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Applications · Everything Else

Seong-Joon Park, Hee-Youl Kwak, Sang-Hyo Kim, Yongjune Kim, Jong-Seon No

Error correcting codes (ECCs) are indispensable for reliable transmission in communication systems. Recent advancements in deep learning have catalyzed the exploration of ECC decoders based on neural networks. Among these, transformer-based neural decoders have achieved state-of-the-art decoding performance. In this paper, we propose a novel Cross-Attention Message-Passing Transformer (CrossMPT), which shares key operational principles with conventional message-passing decoders. While conventional transformer-based decoders employ a self-attention mechanism without distinguishing between magnitude and syndrome embeddings, CrossMPT updates these two types of embeddings separately and iteratively via two masked cross-attention blocks. The mask matrices are determined by the code's parity-check matrix, which explicitly captures and removes irrelevant relationships between the magnitude and syndrome embeddings. Our experimental results show that CrossMPT significantly outperforms existing neural network-based decoders for various code classes. Notably, CrossMPT achieves this decoding performance improvement while significantly reducing memory usage, computational complexity, inference time, and training time.

Applications · Time Series

Yue Cheng, Bochen Lyu, Weiwei Xing, Zhanxing Zhu

Understanding the dynamics of causal structures is crucial for uncovering the underlying processes in time series data. Previous approaches rely on static assumptions, where contemporaneous and time-lagged dependencies are assumed to have invariant topological structures. However, these models fail to capture the evolving causal relationship between variables when the underlying process exhibits such dynamics. To address this limitation, we propose DyCAST, a novel framework designed to learn dynamic causal structures in time series using Neural Ordinary Differential Equations (Neural ODEs). The key innovation lies in modeling the temporal dynamics of the contemporaneous structure, drawing inspiration from recent advances in Neural ODEs on constrained manifolds. We reformulate the task of learning causal structures at each time step as solving the solution trajectory of a Neural ODE on the directed acyclic graph (DAG) manifold. To accommodate high-dimensional causal structures, we extend DyCAST by learning the temporal dynamics of the hidden state for contemporaneous causal structure. Experiments on both synthetic and real-world datasets demonstrate that DyCAST achieves superior or comparable performance compared to existing causal discovery models.

Bochen Lyu, Di Wang, Zhanxing Zhu

Transformers and many other deep learning models are empirically shown to predictably enhance their performance as a power law in training time, model size, or the number of training data points, which is termed as the neural scaling law. This paper studies this intriguing phenomenon particularly for the transformer architecture in theoretical setups. Specifically, we propose a framework for linear self-attention, the underpinning block of transformer without softmax, to learn in an in-context manner, where the corresponding learning dynamics is modeled as a non-linear ordinary differential equation (ODE) system. Furthermore, we establish a procedure to derive a tractable approximate solution for this ODE system by reformulating it as a *Riccati equation*, which allows us to precisely characterize neural scaling laws for linear self-attention with training time, model size, data size, and the optimal compute. In addition, we reveal that the linear self-attention shares similar neural scaling laws with several other architectures when the context sequence length of the in-context learning is fixed, otherwise it would exhibit a different scaling law of training time.

Deep Learning · Graph Neural Networks

Hongliang Chi, Qiong Wu, Zhengyi Zhou, Yao Ma

Graph Neural Networks (GNNs) have demonstrated remarkable performance in various graph-based machine learning tasks, yet evaluating the importance of neighbors of testing nodes remains largely unexplored due to the challenge of assessing data importance without test labels. To address this gap, we propose Shapley-Guided Utility Learning (SGUL), a novel framework for graph inference data valuation. SGUL innovatively combines transferable data-specific and modelspecific features to approximate test accuracy without relying on ground truth labels. By incorporating Shapley values as a preprocessing step and using feature Shapley values as input, our method enables direct optimization of Shapley value prediction while reducing computational demands. SGUL overcomes key limitations of existing methods, including poor generalization to unseen test-time structures and indirect optimization. Experiments on diverse graph datasets demonstrate that SGUL consistently outperforms existing baselines in both inductive and transductive settings. SGUL offers an effective, efficient, and interpretable approach for quantifying the value of test-time neighbors.

