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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.

Deep Learning · Robustness

Shijie Liu, Andrew Cullen, Paul Montague, Sarah Erfani, Benjamin Rubinstein

Similar to other machine learning frameworks, Offline Reinforcement Learning (RL) is shown to be vulnerable to poisoning attacks, due to its reliance on externally sourced datasets, a vulnerability that is exacerbated by its sequential nature. To mitigate the risks posed by RL poisoning, we extend certified defenses to provide larger guarantees against adversarial manipulation, ensuring robustness for both per-state actions, and the overall expected cumulative reward. Our approach leverages properties of Differential Privacy, in a manner that allows this work to span both continuous and discrete spaces, as well as stochastic and deterministic environments---significantly expanding the scope and applicability of achievable guarantees. Empirical evaluations demonstrate that our approach ensures the performance drops to no more than 50% with up to 7% of the training data poisoned, significantly improving over the 0.008% in prior work (Wu et al., 2022), while producing certified radii that is 5 times larger as well. This highlights the potential of our framework to enhance safety and reliability in offline RL.

Miscellaneous Aspects of Machine Learning · Supervised Learning

Yuan Bian, Grace Yi, Wenqing He

Boosting has garnered significant interest across both machine learning and statistical communities. Traditional boosting algorithms, designed for fully observed random samples, often struggle with real-world problems, particularly with interval-censored data. This type of data is common in survival analysis and time-to-event studies where exact event times are unobserved but fall within known intervals. Effective handling of such data is crucial in fields like medical research, reliability engineering, and social sciences. In this work, we introduce novel nonparametric boosting methods for regression and classification tasks with interval-censored data. Our approaches leverage censoring unbiased transformations to adjust loss functions and impute transformed responses while maintaining model accuracy. Implemented via functional gradient descent, these methods ensure scalability and adaptability. We rigorously establish their theoretical properties, including optimality and mean squared error trade-offs. Our proposed methods not only offer a robust framework for enhancing predictive accuracy in domains where interval-censored data are common but also complement existing work, expanding the applicability of existing boosting techniques. Empirical studies demonstrate robust performance across various finite-sample scenarios, highlighting the practical utility of our approaches.

Deep Learning · Robustness

Wanlin Zhang, Weichen Lin, Ruomin Huang, Shihong Song, Hu Ding

Ensemble methods are commonly used for enhancing robustness in machine learning. However, due to the ''transferability'' of adversarial examples, the performance of an ensemble model can be seriously affected even it contains a set of independently trained sub-models. To address this issue, we propose an efficient data transformation method based on a cute ''weakness allocation'' strategy, to diversify non-robust features.Our approach relies on a fine-grained analysis on the relation between non-robust features and adversarial attack directions.Moreover, our approach enjoys several other advantages, e.g., it does not require any communication between sub-models and the construction complexity is also quite low.We conduct a set of experiments to evaluate the performance of our proposed method and compare it with several popular baselines. The results suggest that our approach can achieve significantly improved robust accuracy over most existing ensemble methods, and meanwhile preserve high clean accuracy.

Deep Learning · Large Language Models

Jiale Cheng, Xiao Liu, Cunxiang Wang, Xiaotao Gu, Yida Lu, Dan Zhang, Yuxiao Dong, Jie Tang, Hongning Wang, Minlie Huang

Instruction-following is a fundamental capability of language models, requiring the model to recognize even the most subtle requirements in the instructions and accurately reflect them in its output.Such an ability is well-suited for and often optimized by preference learning.However, existing methods often directly sample multiple independent responses from the model when creating preference pairs.Such practice can introduce content variations irrelevant to whether the instruction is precisely followed (e.g., different expressions about the same semantic), interfering with the goal of teaching models to recognize the key differences that lead to improved instruction following.In light of this, we introduce SPaR, a self-play framework integrating tree-search self-refinement to yield valid and comparable preference pairs free from distractions.By playing against itself, an LLM employs a tree-search strategy to refine its previous responses with respect to the instruction while minimizing unnecessary variations.Our experiments show that a LLaMA3-8B model, trained over three iterations guided by SPaR, surpasses GPT-4-Turbo on the IFEval benchmark without losing general capabilities. Furthermore, SPaR demonstrates promising scalability, greatly enhancing models like GLM-4-9B and LLaMA3-70B.We also identify how inference scaling in tree search would impact model performance.Our code and data are publicly available at https://github.com/thu-coai/SPaR.

