论文检索

Social Aspects · Trustworthy Machine Learning

Jianshuo Dong, Ziyuan Zhang, Qingjie Zhang, Tianwei Zhang, Hao Wang, Hewu Li, Qi Li, Chao Zhang, Ke Xu, Han Qiu

Auto-regressive large language models (LLMs) have yielded impressive performance in many real-world tasks. However, the new paradigm of these LLMs also exposes novel threats. In this paper, we explore their vulnerability to inference cost attacks, where a malicious user crafts Engorgio prompts to intentionally increase the computation cost and latency of the inference process. We design Engorgio, a novel methodology, to efficiently generate adversarial Engorgio prompts to affect the target LLM's service availability. Engorgio has the following two technical contributions. (1) We employ a parameterized distribution to track LLMs' prediction trajectory. (2) Targeting the auto-regressive nature of LLMs' inference process, we propose novel loss functions to stably suppress the appearance of the <EOS> token, whose occurrence will interrupt the LLM's generation process. We conduct extensive experiments on 13 open-sourced LLMs with parameters ranging from 125M to 30B. The results show that Engorgio prompts can successfully induce LLMs to generate abnormally long outputs (i.e., roughly 2-13$\times$ longer to reach 90\%+ of the output length limit)in a white-box scenario and our real-world experiment demonstrates Engergio's threat to LLM service with limited computing resources.The code is released at https://github.com/jianshuod/Engorgio-prompt.

Applications · Computer Vision

Jonathan Brokman, Amit Giloni, Omer Hofman, Roman Vainshtein, Hisashi Kojima, Guy Gilboa

Distinguishing between real and AI-generated images, commonly referred to as 'image detection', presents a timely and significant challenge. Despite extensive research in the (semi-)supervised regime, zero-shot and few-shot solutions have only recently emerged as promising alternatives. Their main advantage is in alleviating the ongoing data maintenance, which quickly becomes outdated due to advances in generative technologies. We identify two main gaps: (1) a lack of theoretical grounding for the methods, and (2) significant room for performance improvements in zero-shot and few-shot regimes. Our approach is founded on understanding and quantifying the biases inherent in generated content, where we use these quantities as criteria for characterizing generated images. Specifically, we explore the biases of the implicit probability manifold, captured by a pre-trained diffusion model. Through score-function analysis, we approximate the curvature, gradient, and bias towards points on the probability manifold, establishing criteria for detection in the zero-shot regime. We further extend our contribution to the few-shot setting by employing a mixture-of-experts methodology. Empirical results across 20 generative models demonstrate that our method outperforms current approaches in both zero-shot and few-shot settings. This work advances the theoretical understanding and practical usage of generated content biases through the lens of manifold analysis.

Theory · Learning Theory

Shahryar Zehtabi, Dong-Jun Han, Rohit Parasnis, Seyyedali Hosseinalipour, Christopher Brinton

Decentralized federated learning (DFL) captures FL settings where both (i) model updates and (ii) model aggregations are exclusively carried out by the clients without a central server. Existing DFL works have mostly focused on settings where clients conduct a fixed number of local updates between local model exchanges, overlooking heterogeneity and dynamics in communication and computation capabilities. In this work, we propose Decentralized Sporadic Federated Learning ($\texttt{DSpodFL}$), a DFL methodology built on a generalized notion of *sporadicity* in both local gradient and aggregation processes. $\texttt{DSpodFL}$ subsumes many existing decentralized optimization methods under a unified algorithmic framework by modeling the per-iteration (i) occurrence of gradient descent at each client and (ii) exchange of models between client pairs as arbitrary indicator random variables, thus capturing *heterogeneous and time-varying* computation/communication scenarios. We analytically characterize the convergence behavior of $\texttt{DSpodFL}$ for both convex and non-convex models and for both constant and diminishing learning rates, under mild assumptions on the communication graph connectivity, data heterogeneity across clients, and gradient noises. We show how our bounds recover existing results from decentralized gradient descent as special cases. Experiments demonstrate that $\texttt{DSpodFL}$ consistently achieves improved training speeds compared with baselines under various system settings.