Applications · Time Series

Xingwei Qu, yuelin bai, Yinghao MA, Ziya Zhou, Ka Man Lo, JIAHENG LIU, Ruibin Yuan, Lejun Min, Xueling Liu, Tianyu Zhang 等

In this paper, we explore the application of Large Language Models (LLMs) to the pre-training of music. While the prevalent use of MIDI in music modeling is well-established, our findings suggest that LLMs are inherently more compatible with ABC Notation, which aligns more closely with their design and strengths, thereby enhancing the model's performance in musical composition.To address the challenges associated with misaligned measures from different tracks during generation, we propose the development of a $\underline{S}$ynchronized $\underline{M}$ulti-$\underline{T}$rack ABC Notation ($\textbf{SMT-ABC Notation}$), which aims to preserve coherence across multiple musical tracks. Our contributions include a series of models capable of handling up to 8192 tokens, covering 90\% of the symbolic music data in our training set. Furthermore, we explore the implications of the $\underline{S}$ymbolic $\underline{M}$usic $\underline{S}$caling Law ($\textbf{SMS Law}$) on model performance. The results indicate a promising research direction in music generation, offering extensive resources for further research through our open-source contributions.

Applications · Physics

Bin Cao, Yang Liu, Zinan Zheng, Ruifeng Tan, Jia Li, Tong-Yi Zhang

Powder X-ray diffraction (XRD) patterns are highly effective for crystal identification and play a pivotal role in materials discovery. While machine learning (ML) has advanced the analysis of powder XRD patterns, progress has been constrained by the limited availability of training data and established benchmarks. To address this, we introduce SimXRD, the largest open-source simulated XRD pattern dataset to date, aimed at accelerating the development of crystallographic informatics. We developed a novel XRD simulation method that incorporates comprehensive physical interactions, resulting in a high-fidelity database. SimXRD comprises 4,065,346 simulated powder XRD patterns, representing 119,569 unique crystal structures under 33 simulated conditions that reflect real-world variations. We benchmark 21 sequence models in both in-library and out-of-library scenarios and analyze the impact of class imbalance in long-tailed crystal label distributions. Remarkably, we find that: (1) current neural networks struggle with classifying low-frequency crystals, particularly in out-of-library situations; (2) models trained on SimXRD can generalize to real experimental data.

Yang Liu, Zinan Zheng, Jiashun Cheng, Fugee Tsung, Deli Zhao, Yu Rong, Jia Li

Accurate Subseasonal-to-Seasonal (S2S) climate forecasting is pivotal for decision-making including agriculture planning and disaster preparedness but is known to be challenging due to its chaotic nature. Although recent data-driven models have shown promising results, their performance is limited by inadequate consideration of geometric inductive biases. Usually, they treat the spherical weather data as planar images, resulting in an inaccurate representation of locations and spatial relations. In this work, we propose the geometric-inspired Circular Transformer (CirT) to model the cyclic characteristic of the graticule, consisting of two key designs: (1) Decomposing the weather data by latitude into circular patches that serve as input tokens to the Transformer; (2) Leveraging Fourier transform in self-attention to capture the global information and model the spatial periodicity. Extensive experiments on the Earth Reanalysis 5 (ERA5) reanalysis dataset demonstrate our model yields a significant improvement over the advanced data-driven models, including PanguWeather and GraphCast, as well as skillful ECMWF systems. Additionally, we empirically show the effectiveness of our model designs and high-quality prediction over spatial and temporal dimensions.

Deep Learning · Large Language Models

Qingchen Yu, Zifan Zheng, Shichao Song, Zhiyu li, Feiyu Xiong, Bo Tang, Ding Chen