Deep Learning · Large Language Models

Sijun Tan, Siyuan Zhuang, Kyle Montgomery, William Tang, Alejandro Cuadron, Chenguang Wang, Raluca Popa, Ion Stoica

LLM-based judges have emerged as a scalable alternative to human evaluation and are increasingly used to assess, compare, and improve models. However, the reliability of LLM-based judges themselves is rarely scrutinized. As LLMs become more advanced, their responses grow more sophisticated, requiring stronger judges to evaluate them. Existing benchmarks primarily focus on a judge’s alignment with human preferences, but often fail to account for more challenging tasks where crowdsourced human preference is a poor indicator of factual and logical correctness. To address this, we propose a novel evaluation framework to objectively evaluate LLM-based judges. Based on this framework, we propose JudgeBench, a benchmark for evaluating LLM-based judges on challenging response pairs spanning knowledge, reasoning, math, and coding. JudgeBench leverages a novel pipeline for converting existing difficult datasets into challenging response pairs with preference labels reflecting objective correctness. Our comprehensive evaluation on a collection of prompted judges, fine-tuned judges, multi-agent judges, and reward models shows that JudgeBench poses a significantly greater challenge than previous benchmarks, with many strong models (e.g. GPT-4o) performing just slightly better than random guessing. Overall, JudgeBench offers a reliable platform for assessing increasingly advanced LLM-based judges. Data and code are available at \url{https://github.com/ScalerLab/JudgeBench}.

Social Aspects · Fairness, Equity, Justice and Safety

Shihong Song, Guanlin Mo, Hu Ding

The fairness of clustering algorithms has gained widespread attention across various areas, including machine learning, In this paper, we study fair $k$-means clustering in Euclidean space. Given a dataset comprising several groups, the fairness constraint requires that each cluster should contain a proportion of points from each group within specified lower and upper bounds. Due to these fairness constraints, determining the optimal locations of $k$ centers is a quite challenging task. We propose a novel ``Relax and Merge'' framework that returns a $(1+4\rho + O(\epsilon))$-approximate solution, where $\rho$ is the approximate ratio of an off-the-shelf vanilla $k$-means algorithm and $O(\epsilon)$ can be an arbitrarily small positive number. If equipped with a PTAS of $k$-means, our solution can achieve an approximation ratio of $(5+O(\epsilon))$ with only a slight violation of the fairness constraints, which improves the current state-of-the-art approximation guarantee. Furthermore, using our framework, we can also obtain a $(1+4\rho +O(\epsilon))$-approximate solution for the $k$-sparse Wasserstein Barycenter problem, which is a fundamental optimization problem in the field of optimal transport, and a $(2+6\rho)$-approximate solution for the strictly fair $k$-means clustering with no violation, both of which are better than the current state-of-the-art methods. In addition, the empirical results demonstrate that our proposed algorithm can significantly outperform baseline approaches in terms of clustering cost.

Deep Learning · Generative Models and Autoencoders

Hayk Manukyan, Andranik Sargsyan, Barsegh Atanyan, Zhangyang Wang, Shant Navasardyan, Humphrey Shi

Recent progress in text-guided image inpainting, based on the unprecedented success of text-to-image diffusion models, has led to exceptionally realistic and visually plausible results. However, there is still significant potential for improvement in current text-to-image inpainting models, particularly in better aligning the inpainted area with user prompts. Therefore, we introduce $\textit{HD-Painter}$, a $\textbf{training-free}$ approach that $\textbf{accurately follows prompts}$. To this end, we design the $\textit{Prompt-Aware Introverted Attention (PAIntA)}$ layer enhancing self-attention scores by prompt information resulting in better text aligned generations. To further improve the prompt coherence we introduce the $\textit{Reweighting Attention Score Guidance (RASG)}$ mechanism seamlessly integrating a post-hoc sampling strategy into the general form of DDIM to prevent out-of-distribution latent shifts. Our experiments demonstrate that HD-Painter surpasses existing state-of-the-art approaches quantitatively and qualitatively across multiple metrics and a user study. Code is publicly available at: [https://github.com/Picsart-AI-Research/HD-Painter](https://github.com/Picsart-AI-Research/HD-Painter)