Xingzhuo Guo, Yu Zhang, Baixu Chen, Haoran Xu, Jianmin Wang, Mingsheng Long

Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong performance across various tasks and modalities, their application to temporal predictive learning remains underexplored. Existing approaches treat predictive learning as a conditional generation problem, but often fail to fully exploit the temporal dynamics inherent in the data, leading to challenges in generating temporally coherent sequences. To address this, we introduce Dynamical Diffusion (DyDiff), a theoretically sound framework that incorporates temporally aware forward and reverse processes. Dynamical Diffusion explicitly models temporal transitions at each diffusion step, establishing dependencies on preceding states to better capture temporal dynamics. Through the reparameterization trick, Dynamical Diffusion achieves efficient training and inference similar to any standard diffusion model. Extensive experiments across scientific spatiotemporal forecasting, video prediction, and time series forecasting demonstrate that Dynamical Diffusion consistently improves performance in temporal predictive tasks, filling a crucial gap in existing methodologies. Code is available at this repository: https://github.com/thuml/dynamical-diffusion.

Applications · Chemistry and Drug Discovery

Chenbin Zhang, Zhiqiang Hu, Jiang Chuchu, Wen Chen, JIE XU, Shaoting Zhang

Drug-target binding affinity prediction is a fundamental task for drug discovery. It has been extensively explored in literature and promising results are reported. However, in this paper, we demonstrate that the results may be misleading and cannot be well generalized to real practice. The core observation is that the canonical randomized split of a test set in conventional evaluation leaves the test set dominated by samples with high similarity to the training set. The performance of models is severely degraded on samples with lower similarity to the training set but the drawback is highly overlooked in current evaluation. As a result, the performance can hardly be trusted when the model meets low-similarity samples in real practice. To address this problem, we propose a framework of similarity aware evaluation in which a novel split methodology is proposed to adapt to any desired distribution. This is achieved by a formulation of optimization problems which are approximately and efficiently solved by gradient descent. We perform extensive experiments across five representative methods in four datasets for two typical target evaluations and compare them with various counterpart methods. Results demonstrate that the proposed split methodology can significantly better fit desired distributions and guide the development of models.

Applications · Chemistry and Drug Discovery

Chenbin Zhang, Zhiqiang Hu, Jiang Chuchu, Wen Chen, JIE XU, Shaoting Zhang

Drug-target binding affinity prediction is a fundamental task for drug discovery. It has been extensively explored in literature and promising results are reported. However, in this paper, we demonstrate that the results may be misleading and cannot be well generalized to real practice. The core observation is that the canonical randomized split of a test set in conventional evaluation leaves the test set dominated by samples with high similarity to the training set. The performance of models is severely degraded on samples with lower similarity to the training set but the drawback is highly overlooked in current evaluation. As a result, the performance can hardly be trusted when the model meets low-similarity samples in real practice. To address this problem, we propose a framework of similarity aware evaluation in which a novel split methodology is proposed to adapt to any desired distribution. This is achieved by a formulation of optimization problems which are approximately and efficiently solved by gradient descent. We perform extensive experiments across five representative methods in four datasets for two typical target evaluations and compare them with various counterpart methods. Results demonstrate that the proposed split methodology can significantly better fit desired distributions and guide the development of models.

Theory · Deep Learning

Riccardo Salami, Pietro Buzzega, Matteo Mosconi, Jacopo Bonato, Luigi Sabetta, Simone Calderara

Model merging has emerged as a crucial technique in Deep Learning, enabling the integration of multiple models into a unified system while preserving performance and scalability. In this respect, the compositional properties of low-rank adaptation techniques (e.g., LoRA) have proven beneficial, as simple averaging LoRA modules yields a single model that mostly integrates the capabilities of all individual modules. Building on LoRA, we take a step further by imposing that the merged model matches the responses of all learned modules. Solving this ob-jective in closed form yields an indeterminate system with A and B as unknown variables, indicating the existence of infinitely many closed-form solutions. To address this challenge, we introduce LoRM, an alternating optimization strategy that trains one LoRA matrix at a time. This allows solving for each unknown variable individually, thus finding a unique solution. We apply our proposed methodology to Federated Class-Incremental Learning (FCIL), ensuring alignment of model responses both between clients and across tasks. Our method demonstrates state-of-the-art performance across a range of FCIL scenarios. The code to reproduce our experiments is available at github.com/aimagelab/fed-mammoth.