The continuous advancement of large language models (LLMs) has brought increasing attention to the critical issue of developing fair and reliable methods for evaluating their performance. Particularly, the emergence of cheating phenomena, such as test set leakage and prompt format overfitting, poses significant challenges to the reliable evaluation of LLMs. As evaluation frameworks commonly use Regular Expression (RegEx) for answer extraction, models may adjust their responses to fit formats easily handled by RegEx. Nevertheless, the key answer extraction module based on RegEx frequently suffers from extraction errors. Furthermore, recent studies proposing fine-tuned LLMs as judge models for automated evaluation face challenges in terms of generalization ability and fairness. This paper comprehensively analyzes the entire LLM evaluation chain and demonstrates that optimizing the key answer extraction module improves extraction accuracy and enhances evaluation reliability. Our findings suggest that improving the key answer extraction module can lead to higher judgment accuracy and improved evaluation efficiency compared to the judge models. To address these issues, we propose xFinder, a novel evaluator for answer extraction and matching in LLM evaluation. As part of this process, we create a specialized dataset, the Key Answer Finder (KAF) dataset, to ensure effective model training and evaluation. Generalization tests and real-world evaluations show that the smallest xFinder model, with only 500 million parameters, achieves an average extraction accuracy of 93.42\%. In contrast, RegEx accuracy in the best evaluation framework is 74.38\%. The final judgment accuracy of xFinder reaches 97.61\%, outperforming existing evaluation frameworks and judge models.

YiFan Zhang, Huanyu Zhang, Haochen Tian, Chaoyou Fu, Shuangqing Zhang, Junfei Wu, Feng Li, Kun Wang, Qingsong Wen, Zhang Zhang 等

Comprehensive evaluation of Multimodal Large Language Models (MLLMs) has recently garnered widespread attention in the research community. However, we observe that existing benchmarks present several common barriers that make it difficult to measure the significant challenges that models face in the real world, including: 1) small data scale leads to a large performance variance; 2) reliance on model-based annotations results in restricted data quality; 3) insufficient task difficulty, especially caused by the limited image resolution. To tackle these issues, we introduce MME-RealWorld. Specifically, we collect more than $300$ K images from public datasets and the Internet, filtering $13,366$ high-quality images for annotation. This involves the efforts of professional $25$ annotators and $7$ experts in MLLMs, contributing to $29,429$ question-answer pairs that cover $43$ subtasks across $5$ real-world scenarios, extremely challenging even for humans. As far as we know, **MME-RealWorld is the largest manually annotated benchmark to date, featuring the highest resolution and a targeted focus on real-world applications**. We further conduct a thorough evaluation involving $29$ prominent MLLMs, such as GPT-4o, Gemini 1.5 Pro, and Claude 3.5 Sonnet. Our results show that even the most advanced models struggle with our benchmarks, where none of them reach 60\% accuracy. The challenges of perceiving high-resolution images and understanding complex real-world scenarios remain urgent issues to be addressed. The data and evaluation code are released in our Project Page.

Deep Learning · Robustness

Rui Qiao, Zhaoxuan Wu, Jingtan Wang, Pang Wei Koh, Bryan Kian Hsiang Low

Machine learning models often have uneven performance among subpopulations(a.k.a., groups) in the data distributions. This poses a significant challenge for themodels to generalize when the proportions of the groups shift during deployment.To improve robustness to such shifts, existing approaches have developed strategiesthat train models or perform hyperparameter tuning using the group-labeled datato minimize the worst-case loss over groups. However, a non-trivial amount ofhigh-quality labels is often required to obtain noticeable improvements. Giventhe costliness of the labels, we propose to adopt a different paradigm to enhancegroup label efficiency: utilizing the group-labeled data as a target set to optimizethe weights of other group-unlabeled data. We introduce Group-robust SampleReweighting (GSR), a two-stage approach that first learns the representations fromgroup-unlabeled data, and then tinkers the model by iteratively retraining its lastlayer on the reweighted data using influence functions. Our GSR is theoreticallysound, practically lightweight, and effective in improving the robustness to sub-population shifts. In particular, GSR outperforms the previous state-of-the-artapproaches that require the same amount or even more group labels. Our code isavailable at https://github.com/qiaoruiyt/GSR.