Miscellaneous Aspects of Machine Learning · Online Learning, Active Learning and Bandits

Itai Shufaro, Nadav Merlis, Nir Weinberger, Shie Mannor

In many sequential decision problems, an agent performs a repeated task. He then suffers regret and obtains information that he may use in the following rounds. However, sometimes the agent may also obtain information and avoid suffering regret by querying external sources. We study the trade-off between the information an agent accumulates and the regret it suffers. We invoke information-theoretic methods for obtaining regret lower bounds, that also allow us to easily re-derive several known lower bounds. We introduce the first Bayesian regret lower bounds that depend on the information an agent accumulates. We also prove regret upper bounds using the amount of information the agent accumulates. These bounds show that information measured in bits, can be traded off for regret, measured in reward. Finally, we demonstrate the utility of these bounds in improving the performance of a question-answering task with large language models, allowing us to obtain valuable insights.

William Wang, Jiachen Li, Weixi Feng, Wenhu Chen

Latent Consistency Distillation (LCD) has emerged as a promising paradigm for efficient text-to-image synthesis. By distilling a latent consistency model (LCM) from a pre-trained teacher latent diffusion model (LDM), LCD facilitates the generation of high-fidelity images within merely 2 to 4 inference steps. However, the LCM's efficient inference is obtained at the cost of the sample quality. In this paper, we propose compensating the quality loss by aligning LCM's output with human preference during training. Specifically, we introduce Reward Guided LCD (RG-LCD), which integrates feedback from a reward model (RM) into the LCD process by augmenting the original LCD loss with the objective of maximizing the reward associated with LCM's single-step generation. As validated through human evaluation, when trained with the feedback of a good RM, the 2-step generations from our RG-LCM are favored by humans over the 50-step DDIM samples from the teacher LDM, representing a 25-time inference acceleration without quality loss. As directly optimizing towards differentiable RMs can suffer from over-optimization, we take the initial step to overcome this difficulty by proposing the use of a latent proxy RM (LRM). This novel component serves as an intermediary, connecting our LCM with the RM. Empirically, we demonstrate that incorporating the LRM into our RG-LCD successfully avoids high-frequency noise in the generated images, contributing to both improved Fréchet Inception Distance (FID) on MS-COCO and a higher HPSv2.1 score on HPSv2's test set, surpassing those achieved by the baseline LCM. Project Page: https://rg-lcd.github.io/

Deep Learning · Generative Models and Autoencoders

Yumeng Li, William H Beluch, Margret Keuper, Dan Zhang, Anna Khoreva

Despite tremendous progress in the field of text-to-video (T2V) synthesis, open-sourced T2V diffusion models struggle to generate longer videos with dynamically varying and evolving content. They tend to synthesize quasi-static videos, ignoring the necessary visual change-over-time implied in the text prompt. Meanwhile, scaling these models to enable longer, more dynamic video synthesis often remains computationally intractable. To tackle this challenge, we introduce the concept of Generative Temporal Nursing (GTN), where we adjust the generative process on the fly during inference to improve control over the temporal dynamics and enable generation of longer videos. We propose a method for GTN, dubbed VSTAR, which consists of two key ingredients: Video Synopsis Prompting (VSP) and Temporal Attention Regularization (TAR), the latter being our core contribution. Based on a systematic analysis, we discover that the temporal units in pretrained T2V models are crucial to control the video dynamics. Upon this finding, we propose a novel regularization technique to refine the temporal attention, enabling training-free longer video synthesis in a single inference pass. For prompts involving visual progression, we leverage LLMs to generate video synopsis - description of key visual states - based on the original prompt to provide better guidance along the temporal axis. We experimentally showcase the superiority of our method in synthesizing longer, visually appealing videos over open-sourced T2V models.

