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Applications · Time Series

Akinori F. Ebihara, Taiki Miyagawa, Kazuyuki Sakurai, Hitoshi Imaoka

Time-sensitive machine learning benefits from Sequential Probability Ratio Test (SPRT), which provides an optimal stopping time for early classification of time series. However, in *finite horizon* scenarios, where input lengths are finite, determining the optimal stopping rule becomes computationally intensive due to the need for *backward induction*, limiting practical applicability. We thus introduce FIRMBOUND, an SPRT-based framework that efficiently estimates the solution to backward induction from training data, bridging the gap between optimal stopping theory and real-world deployment. It employs *density ratio estimation* and *convex function learning* to provide statistically consistent estimators for sufficient statistic and conditional expectation, both essential for solving backward induction; consequently, FIRMBOUND minimizes Bayes risk to reach optimality. Additionally, we present a faster alternative using Gaussian process regression, which significantly reduces training time while retaining low deployment overhead, albeit with potential compromise in statistical consistency. Experiments across independent and identically distributed (i.i.d.), non-i.i.d., binary, multiclass, synthetic, and real-world datasets show that FIRMBOUND achieves optimalities in the sense of Bayes risk and speed-accuracy tradeoff. Furthermore, it advances the tradeoff boundary toward optimality when possible and reduces decision-time variance, ensuring reliable decision-making. Code is included in the supplementary materials.

Optimization · Large Scale, Parallel and Distributed

Daniel Cederberg, Xuyang Wu, Stephen Boyd, Mikael Johansson

We propose a novel asynchronous bundle method to solve distributed learning problems. Compared to existing asynchronous methods, our algorithm computes the next iterate based on a more accurate approximation of the objective function and does not require any prior information about the maximal information delay in the system. This makes the proposed method fast and easy to tune. We prove that the algorithm converges in both deterministic and stochastic (mini-batch) settings, and quantify how the convergence times depend on the level of asynchrony. The practical advantages of our method are illustrated through numerical experiments on classification problems of varying complexities and scales.

Probabilistic Methods · Everything Else

Kaizheng Wang, Fabio Cuzzolin, Keivan Shariatmadar, David Moens, Hans Hallez

This paper presents an innovative approach, called credal wrapper, to formulating a credal set representation of model averaging for Bayesian neural networks (BNNs) and deep ensembles (DEs), capable of improving uncertainty estimation in classification tasks. Given a finite collection of single predictive distributions derived from BNNs or DEs, the proposed credal wrapper approach extracts an upper and a lower probability bound per class, acknowledging the epistemic uncertainty due to the availability of a limited amount of distributions. Such probability intervals over classes can be mapped on a convex set of probabilities (a credal set) from which, in turn, a unique prediction can be obtained using a transformation called intersection probability transformation. In this article, we conduct extensive experiments on several out-of-distribution (OOD) detection benchmarks, encompassing various dataset pairs (CIFAR10/100 vs SVHN/Tiny-ImageNet, CIFAR10 vs CIFAR10-C, CIFAR100 vs CIFAR100-C and ImageNet vs ImageNet-O) and using different network architectures (such as VGG16, ResNet-18/50, EfficientNet B2, and ViT Base). Compared to the BNN and DE baselines, the proposed credal wrapper method exhibits superior performance in uncertainty estimation and achieves a lower expected calibration error on corrupted data.

Deep Learning · Large Language Models

Yongchang Hao, Mengyao Zhai, Hossein Hajimirsadeghi, Sepidehsadat Hosseini, Frederick Tung

Transformer models have demonstrated exceptional performance across a wide range of applications. Though forming the foundation of Transformer models, the dot-product attention does not scale well to long-context data since its time requirement grows quadratically with context length. In this work, we propose Radar, a training-free approach that accelerates inference by dynamically searching for the most important context tokens. For any pre-trained Transformer, Radar can reduce the decoding time complexity without training or heuristically evicting tokens. Moreover, we provide theoretical justification for our approach, demonstrating that Radar can reliably identify the most important tokens with high probability. We conduct extensive comparisons with the previous methods on a wide range of tasks. The results demonstrate that Radar achieves the state-of-the-art performance across different architectures with reduced time complexity, offering a practical solution for efficient long-context processing of Transformers. The code is publicly available at https://github.com/BorealisAI/radar-decoding.

