with theoretical guarantees that can be of interest on their own, and may be used in the design of future optimization methods. Furthermore, we establish a lower bound for smooth nonconvex finite-sum problems in the asynchronous setup, providing a fundamental time complexity limit. This lower bound is tight and demonstrates the optimality of Freya PAGE in the large-scale regime, i.e., when $\sqrt{m} \geq n,$ where $n$ is \# of workers, and $m$ is \# of data samples.

Tianyuan Jin, Yu Yang, Jing Tang, Xiaokui Xiao, Pan Xu

We study the batched best arm identification (BBAI) problem, where the learner's goal is to identify the best arm while switching the policy as less as possible. In particular, we aim to find the best arm with probability $1-\delta$ for some small constant $\delta>0$ while minimizing both the sample complexity (total number of arm pulls) and the batch complexity (total number of batches). We propose the three-batch best arm identification (Tri-BBAI) algorithm, which is the first batched algorithm that achieves the optimal sample complexity in the asymptotic setting (i.e., $\delta\rightarrow 0$) and runs in $3$ batches in expectation. Based on Tri-BBAI, we further propose the almost optimal batched best arm identification (Opt-BBAI) algorithm, which is the first algorithm that achieves the near-optimal sample and batch complexity in the non-asymptotic setting (i.e., $1/\delta$ is finite), while enjoying the same batch and sample complexity as Tri-BBAI when $\delta$ tends to zero. Moreover, in the non-asymptotic setting, the complexity of previous batch algorithms is usually conditioned on the event that the best arm is returned (with a probability of at least $1-\delta$), which is potentially unbounded in cases where a sub-optimal arm is returned. In contrast, the complexity of Opt-BBAI does not rely on such an event. This is achieved through a novel procedure that we design for checking whether the best arm is eliminated, which is of independent interest.

Language · Speech

Yen-Ju Lu, Jing Liu, Thomas Thebaud, Laureano Moro-Velazquez, Ariya Rastrow, Najim Dehak, Jesus Villalba

We introduce Condition-Aware Self-Supervised Learning Representation (CA-SSLR), a generalist conditioning model broadly applicable to various speech-processing tasks. Compared to standard fine-tuning methods that optimize for downstream models, CA-SSLR integrates language and speaker embeddings from earlier layers, making the SSL model aware of the current language and speaker context.This approach reduces the reliance on the input audio features while preserving the integrity of the base SSLR. CA-SSLR improves the model’s capabilities and demonstrates its generality on unseen tasks with minimal task-specific tuning. Our method employs linear modulation to dynamically adjust internal representations, enabling fine-grained adaptability without significantly altering the original model behavior. Experiments show that CA-SSLR reduces the number of trainable parameters, mitigates overfitting, and excels in under-resourced and unseen tasks. Specifically, CA-SSLR achieves a 10\% relative reduction in LID errors, a 37\% improvement in ASR CER on the ML-SUPERB benchmark, and a 27\% decrease in SV EER on VoxCeleb-1, demonstrating its effectiveness.

Deep Learning · Algorithms

Su Zheng, Zhengqi Gao, Fan-Keng Sun, Duane Boning, Bei Yu, Martin D. Wong

Neural ordinary differential equations (Neural ODEs) is a family of continuous-depth neural networks where the evolution of hidden states is governed by learnable temporal derivatives. We identify a significant limitation in applying traditional Batch Normalization (BN) to Neural ODEs, due to a fundamental mismatch --- BN was initially designed for discrete neural networks with no temporal dimension, whereas Neural ODEs operate continuously over time. To bridge this gap, we introduce temporal adaptive Batch Normalization (TA-BN), a novel technique that acts as the continuous-time analog to traditional BN. Our empirical findings reveal that TA-BN enables the stacking of more layers within Neural ODEs, enhancing their performance. Moreover, when confined to a model architecture consisting of a single Neural ODE followed by a linear layer, TA-BN achieves 91.1\% test accuracy on CIFAR-10 with 2.2 million parameters, making it the first \texttt{unmixed} Neural ODE architecture to approach MobileNetV2-level parameter efficiency. Extensive numerical experiments on image classification and physical system modeling substantiate the superiority of TA-BN compared to baseline methods.

Generative Models

Jaehyun Nam, Kyuyoung Kim, Seunghyuk Oh, Jihoon Tack, Jaehyung Kim, Jinwoo Shin

In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments.To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods. Code is available at https://github.com/jaehyun513/OCTree.