Deep Learning · Large Language Models

Zhuowei Chen, qiannan zhang, Shichao Pei

Jailbreak backdoor attacks on LLMs have garnered attention for their effectiveness and stealth. However, existing methods rely on the crafting of poisoned datasets and the time-consuming process of fine-tuning. In this work, we propose JailbreakEdit, a novel jailbreak backdoor injection method that exploits model editing techniques to inject a universal jailbreak backdoor into safety-aligned LLMs with minimal intervention *in minutes*. JailbreakEdit integrates a multi-node target estimation to estimate the jailbreak space, thus creating shortcuts from the backdoor to this estimated jailbreak space that induce jailbreak actions. Our attack effectively shifts the models' attention by attaching strong semantics to the backdoor, enabling it to bypass internal safety mechanisms. Experimental results show that JailbreakEdit achieves a high jailbreak success rate on jailbreak prompts while preserving generation quality, and safe performance on normal queries. Our findings underscore the effectiveness, stealthiness, and explainability of JailbreakEdit, emphasizing the need for more advanced defense mechanisms in LLMs.

Deep Learning · Generative Models and Autoencoders

Ryien Hosseini, Filippo Simini, Venkatram Vishwanath, Rebecca Willett, Henry Hoffmann

Deep generative models have recently achieved significant success in modeling graph data, including dynamic graphs, where topology and features evolve over time. However, unlike in vision and natural language domains, evaluating generative models for dynamic graphs is challenging due to the difficulty of visualizing their output, making quantitative metrics essential. In this work, we develop a new quality metric for evaluating generative models of dynamic graphs. Current metrics for dynamic graphs typically involve discretizing the continuous-evolution of graphs into static snapshots and then applying conventional graph similarity measures. This approach has several limitations: (a) it models temporally related events as i.i.d. samples, failing to capture the non-uniform evolution of dynamic graphs; (b) it lacks a unified measure that is sensitive to both features and topology; (c) it fails to provide a scalar metric, requiring multiple metrics without clear superiority; and (d) it requires explicitly instantiating each static snapshot, leading to impractical runtime demands that hinder evaluation at scale. We propose a novel metric based on the Johnson-Lindenstrauss lemma, applying random projections directly to dynamic graph data. This results in an expressive, scalar, and application-agnostic measure of dynamic graph similarity that overcomes the limitations of traditional methods. We also provide a comprehensive empirical evaluation of metrics for continuous-time dynamic graphs, demonstrating the effectiveness of our approach compared to existing methods. Our implementation is available at https://github.com/ryienh/jl-metric.

Deep Learning · Generative Models and Autoencoders

Alireza Ganjdanesh, Reza Shirkavand, Shangqian Gao, Heng Huang

Text-to-image (T2I) diffusion models have demonstrated impressive image generation capabilities. Still, their computational intensity prohibits resource-constrained organizations from deploying T2I models after fine-tuning them on their internal *target* data. While pruning techniques offer a potential solution to reduce the computational burden of T2I models, static pruning methods use the same pruned model for all input prompts, overlooking the varying capacity requirements of different prompts. Dynamic pruning addresses this issue by utilizing a separate sub-network for each prompt, but it prevents batch parallelism on GPUs. To overcome these limitations, we introduce Adaptive Prompt-Tailored Pruning (APTP), a novel prompt-based pruning method designed for T2I diffusion models. Central to our approach is a *prompt router* model, which learns to determine the required capacity for an input text prompt and routes it to an architecture code, given a total desired compute budget for prompts. Each architecture code represents a specialized model tailored to the prompts assigned to it, and the number of codes is a hyperparameter. We train the prompt router and architecture codes using contrastive learning, ensuring that similar prompts are mapped to nearby codes. Further, we employ optimal transport to prevent the codes from collapsing into a single one. We demonstrate APTP's effectiveness by pruning Stable Diffusion (SD) V2.1 using CC3M and COCO as *target* datasets. APTP outperforms the single-model pruning baselines in terms of FID, CLIP, and CMMD scores. Our analysis of the clusters learned by APTP reveals they are semantically meaningful. We also show that APTP can automatically discover previously empirically found challenging prompts for SD, *e.g.,* prompts for generating text images, assigning them to higher capacity codes.