Guibin Zhang, Yiyan Qi, Ziyang Cheng, Yanwei Yue, Dawei Cheng, Jian Guo

Graph data augmentation (GDA) has shown significant promise in enhancing the performance, generalization, and robustness of graph neural networks (GNNs). However, contemporary methodologies are often limited to static graphs, whose applicability on dynamic graphs—more prevalent in real-world applications—remains unexamined. In this paper, we empirically highlight the challenges faced by static GDA methods when applied to dynamic graphs, particularly their inability to maintain temporal consistency. In light of this limitation, we propose a dedicated augmentation framework for dynamic graphs, termed $\texttt{DyAug}$, which adaptively augments the evolving graph structure with temporal consistency awareness. Specifically, we introduce the paradigm of graph rationalization for dynamic GNNs, progressively distinguishing between causal subgraphs (\textit{rationale}) and the non-causal complement (\textit{environment}) across snapshots. We develop three types of environment replacement, including, spatial, temporal, and spatial-temporal, to facilitate data augmentation in the latent representation space, thereby improving the performance, generalization, and robustness of dynamic GNNs. Extensive experiments on six benchmarks and three GNN backbones demonstrate that $\texttt{DyAug}$ can \textbf{(I)} improve the performance of dynamic GNNs by $0.89\\%\sim3.13\\%\uparrow$; \textbf{(II)} effectively counter targeted and non-targeted adversarial attacks with $6.2\\%\sim12.2\\%\\uparrow$ performance boost; \textbf{(III)} make stable predictions under temporal distribution shifts.

Deep Learning · Large Language Models

Tianren Ma, Lingxi Xie, Yunjie Tian, Boyu Yang, Qixiang Ye

Aligning vision and language concepts at a finer level remains an essential topic of multimodal large language models (MLLMs), particularly for tasks such as referring and grounding. Existing methods, such as *proxy encoding* and *geometry encoding* genres, incorporate additional syntax to encode spatial information, imposing extra burdens when communicating between language with vision modules. In this study, we propose ClawMachine, offering a new methodology that explicitly notates each entity using **token collectives**—groups of visual tokens that collaboratively represent higher-level semantics. A hybrid perception mechanism is also explored to perceive and understand scenes from both discrete and continuous spaces. Our method unifies the prompt and answer of visual referential tasks without using additional syntax. By leveraging a joint vision-language vocabulary, ClawMachine integrates referring and grounding in an auto-regressive manner, demonstrating great potential with scaled up pre-training data. Experiments show that ClawMachine achieves superior performance on scene-level and referential understanding tasks with higher efficiency. It also exhibits the potential to integrate multi-source information for complex visual reasoning, which is beyond the capability of many MLLMs. Our code is available at https://github.com/martian422/ClawMachine.

Deep Learning · Large Language Models

Can Demircan, Tankred Saanum, Akshay Jagadish, Marcel Binz, Eric Schulz

In-context learning, the ability to adapt based on a few examples in the input prompt, is a ubiquitous feature of large language models (LLMs). However, as LLMs' in-context learning abilities continue to improve, understanding this phenomenon mechanistically becomes increasingly important. In particular, it is not well-understood how LLMs learn to solve specific classes of problems, such as reinforcement learning (RL) problems, in-context. Through three different tasks, we first show that Llama $3$ $70$B can solve simple RL problems in-context. We then analyze the residual stream of Llama using Sparse Autoencoders (SAEs) and find representations that closely match temporal difference (TD) errors. Notably, these representations emerge despite the model only being trained to predict the next token. We verify that these representations are indeed causally involved in the computation of TD errors and $Q$-values by performing carefully designed interventions on them. Taken together, our work establishes a methodology for studying and manipulating in-context learning with SAEs, paving the way for a more mechanistic understanding.