Yam Eitan, Yoav Gelberg, Guy Bar-Shalom, Fabrizio Frasca, Michael Bronstein, Haggai Maron

Topological deep learning (TDL) is a rapidly growing field that seeks to leverage topological structure in data and facilitate learning from data supported on topological objects, ranging from molecules to 3D shapes. Most TDL architectures can be unified under the framework of higher-order message-passing (HOMP), which generalizes graph message-passing to higher-order domains. In the first part of the paper, we explore HOMP's expressive power from a topological perspective, demonstrating the framework's inability to capture fundamental topological and metric invariants such as diameter, orientability, planarity, and homology. In addition, we demonstrate HOMP's limitations in fully leveraging lifting and pooling methods on graphs. To the best of our knowledge, this is the first work to study the expressivity of TDL from a topological perspective. In the second part of the paper, we develop two new classes of architectures -- multi-cellular networks (MCN) and scalable MCN (SMCN) -- which draw inspiration from expressive GNNs. MCN can reach full expressivity, but scaling it to large data objects can be computationally expansive. Designed as a more scalable alternative, SMCN still mitigates many of HOMP's expressivity limitations. Finally, we design new benchmarks for evaluating models based on their ability to learn topological properties of complexes. We then evaluate SMCN on these benchmarks as well as on real-world graph datasets, demonstrating improvements over both HOMP baselines and expressive graph methods, highlighting the value of expressively leveraging topological information.

Deep Learning · Graph Neural Networks

Yonatan Sverdlov, Nadav Dym

Motivated by applications in chemistry and other sciences, we study the expressivepower of message-passing neural networks for geometric graphs, whose nodefeatures correspond to 3-dimensional positions. Recent work has shown that suchmodels can separate generic pairs of non-isomorphic geometric graphs, though theymay fail to separate some rare and complicated instances. However, these resultsassume a fully connected graph, where each node possesses complete knowledgeof all other nodes. In contrast, often, in application, every node only possessesknowledge of a small number of nearest neighbors.This paper shows that generic pairs of non-isomorphic geometric graphs canbe separated by message-passing networks with rotation equivariant features aslong as the underlying graph is connected. When only invariant intermediatefeatures are allowed, generic separation is guaranteed for generically globallyrigid graphs. We introduce a simple architecture, EGENNET, which achieves ourtheoretical guarantees and compares favorably with alternative architecture onsynthetic and chemical benchmarks

Deep Learning · Large Language Models

Chaochen Gao, Xing W, Qi Fu, Songlin Hu

Recent advancements in large language models (LLMs) have highlighted the importance of extending context lengths for handling complex tasks. While traditional methods for training on long contexts often use filtered long documents, these approaches lead to domain imbalances, limiting model performance. To address this, techniques like random document concatenation (Standard) and similarity-based methods (KNN, ICLM) have been developed. However, they either sacrifice semantic coherence or diversity. To balance both aspects, we introduce Quest, a query-centric data synthesis method aggregating semantically relevant yet diverse documents. Quest uses a generative model to predict potential queries for each document, grouping documents with similar queries and keywords. Extensive experiments demonstrate Quest's superior performance on long-context tasks, achieving remarkable results with context lengths of up to 1M tokens and confirming its scalability across various model sizes.

Deep Learning · Robustness

Boyang Zheng, Chumeng Liang, Xiaoyu Wu

Diffusion models build a new milestone for image generation yet raising public concerns, for they can be fine-tuned on unauthorized images for customization. Protection based on adversarial attacks rises to encounter this unauthorized diffusion customization, by adding protective watermarks to images and poisoning diffusion models. However, current protection, leveraging untargeted attacks, does not appear to be effective enough. In this paper, we propose a simple yet effective improvement for the protection against unauthorized diffusion customization by introducing targeted attacks. We show that by carefully selecting the target, targeted attacks significantly outperform untargeted attacks in poisoning diffusion models and degrading the customization image quality. Extensive experiments validate the superiority of our method on two mainstream customization methods of diffusion models, compared to existing protections. To explain the surprising success of targeted attacks, we delve into the mechanism of attack-based protections and propose a hypothesis based on our observation, which enhances the comprehension of attack-based protections. To the best of our knowledge, we are the first to both reveal the vulnerability of diffusion models to targeted attacks and leverage targeted attacks to enhance protection against unauthorized diffusion customization.

Deep Learning · Theory

Yonatan Sverdlov, Ido Springer, Nadav Dym

This paper explores the characterization of equivariant linear layers for representations of permutations and related groups. Unlike traditional approaches,which address these problems using parameter-sharing, we consider an alternativemethodology based on irreducible representations and Schur’s lemma. Using thismethodology, we obtain an alternative derivation for existing models like DeepSets,2-IGN graph equivariant networks, and Deep Weight Space (DWS) networks. Thederivation for DWS networks is significantly simpler than that of previous results.Next, we extend our approach to unaligned symmetric sets, where equivarianceto the wreath product of groups is required. Previous works have addressed thisproblem in a rather restrictive setting, in which almost all wreath equivariant layersare Siamese. In contrast, we give a full characterization of layers in this case andshow that there is a vast number of additional non-Siamese layers in some settings.We also show empirically that these additional non-Siamese layers can improveperformance in tasks like graph anomaly detection, weight space alignment, andlearning Wasserstein distances.