Social Aspects · Trustworthy Machine Learning

Jun-Yu Ma, Hong Wang, Hao-Xiang Xu, Zhen-Hua Ling, Jia-Chen Gu

Model editing is an emerging field that focuses on updating the knowledge embedded within large language models (LLMs) without extensive retraining. However, current model editing methods significantly compromise the general abilities of LLMs as the number of edits increases, and this trade-off poses a substantial challenge to the continual learning of LLMs. In this paper, we first theoretically analyze that the factor affecting the general abilities in sequential model editing lies in the condition number of the edited matrix. The condition number of a matrix represents its numerical sensitivity, and therefore can be used to indicate the extent to which the original knowledge associations stored in LLMs are perturbed after editing. Subsequently, statistical findings demonstrate that the value of this factor becomes larger as the number of edits increases, thereby exacerbating the deterioration of general abilities. To this end, a framework termed Perturbation Restraint on Upper bouNd for Editing (PRUNE) is proposed, which applies the condition number restraints in sequential editing. These restraints can lower the upper bound on perturbation to edited models, thus preserving the general abilities.Systematically, we conduct experiments employing three editing methods on three LLMs across four downstream tasks.The results show that PRUNE can preserve general abilities while maintaining the editing performance effectively in sequential model editing. The code are available at https://github.com/mjy1111/PRUNE.

Optimization · Sampling and Optimization

Sebastian Sanokowski, Wilhelm Berghammer, Haoyu Wang, Martin Ennemoser, Sepp Hochreiter, Sebastian Lehner

Learning to sample from complex unnormalized distributions over discrete domains emerged as a promising research direction with applications in statistical physics, variational inference, and combinatorial optimization. Recent work has demonstrated the potential of diffusion models in this domain. However, existing methods face limitations in memory scaling and thus the number of attainable diffusion steps since they require backpropagation through the entire generative process. To overcome these limitations we introduce two novel training methods for discrete diffusion samplers, one grounded in the policy gradient theorem and the other one leveraging Self-Normalized Neural Importance Sampling (SN-NIS). These methods yield memory-efficient training and achieve state-of-the-art results in unsupervised combinatorial optimization.Numerous scientific applications additionally require the ability of unbiased sampling. We introduce adaptations of SN-NIS and Neural Markov Chain Monte Carlo that enable for the first time the application of discrete diffusion models to this problem. We validate our methods on Ising model benchmarks and find that they outperform popular autoregressive approaches. Our work opens new avenues for applying diffusion models to a wide range of scientific applications in discrete domains that were hitherto restricted to exact likelihood models.

Sheryl Hsu, Omar Khattab, Chelsea Finn, Archit Sharma

The hallucinations of large language models (LLMs) are increasingly mitigated by allowing LLMs to search for information and to ground their answers in real sources. Unfortunately, LLMs often struggle with posing the right search queries, especially when dealing with complex or otherwise indirect topics. Observing that LLMs can learn to search for relevant facts by $\textit{trying}$ different queries and learning to up-weight queries that successfully produce relevant results, we introduce $\underline{Le}$arning to $\underline{Re}$trieve by $\underline{T}$rying (LeReT), a reinforcement learning framework that explores search queries and uses preference-based optimization to improve their quality. LeReT can improve the absolute retrieval accuracy by up to 29\% and the downstream generator evaluations by 17\%. The simplicity and flexibility of LeReT allows it to be applied to arbitrary off-the-shelf retrievers and makes it a promising technique for improving general LLM pipelines.