Applications · Time Series

Christian Klötergens, Vijaya Krishna Yalavarthi, Randolf Scholz, Maximilian Stubbemann, Stefan Born, Lars Schmidt-Thieme

State-of-the-art methods for forecasting irregularly sampled time series with missing values predominantly rely on just four datasets and a few small toy examples for evaluation. While ordinary differential equations (ODE) are the prevalent models in science and engineering, a baseline model that forecasts a constant value outperforms ODE-based models from the last five years on three of these existing datasets. This unintuitive finding hampers further research on ODE-based models, a more plausible model family.In this paper, we develop a methodology to generate irregularly sampled multivariate time series (IMTS) datasets from ordinary differentialequations and to select challenging instances via rejection sampling. Using this methodology, we create Physiome-ODE, a large and sophisticated benchmark of IMTS datasets consisting of 50 individual datasets, derived from real-world ordinary differential equations from research in biology. Physiome-ODE is the first benchmark for IMTS forecasting that we are aware of and an order of magnitude larger than the current evaluation setting of four datasets. Using our benchmark Physiome-ODE, we show qualitatively completely different results than those derived from the current four datasets: on Physiome-ODE ODE-based models can play to their strength and our benchmark can differentiate in a meaningful way between different IMTS forecasting models. This way, we expect to give a new impulse to research on ODE-based time series modeling.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Yuechen Xie, Jie Song, Mengqi Xue, Haofei Zhang, Xingen Wang, Bingde Hu, Genlang Chen, Mingli Song

High-quality open-source datasets, which necessitate substantial efforts for curation, has become the primary catalyst for the swift progress of deep learning. Concurrently, protecting these datasets is paramount for the well-being of the data owner. Dataset ownership verification emerges as a crucial method in this domain, but existing approaches are often limited to supervised models and cannot be directly extended to increasingly popular unsupervised pre-trained models. In this work, we propose the first dataset ownership verification method tailored specifically for self-supervised pre-trained models by contrastive learning. Its primary objective is to ascertain whether a suspicious black-box backbone has been pre-trained on a specific unlabeled dataset, aiding dataset owners in upholding their rights. The proposed approach is motivated by our empirical insights that when models are trained with the target dataset, the unary and binary instance relationships within the embedding space exhibit significant variations compared to models trained without the target dataset. We validate the efficacy of this approach across multiple contrastive pre-trained models including SimCLR, BYOL, SimSiam, MOCO v3, and DINO. The results demonstrate that our method rejects the null hypothesis with a $p$-value markedly below $0.05$, surpassing all previous methodologies. Our code is available at https://github.com/xieyc99/DOV4CL.

Deep Learning · Large Language Models

Xin Xu, Tong Xiao, Zitong Chao, Zhenya Huang, Can Yang, Yang Wang

Math Word Problems (MWPs) play a vital role in assessing the capabilities of Large Language Models (LLMs), yet current research primarily focuses on questions with concise contexts. The impact of longer contexts on mathematical reasoning remains under-explored. This study pioneers the investigation of Context Length Generalizability (CoLeG), which refers to the ability of LLMs to solve MWPs with extended narratives. We introduce Extended Grade-School Math (E-GSM), a collection of MWPs featuring lengthy narratives, and propose two novel metrics to evaluate the efficacy and resilience of LLMs in tackling these problems. Our analysis of existing zero-shot prompting techniques with proprietary LLMs along with open-source LLMs reveals a general deficiency in CoLeG. To alleviate these issues, we propose tailored approaches for different categories of LLMs. For proprietary LLMs, we introduce a new instructional prompt designed to mitigate the impact of long contexts. For open-source LLMs, we develop a novel auxiliary task for fine-tuning to enhance CoLeG. Our comprehensive results demonstrate the effectiveness of our proposed methods, showing improved performance on E-GSM. Additionally, we conduct an in-depth analysis to differentiate the effects of semantic understanding and reasoning efficacy, showing that our methods improves the latter. We also establish the generalizability of our methods across several other MWP benchmarks. Our findings highlight the limitations of current LLMs and offer practical solutions correspondingly, paving the way for further exploration of model generalizability and training methodologies.