Deep Learning · Generative Models and Autoencoders

Carles Domingo i Enrich, Michal Drozdzal, Brian Karrer, Ricky T. Q. Chen

Dynamical generative models that produce samples through an iterative process, such as Flow Matching and denoising diffusion models, have seen widespread use, but there have not been many theoretically-sound methods for improving these models with reward fine-tuning. In this work, we cast reward fine-tuning as stochastic optimal control (SOC). Critically, we prove that a very specific *memoryless* noise schedule must be enforced during fine-tuning, in order to account for the dependency between the noise variable and the generated samples. We also propose a new algorithm named *Adjoint Matching* which outperforms existing SOC algorithms, by casting SOC problems as a regression problem. We find that our approach significantly improves over existing methods for reward fine-tuning, achieving better consistency, realism, and generalization to unseen human preference reward models, while retaining sample diversity.

Song Tang, Wenxin Su, Yan Gan, Mao Ye, Jianwei Dr. Zhang, Xiatian Zhu

Source-Free Domain Adaptation (SFDA) aims to adapt a pre-trained source model to an unlabeled target domain with no access to the source data. Inspired by the success of large Vision-Language (ViL) models in many applications, the latest research has validated ViL's benefit for SFDA by using their predictions as pseudo supervision. However, we observe that ViL's supervision could be noisy and inaccurate at an unknown rate, potentially introducing additional negative effects during adaption. To address this thus-far ignored challenge, we introduce a novel Proxy Denoising (__ProDe__) approach. The key idea is to leverage the ViL model as a proxy to facilitate the adaptation process towards the latent domain-invariant space. Concretely, we design a proxy denoising mechanism to correct ViL's predictions. This is grounded on a proxy confidence theory that models the dynamic effect of proxy's divergence against the domain-invariant space during adaptation. To capitalize the corrected proxy, we further derive a mutual knowledge distilling regularization. Extensive experiments show that ProDe significantly outperforms the current state-of-the-art alternatives under both conventional closed-set setting and the more challenging open-set, partial-set, generalized SFDA, multi-target, multi-source, and test-time settings. Our code and data are available at https://github.com/tntek/source-free-domain-adaptation.

Social Aspects · Trustworthy Machine Learning

Aaron J. Li, Satyapriya Krishna, Hima Lakkaraju

The trustworthiness of Large Language Models (LLMs) refers to the extent to which their outputs are reliable, safe, and ethically aligned, and it has become a crucial consideration alongside their cognitive performance. In practice, Reinforcement Learning From Human Feedback (RLHF) has been widely used to align LLMs with labeled human preferences, but its assumed effect on model trustworthiness hasn't been rigorously evaluated. To bridge this knowledge gap, this study investigates how models aligned with general-purpose preference data perform across five trustworthiness verticals: toxicity, stereotypical bias, machine ethics, truthfulness, and privacy. Our results demonstrate that RLHF on human preferences doesn't automatically guarantee trustworthiness, and reverse effects are often observed. Furthermore, we propose to adapt efficient influence function based data attribution methods to the RLHF setting to better understand the influence of fine-tuning data on individual trustworthiness benchmarks, and show its feasibility by providing our estimated attribution scores. Together, our results underscore the need for more nuanced approaches for model alignment from both the data and framework perspectives, and we hope this research will guide the community towards developing language models that are increasingly capable without sacrificing trustworthiness.

Applications · Physics

Honghui Wang, Shiji Song, Gao Huang

Significant advancements have been achieved in PDE modeling using neural fields. Despite their effectiveness, existing methods rely on global modulation, limiting their ability to reconstruct local details. While spatial modulation with vanilla grid-based representations offers a promising alternative, it struggles with inadequate global information modeling and over-fitting to the training spatial domain. To address these challenges, we propose GridMix, a novel approach that models spatial modulation as a mixture of grid-based representations. GridMix effectively explores global structures while preserving locality for fine-grained modulation. Furthermore, we introduce spatial domain augmentation to enhance the robustness of the modulated neural fields against spatial domain variations. With all these innovations,our comprehensive approach culminates in MARBLE, a framework that significantly advancing the capabilities of neural fields in PDE modeling. The effectiveness of MARBLE is extensivelyvalidated on diverse benchmarks encompassing dynamics modeling and geometric prediction.