Generative Models · Diffusion models

Alexander Denker, Francisco Vargas, Shreyas Padhy, Kieran Didi, Simon Mathis, Riccardo Barbano, Vincent Dutordoir, Emile Mathieu, Urszula Julia Komorowska, Pietro Lió

Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many real-world applications, we often have access to large, expensively trained unconditional diffusion models, which we aim to exploit for improving conditional sampling.Most recent approaches are motivated heuristically and lack a unifying framework, obscuring connections between them. Further, they often suffer from issues such as being very sensitive to hyperparameters, being expensive to train or needing access to weights hidden behind a closed API. In this work, we unify conditional training and sampling using the mathematically well-understood Doob's h-transform. This new perspective allows us to unify many existing methods under a common umbrella. Under this framework, we propose DEFT (Doob's h-transform Efficient FineTuning), a new approach for conditional generation that simply fine-tunes a very small network to quickly learn the conditional $h$-transform, while keeping the larger unconditional network unchanged. DEFT is much faster than existing baselines while achieving state-of-the-art performance across a variety of linear and non-linear benchmarks. On image reconstruction tasks, we achieve speedups of up to 1.6$\times$, while having the best perceptual quality on natural images and reconstruction performance on medical images. Further, we also provide initial experiments on protein motif scaffolding and outperform reconstruction guidance methods.

Learning Theory

Michele Caprio, Maryam Sultana, Eleni Elia, Fabio Cuzzolin

Statistical learning theory is the foundation of machine learning, providing theoretical bounds for the risk of models learned from a (single) training set, assumed to issue from an unknown probability distribution. In actual deployment, however, the data distribution may (and often does) vary, causing domain adaptation/generalization issues. In this paper we lay the foundations for a `credal' theory of learning, using convex sets of probabilities (credal sets) to model the variability in the data-generating distribution. Such credal sets, we argue, may be inferred from a finite sample of training sets. Bounds are derived for the case of finite hypotheses spaces (both assuming realizability or not), as well as infinite model spaces, which directly generalize classical results.

Reinforcement Learning · Multi-agent

Junyu Liu, Xiangjun Peng

Feint behaviors refer to a set of deceptive behaviors in a nuanced manner, which enable players to obtain temporal and spatial advantages over opponents in competitive games. Such behaviors are crucial tactics in most competitive multi-player games (e.g., boxing, fencing, basketball, motor racing, etc.). However, existing literature does not provide a comprehensive (and/or concrete) formalization for Feint behaviors, and their implications on game strategies. In this work, we introduce the first comprehensive formalization of Feint behaviors at both action-level and strategy-level, and provide concrete implementation and quantitative evaluation of them in multi-player games. The key idea of our work is to (1) allow automatic generation of Feint behaviors via Palindrome-directed templates, combine them into meaningful behavior sequences via a Dual-Behavior Model; (2) concertize the implications from our formalization of Feint on game strategies, in terms of temporal, spatial, and their collective impacts respectively; and (3) provide a unified implementation scheme of Feint behaviors in existing MARL frameworks. The experimental results show that our design of Feint behaviors can (1) greatly improve the game reward gains; (2) significantly improve the diversity of Multi-Player Games; and (3) only incur negligible overheads in terms of time consumption.

Yihong Luo, Yuhan Chen, Siya Qiu, Yiwei Wang, Chen Zhang, Yan Zhou, Xiaochun Cao, Jing Tang

Graph Neural Networks (GNNs) have shown superior performance in node classification. However, GNNs perform poorly in the Few-Shot Node Classification (FSNC) task that requires robust generalization to make accurate predictions for unseen classes with limited labels. To tackle the challenge, we propose the integration of Sharpness-Aware Minimization (SAM)--a technique designed to enhance model generalization by finding a flat minimum of the loss landscape--into GNN training. The standard SAM approach, however, consists of two forward-backward steps in each training iteration, doubling the computational cost compared to the base optimizer (e.g., Adam). To mitigate this drawback, we introduce a novel algorithm, Fast Graph Sharpness-Aware Minimization (FGSAM), that integrates the rapid training of Multi-Layer Perceptrons (MLPs) with the superior performance of GNNs. Specifically, we utilize GNNs for parameter perturbation while employing MLPs to minimize the perturbed loss so that we can find a flat minimum with good generalization more efficiently. Moreover, our method reutilizes the gradient from the perturbation phase to incorporate graph topology into the minimization process at almost zero additional cost. To further enhance training efficiency, we develop FGSAM+ that executes exact perturbations periodically. Extensive experiments demonstrate that our proposed algorithm outperforms the standard SAM with lower computational costs in FSNC tasks. In particular, our FGSAM+ as a SAM variant offers a faster optimization than the base optimizer in most cases. In addition to FSNC, our proposed methods also demonstrate competitive performance in the standard node classification task for heterophilic graphs, highlighting the broad applicability.