Social Aspects · Trustworthy Machine Learning

Pratyush Maini, Anshuman Suri

At EMNLP 2024, the [Best Paper Award](https://x.com/emnlpmeeting/status/1857176180128198695/photo/1) was given to **"Pretraining Data Detection for Large Language Models: A Divergence-based Calibration Method"**. The paper addresses Membership Inference Attacks (MIAs), a key issue in machine learning related to privacy. The authors propose a new calibration method and introduce **PatentMIA**, a benchmark utilizing temporally shifted patent data to validate their approach. The method initially seems promising: it recalibrates model probabilities using a divergence metric between the outputs of a target model and a token-frequency map derived from auxiliary data, claiming improved detection of member and non-member samples. However, upon closer examination, we identified significant shortcomings in both the experimental design and evaluation methodology. In this post, we critically analyze the paper and its broader implications.

Applications · Physics

Brandon Zhao, Aviad Levis, Liam Connor, Pratul Srinivasan, Katherine Bouman

Weak gravitational lensing is the slight distortion of galaxy shapes caused primarily by the gravitational effects of dark matter in the universe. In our work, we seek to invert the weak lensing signal from 2D telescope images to reconstruct a 3D map of the universe’s dark matter field. While inversion typically yeilds a 2D projection of the dark matter field, accurate 3D maps of the dark matter distribution are essential for localizing structures of interest and testing theories of our universe. However, 3D inversion poses signficant challenges. First, unlike standard 3D reconstruction that relies on multiple viewpoints, in this case, images are only observed from a single viewpoint. This challenge can be partially addressed by observing how galaxy emitters throughout the volume are lensed. However, this leads to the second challenge: the shapes and exact locations of unlensed galaxies are unknown, and can only be estimated with a very large degree of uncertainty. This introduces an overwhelming amount of noise which nearly drowns out the lensing signal completely. Previous approaches tackle this by imposing strong assumptions about the structures in the volume. We instead propose a methodology using a gravitationally-constrained neural field to flexibly model the continuous matter distribution. We take an analysis-by-synthesis approach, optimizing the weights of the neural network through a fully differentiable physical forward model to reproduce the lensing signal present in image measurements. We showcase our method on simulations, including realistic simulated measurements of dark matter distributions that mimic data from upcoming telescope surveys. Our results show that our method can not only outperform previous methods, but importantly is also able to recover potentially surprising dark matter structures.

Deep Learning · Large Language Models

M Saiful Bari, Yazeed Alnumay, Norah Alzahrani, Nouf Alotaibi, Hisham Alyahya, AlRashed, Faisal Mirza, Shaykhah Alsubaie, Hassan Alahmed, Ghadah Alabduljabbar 等

In this work, we present ALLaM: Arabic Large Language Model, a series of large language models to support the ecosystem of Arabic Language Technologies (ALT). ALLaM is carefully trained, considering the values of language alignment and transferability of knowledge at scale. The models are based on an autoregressive decoder-only architecture and are pretrained on a mixture of Arabic and English texts. We illustrate how the second-language acquisition via vocabulary expansion can help steer a language model towards a new language without any major catastrophic forgetting in English. Furthermore, we highlight the effectiveness of using translation data and the process of knowledge encoding within the language model's latent space. Finally, we show that effective alignment with human preferences can significantly enhance the performance of a large language model (LLM) compared to less aligned models of a larger scale. Our methodology enables us to achieve state-of-the-art performance in various Arabic benchmarks, including MMLU Arabic, ACVA, and Arabic Exams. Our aligned models improve both in Arabic and English from its base aligned models.