Theory · Online Learning and Bandits

Zhuohua Li, Maoli Liu, Xiangxiang Dai, John C.S. Lui

The contextual multi-armed bandit (MAB) problem is crucial in sequential decision-making. A line of research, known as online clustering of bandits, extends contextual MAB by grouping similar users into clusters, utilizing shared features to improve learning efficiency. However, existing algorithms, which rely on the upper confidence bound (UCB) strategy, struggle to gather adequate statistical information to accurately identify unknown user clusters. As a result, their theoretical analyses require several strong assumptions about the "diversity" of contexts generated by the environment, leading to impractical settings, complicated analyses, and poor practical performance. Removing these assumptions has been a long-standing open problem in the clustering of bandits literature. In this work, we provide two partial solutions. First, we introduce an additional exploration phase to accelerate the identification of clusters. We integrate this general strategy into both graph-based and set-based algorithms and propose two new algorithms, UniCLUB and UniSCLUB. Remarkably, our algorithms require substantially weaker assumptions and simpler theoretical analyses while achieving superior cumulative regret compared to previous studies. Second, inspired by the smoothed analysis framework, we propose a more practical setting that eliminates the requirement for i.i.d. context generation used in previous studies, thus enhancing the performance of existing algorithms for online clustering of bandits. Extensive evaluations on both synthetic and real-world datasets demonstrate that our proposed algorithms outperform existing approaches.

Applications · Robotics

Jiafei Duan, Wilbert Pumacay, Nishanth Kumar, Yi Ru Wang, Shulin Tian, Wentao Yuan, Ranjay Krishna, Dieter Fox, Ajay Mandlekar, Yijie Guo

Robotic manipulation in open-world settings requires not only task execution but also the ability to detect and learn from failures. While recent advances in vision-language models (VLMs) and large language models (LLMs) have improved robots' spatial reasoning and problem-solving abilities, they still struggle with failure recognition, limiting their real-world applicability. We introduce AHA, an open-source VLM designed to detect and reason about failures in robotic manipulation using natural language. By framing failure detection as a free-form reasoning task, AHA identifies failures and provides detailed, adaptable explanations across different robots, tasks, and environments. We fine-tuned AHA using FailGen, a scalable framework that generates the first large-scale dataset of robotic failure trajectories, the AHA dataset. FailGen achieves this by procedurally perturbing successful demonstrations from simulation. Despite being trained solely on the AHA dataset, AHA generalizes effectively to real-world failure datasets, robotic systems, and unseen tasks. It surpasses the second-best model (GPT-4o in-context learning) by 10.3% and exceeds the average performance of six compared models including five state-of-the-art VLMs by 35.3% across multiple metrics and datasets. We integrate AHA into three manipulation frameworks that utilize LLMs/VLMs for reinforcement learning, task and motion planning, and zero-shot trajectory generation. AHA’s failure feedback enhances these policies' performances by refining dense reward functions, optimizing task planning, and improving sub-task verification, boosting task success rates by an average of 21.4% across all three tasks compared to GPT-4 models. Project page: https://aha-vlm.github.io

Deep Learning · Graph Neural Networks

Zhikai Chen, Han Xie, Jian Zhang, Xiang song, Jiliang Tang, Huzefa Rangwala, George Karypis

Recent years have witnessed significant advancements in graph machine learning (GML), with its applications spanning numerous domains. However, the focus of GML has predominantly been on developing powerful models, often overlooking a crucial initial step: constructing suitable graphs from common data formats, such as tabular data.This construction process is fundamental to applying graph-based models, yet it remains largely understudied and lacks formalization.Our research aims to address this gap by formalizing the graph construction problem and proposing an effective solution. We identify two critical challenges to achieve this goal: 1. The absence of dedicated datasets to formalize and evaluate the effectiveness of graph construction methods, and 2. Existing automatic construction methods can only be applied to some specific cases, while tedious human engineering is required to generate high-quality graphs. To tackle these challenges, we present a two-fold contribution.First, we introduce a set of datasets to formalize and evaluate graph construction methods. Second, we propose an LLM-based solution, AutoG, automatically generating high-quality graph schemas without human intervention.The experimental results demonstrate that the quality of constructed graphs is critical to downstream task performance, and AutoG can generate high-quality graphs that rival those produced by human experts. Our code can be accessible from https://github.com/amazon-science/Automatic-Table-to-Graph-Generation.