Gao Peng, Le Zhuo, Dongyang Liu, DU, Xu Luo, Longtian Qiu, Yuhang Zhang, Rongjie Huang, Shijie Geng, Renrui Zhang 等

Sora unveils the potential of scaling Diffusion Transformer (DiT) for generating photorealistic images and videos at arbitrary resolutions, aspect ratios, and durations, yet it still lacks sufficient implementation details. In this paper, we introduce the Lumina-T2X family -- a series of Flow-based Large Diffusion Transformers (Flag-DiT) equipped with zero-initialized attention, as a simple and scalable generative framework that can be adapted to various modalities, e.g., transforming noise into images, videos, multi-view 3D objects, or audio clips conditioned on text instructions. By tokenizing the latent spatial-temporal space and incorporating learnable placeholders such as |[nextline]| and |[nextframe]| tokens, Lumina-T2X seamlessly unifies the representations of different modalities across various spatial-temporal resolutions. Advanced techniques like RoPE, KQ-Norm, and flow matching enhance the stability, flexibility, and scalability of Flag-DiT, enabling models of Lumina-T2X to scale up to 7 billion parameters and extend the context window to 128K tokens. This is particularly beneficial for creating ultra-high-definition images with our Lumina-T2I model and long 720p videos with our Lumina-T2V model. Remarkably, Lumina-T2I, powered by a 5-billion-parameter Flag-DiT, requires only 35% of the training computational costs of a 600-million-parameter naive DiT (PixArt-alpha), indicating that increasing the number of parameters significantly accelerates convergence of generative models without compromising visual quality. Our further comprehensive analysis underscores Lumina-T2X's preliminary capability in resolution extrapolation, high-resolution editing, generating consistent 3D views, and synthesizing videos with seamless transitions. All code and checkpoints of Lumina-T2X are released at https://github.com/Alpha-VLLM/Lumina-T2X to further foster creativity, transparency, and diversity in the generative AI community.

Jiachen (Tianhao) Wang, Prateek Mittal, Dawn Song, Ruoxi Jia

Data Shapley offers a principled framework for attributing the contribution of data within machine learning contexts. However, the traditional notion of Data Shapley requires re-training models on various data subsets, which becomes computationally infeasible for large-scale models. Additionally, this retraining-based definition cannot evaluate the contribution of data for a specific model training run, which may often be of interest in practice. This paper introduces a novel concept, In-Run Data Shapley, which eliminates the need for model retraining and is specifically designed for assessing data contribution for a particular model of interest. In-Run Data Shapley calculates the Shapley value for each gradient update iteration and accumulates these values throughout the training process. We present several techniques that allow the efficient scaling of In-Run Data Shapley to the size of foundation models. In its most optimized implementation, our method adds negligible runtime overhead compared to standard model training. This dramatic efficiency improvement makes it possible to perform data attribution for the foundation model pretraining stage. We present several case studies that offer fresh insights into pretraining data's contribution and discuss their implications for copyright in generative AI and pretraining data curation.

Nikhila Ravi, Valentin Gabeur, Yuan-Ting Hu, Ronghang Hu, Chaitanya Ryali, Tengyu Ma, Haitham Khedr, Roman Rädle, Chloe Rolland, Laura Gustafson 等

We present Segment Anything Model 2 (SAM 2), a foundation model towards solving promptable visual segmentation in images and videos. We build a data engine, which improves model and data via user interaction, to collect the largest video segmentation dataset to date. Our model is a simple transformer architecture with streaming memory for real-time video processing. SAM 2 trained on our data provides strong performance across a wide range of tasks. In video segmentation, we observe better accuracy, using 3x fewer interactions than prior approaches. In image segmentation, our model is more accurate and 6x faster than the Segment Anything Model (SAM). We believe that our data, model, and insights will serve as a significant milestone for video segmentation and related perception tasks. We are releasing our main model, the dataset, an interactive demo and code.