Applications · Physics

Aiqing Zhu, Yuting Pan, Qianxiao Li

Continuous dynamical systems are cornerstones of many scientific and engineering disciplines.While machine learning offers powerful tools to model these systems from trajectory data, challenges arise when these trajectories are captured as images, resulting in pixel-level observations that are discrete in nature.Consequently, a naive application of a convolutional autoencoder can result in latent coordinates that are discontinuous in time.To resolve this, we propose continuity-preserving convolutional autoencoders (CpAEs) to learn continuous latent states and their corresponding continuous latent dynamical models from discrete image frames. We present a mathematical formulation for learning dynamics from image frames, which illustrates issues with previous approaches and motivates our methodology based on promoting the continuity of convolution filters, thereby preserving the continuity of the latent states.This approach enables CpAEs to produce latent states that evolve continuously with the underlying dynamics, leading to more accurate latent dynamical models.Extensive experiments across various scenarios demonstrate the effectiveness of CpAEs.

Applications · Computer Vision

Jea Kwon, Sungjun Lim, Kyungwoo Song, C. Lee

Convolutional Neural Networks (CNNs) have profoundly influenced the field of computer vision, drawing significant inspiration from the visual processing mechanisms inherent in the brain. Despite sharing fundamental structural and representational similarities with the biological visual system, differences in local connectivity patterns within CNNs open up an interesting area to explore. In this work, we explore whether integrating biologically observed receptive fields (RFs) can enhance model performance and foster alignment with brain representations. We introduce a novel methodology, termed $L_p$-convolution, which employs the multivariate $L_p$-generalized normal distribution as an adaptable $L_p$-masks, to reconcile disparities between artificial and biological RFs. $L_p$-masks finds the optimal RFs through task-dependent adaptation of conformation such as distortion, scale, and rotation. This allows $L_p$-convolution to excel in tasks that require flexible RF shapes, including not only square-shaped regular RFs but also horizontal and vertical ones. Furthermore, we demonstrate that $L_p$-convolution with biological RFs significantly enhances the performance of large kernel CNNs possibly by introducing structured sparsity inspired by $L_p$-generalized normal distribution in convolution. Lastly, we present that neural representations of CNNs align more closely with the visual cortex when -convolution is close to biological RFs.

Deep Learning · Everything Else

George Wang, Jesse Hoogland, Stan van Wingerden, Zach Furman, Daniel Murfet

We introduce refined variants of the Local Learning Coefficient (LLC), a measure of model complexity grounded in singular learning theory, to study the development of internal structure in transformer language models during training. By applying these refined LLCs (rLLCs) to individual components of a two-layer attention-only transformer, we gain novel insights into the progressive differentiation and specialization of attention heads. Our methodology reveals how attention heads differentiate into distinct functional roles over the course of training, analyzes the types of data these heads specialize to process, and discovers a previously unidentified multigram circuit. These findings demonstrate that rLLCs provide a principled, quantitative toolkit for developmental interpretability, which aims to understand models through their evolution across the learning process. This work advances the field of developmental interpretability by providing a mathematically rigorous approach to understanding neural networks through the lens of their learning process. More broadly, this work takes a step towards establishing the correspondence between data distributional structure, geometric properties of the loss landscape, learning dynamics, and emergent computational structures in neural networks.

Probabilistic Methods · Monte Carlo and Sampling Methods

Maxence Noble, Louis Grenioux, Marylou Gabrié, Alain Oliviero Durmus

Over the past few years, several approaches utilizing score-based diffusion have been proposed to sample from probability distributions, that is without having access to exact samples and relying solely on evaluations of unnormalized densities. The resulting samplers approximate the time-reversal of a noising diffusion process, bridging the target distribution to an easy-to-sample base distribution. In practice, the performance of these methods heavily depends on key hyperparameters that require ground truth samples to be accurately tuned. Our work aims to highlight and address this fundamental issue, focusing in particular on multi-modal distributions, which pose significant challenges for existing sampling methods. Building on existing approaches, we introduce *Learned Reference-based Diffusion Sampler* (LRDS), a methodology specifically designed to leverage prior knowledge on the location of the target modes in order to bypass the obstacle of hyperparameter tuning. LRDS proceeds in two steps by (i) learning a *reference* diffusion model on samples located in high-density space regions and tailored for multimodality, and (ii) using this reference model to foster the training of a diffusion-based sampler. We experimentally demonstrate that LRDS best exploits prior knowledge on the target distribution compared to competing algorithms on a variety of challenging distributions.