Generative Models · Reasoning

Si-An Chen, Lesly Miculicich, Julian Eisenschlos, Zifeng Wang, Zilong Wang, Yanfei Chen, YASUHISA FUJII, Hsuan-Tien Lin, Chen-Yu Lee, Tomas Pfister

Recent advancements in language models (LMs) have notably enhanced their ability to reason with tabular data, primarily through program-aided mechanisms that manipulate and analyze tables.However, these methods often require the entire table as input, leading to scalability challenges due to the positional bias or context length constraints.In response to these challenges, we introduce TableRAG, a Retrieval-Augmented Generation (RAG) framework specifically designed for LM-based table understanding.TableRAG leverages query expansion combined with schema and cell retrieval to pinpoint crucial information before providing it to the LMs.This enables more efficient data encoding and precise retrieval, significantly reducing prompt lengths and mitigating information loss.We have developed two new million-token benchmarks from the Arcade and BIRD-SQL datasets to thoroughly evaluate TableRAG's effectiveness at scale.Our results demonstrate that TableRAG's retrieval design achieves the highest retrieval quality, leading to the new state-of-the-art performance on large-scale table understanding.

Deep Learning · Representation Learning

Li Jiao, Qiuxia LAI, YU LI, Qiang Xu

Continual learning requires to overcome catastrophic forgetting when training a single model on a sequence of tasks. Recent top-performing approaches are prompt-based methods that utilize a set of learnable parameters (i.e., prompts) to encode task knowledge, from which appropriate ones are selected to guide the fixed pre-trained model in generating features tailored to a certain task. However, existing methods rely on predicting prompt identities for prompt selection, where the identity prediction process cannot be optimized with task loss. This limitation leads to sub-optimal prompt selection and inadequate adaptation of pre-trained features for a specific task. Previous efforts have tried to address this by directly generating prompts from input queries instead of selecting from a set of candidates. However, these prompts are continuous, which lack sufficient abstraction for task knowledge representation, making them less effective for continual learning. To address these challenges, we propose VQ-Prompt, a prompt-based continual learning method that incorporates Vector Quantization (VQ) into end-to-end training of a set of discrete prompts. In this way, VQ-Prompt can optimize the prompt selection process with task loss and meanwhile achieve effective abstraction of task knowledge for continual learning. Extensive experiments show that VQ-Prompt outperforms state-of-the-art continual learning methods across a variety of benchmarks under the challenging class-incremental setting.

Computer Vision

Daniel Miao, Gilad Lerman, Joe Kileel

The block tensor of trifocal tensors provides crucial geometric information on the three-view geometry of a scene. The underlying synchronization problem seeks to recover camera poses (locations and orientations up to a global transformation) from the block trifocal tensor. We establish an explicit Tucker factorization of this tensor, revealing a low multilinear rank of $(6,4,4)$ independent of the number of cameras under appropriate scaling conditions. We prove that this rank constraint provides sufficient information for camera recovery in the noiseless case. The constraint motivates a synchronization algorithm based on the higher-order singular value decomposition of the block trifocal tensor. Experimental comparisons with state-of-the-art global synchronization methods on real datasets demonstrate the potential of this algorithm for significantly improving location estimation accuracy. Overall this work suggests that higher-order interactions in synchronization problems can be exploited to improve performance, beyond the usual pairwise-based approaches.

Botos Csaba, Wenxuan Zhang, Matthias Müller, Ser Nam Lim, Philip Torr, Adel Bibi

Online continual learning, the process of training models on streaming data, has gained increasing attention in recent years. However, a critical aspect often overlooked is the label delay, where new data may not be labeled due to slow and costly annotation processes. We introduce a new continual learning framework with explicit modeling of the label delay between data and label streams over time steps. In each step, the framework reveals both unlabeled data from the current time step t and labels delayed with d steps, from the time step t−d. In our extensive experiments amounting to 1060 GPU days, we show that merely augmenting the computational resources is insufficient to tackle this challenge. Our findings underline a notable performance decline when solely relying on labeled data when the label delay becomes significant. More surprisingly, when using state-of-the-art SSL and TTA techniques to utilize the newer, unlabeled data, they fail to surpass the performance of a naïve method that simply trains on the delayed supervised stream. To this end, we introduce a simple, efficient baseline that rehearses from the labeled memory samples that are most similar to the new unlabeled samples. This method bridges the accuracy gap caused by label delay without significantly increasing computational complexity. We show experimentally that our method is the least affected by the label delay factor and in some cases successfully recovers the accuracy of the non-delayed counterpart. We conduct various ablations and sensitivity experiments, demonstrating the effectiveness of our approach.