Deep Learning · Generative Models and Autoencoders

Haiyu Wu, Jaskirat Singh, Sicong Tian, Liang Zheng, Kevin Bowyer

This paper studies how to synthesize face images of non-existent persons, to create a dataset that allows effective training of face recognition (FR) models. Besides generating realistic face images, two other important goals are: 1) the ability to generate a large number of distinct identities (inter-class separation), and 2) a proper variation in appearance of the images for each identity (intra-class variation).However, existing works 1) are typically limited in how many well-separated identities can be generated and 2) either neglect or use an external model for attribute augmentation. We propose Vec2Face, a holistic model that uses only a sampled vector as input and can flexibly generate and control the identity of face images and their attributes. Composed of a feature masked autoencoder and an image decoder, Vec2Face is supervised by face image reconstruction and can be conveniently used in inference. Using vectors with low similarity among themselves as inputs, Vec2Face generates well-separated identities. Randomly perturbing an input identity vector within a small range allows Vec2Face to generate faces of the same identity with proper variation in face attributes. It is also possible to generate images with designated attributes by adjusting vector values with a gradient descent method. Vec2Face has efficiently synthesized as many as 300K identities, whereas 60K is the largest number of identities created in the previous works. As for performance, FR models trained with the generated HSFace datasets, from 10k to 300k identities, achieve state-of-the-art accuracy, from 92\% to 93.52\%, on five real-world test sets (\emph{i.e.}, LFW, CFP-FP, AgeDB-30, CALFW, and CPLFW). For the first time, the FR model trained using our synthetic training set achieves higher accuracy than that trained using a same-scale training set of real face images on the CALFW, IJBB, and IJBC test sets.

Deep Learning · Large Language Models

Zeyu Gan, Yong Liu

Synthetic data has become a pivotal resource in post-training tasks for large language models (LLMs) due to the scarcity of high-quality, specific data. While various methods have been developed to generate synthetic data, there remains a discernible gap between the practical effects of synthetic data and our theoretical comprehension. To address this challenge, we commence by presenting a detailed modeling of the prevalent synthetic data generation process. Building upon this modeling, we demonstrate that the generalization capability of the post-trained model is critically determined by the information gain derived from the generative model, as analyzed from a novel reverse-bottleneck perspective. Moreover, we introduce the concept of Generalization Gain via Mutual Information (GGMI) and elucidate the relationship between generalization gain and information gain. This analysis serves as a theoretical foundation for synthetic data generation and further highlights its connection with the generalization capability of post-trained models, offering an understanding about the design of synthetic data generation techniques and the optimization of the post-training process. We open-source our code at https://github.com/ZyGan1999/Towards-a-Theoretical-Understanding-of-Synthetic-Data-in-LLM-Post-Training.

Deep Learning · Large Language Models

Yehonathan Refael, Jonathan Svirsky, Boris Shustin, Wasim Huleihel, Ofir Lindenbaum

Training and fine-tuning large language models (LLMs) come with challenges related to memory and computational requirements due to the increasing size of the model weights and the optimizer states. To tackle these challenges, various techniques have been developed, such as low-rank adaptation (LoRA), which involves introducing a parallel trainable low-rank matrix to the fixed pre-trained weights at each layer. However, these methods often fall short compared to the full-rank weight training approach, as they restrict the parameter search to a low-rank subspace. This limitation can disrupt training dynamics and may require a full-rank warm start to mitigate the impact. In this paper, we introduce a new method inspired by a phenomenon we formally prove: as training progresses, the rank of the estimated layer gradients gradually decreases and asymptotically approaches rank one. Leveraging this, our approach involves adaptively reducing the rank of the gradients during Adam optimization steps, using an efficient online-updating low-rank projections rule. We further present a randomized-svd scheme for efficiently finding the projection matrix. Our technique enables full-parameter fine-tuning with adaptive low-rank gradient updates, significantly reducing overall memory requirements during training compared to state-of-the-art methods while improving model performance in both pretraining and fine-tuning. Finally, we provide a convergence analysis of our method and demonstrate its merits for training and fine-tuning language and biological foundation models.

Junfeng Fang, Houcheng Jiang, Kun Wang, Yunshan Ma, Jie Shi, Xiang Wang, Xiangnan He, Tat-Seng Chua

Large language models (LLMs) often exhibit hallucinations, producing incorrect or outdated knowledge. Hence, model editing methods have emerged to enable targeted knowledge updates. To achieve this, a prevailing paradigm is the locating-then-editing approach, which first locates influential parameters and then edits them by introducing a perturbation. While effective, current studies have demonstrated that this perturbation inevitably disrupt the originally preserved knowledge within LLMs, especially in sequential editing scenarios.To address this, we introduce AlphaEdit, a novel solution that projects perturbation onto the null space of the preserved knowledge before applying it to the parameters. We theoretically prove that this projection ensures the output of post-edited LLMs remains unchanged when queried about the preserved knowledge, thereby mitigating the issue of disruption. Extensive experiments on various LLMs, including LLaMA3, GPT2-XL, and GPT-J, show that AlphaEdit boosts the performance of most locating-then-editing methods by an average of 36.7% with a single line of additional code for projection solely.