Deep Learning · Robustness

Anirudh Sundara Rajan, Utkarsh Ojha, Jedidiah Schloesser, Yong Jae Lee

As latent diffusion models (LDMs) democratize image generation capabilities, there is a growing need to detect fake images. A good detector should focus on the generative model’s fingerprints while ignoring image properties such as semantic content, resolution, file format, etc. Fake image detectors are usually built in a data-driven way, where a model is trained to separate real from fake images. Existing works primarily investigate network architecture choices and training recipes. In this work, we argue that in addition to these algorithmic choices, we also require a well-aligned dataset of real/fake images to train a robust detector. For the family of LDMs, we propose a very simple way to achieve this: we reconstruct all the real images using the LDM's autoencoder, without any denoising operation. We then train a model to separate these real images from their reconstructions. The fakes created this way are extremely similar to the real ones in almost every aspect (e.g., size, aspect ratio, semantic content), which forces the model to look for the LDM decoder's artifacts. We empirically show that this way of creating aligned real/fake datasets, which also sidesteps the computationally expensive denoising process, helps in building a detector that focuses less on spurious correlations, something that a very popular existing method is susceptible to. Finally, to demonstrate the effectivenss of dataset alignment, we build a detector using images that are not natural objects, and present promising results. Overall, our work identifies the subtle but significant issues that arise when training a fake image detector and proposes a simple and inexpensive solution to address these problems.

Applications · Computer Vision

Yizhi Song, Liu He, Zhifei Zhang, Soo Ye Kim, HE Zhang, Wei Xiong, Zhe Lin, Brian Price, Scott Cohen, Jianming Zhang 等

Personalized image generation has emerged from the recent advancements in generative models. However, these generated personalized images often suffer from localized artifacts such as incorrect logos, reducing fidelity and fine-grained identity details of the generated results. Furthermore, there is little prior work tackling this problem. To help improve these identity details in the personalized image generation, we introduce a new task: reference-guided artifacts refinement. We present Refine-by-Align, a first-of-its-kind model that employs a diffusion-based framework to address this challenge. Our model consists of two stages: Alignment Stage and Refinement Stage, which share weights of a unified neural network model. Given a generated image, a masked artifact region, and a reference image, the alignment stage identifies and extracts the corresponding regional features in the reference, which are then used by the refinement stage to fix the artifacts. Our model-agnostic pipeline requires no test-time tuning or optimization. It automatically enhances image fidelity and reference identity in the generated image, generalizing well to existing models on various tasks including but not limited to customization, generative compositing, view synthesis, and virtual try-on. Extensive experiments and comparisons demonstrate that our pipeline greatly pushes the boundary of fine details in the image synthesis models.

Deep Learning · Large Language Models

Terry Yue Zhuo, Minh Chien Vu, Jenny Chim, Han Hu, Wenhao Yu, Ratnadira Widyasari, Imam Nur Bani Yusuf, Haolan Zhan, Junda He, Indraneil Paul 等

Task automation has been greatly empowered by the recent advances in Large Language Models (LLMs) via Python code, where the tasks range from software engineering development to general-purpose reasoning. While current benchmarks have shown that LLMs can solve tasks using programs like human developers, the majority of their evaluations are limited to short and self-contained algorithmic tasks or standalone function calls. Solving challenging and practical tasks requires the capability of utilizing **diverse function calls as tools** to efficiently implement functionalities like data analysis and web development. In addition, using multiple tools to solve a task needs compositional reasoning by accurately understanding **complex instructions**. Fulfilling both of these characteristics can pose a great challenge for LLMs. To assess how well LLMs can solve challenging and practical tasks via programs, we introduce BigCodeBench, a benchmark that challenges LLMs to invoke multiple function calls as tools from 139 libraries and 7 domains for 1,140 fine-grained tasks. To evaluate LLMs rigorously, each task encompasses 5.6 test cases with an average branch coverage of 99%. In addition, we propose a natural-language-oriented variant of BigCodeBench, BigCodeBench-Instruct, that automatically transforms the original docstrings into short instructions containing only essential information. Our extensive evaluation of 60 LLMs shows that **LLMs are not yet capable of following complex instructions to use function calls precisely, with scores up to 60%, significantly lower than the human performance of 97%**. The results underscore the need for further advancements in this area.

Deep Learning · Large Language Models

Jungwoo Park, Young Jin Ahn, Kee-Eung Kim, Jaewoo Kang

Understanding the internal computations of large language models (LLMs) is crucial for aligning them with human values and preventing undesirable behaviors like toxic content generation. However, mechanistic interpretability is hindered by *polysemanticity*—where individual neurons respond to multiple, unrelated concepts. While Sparse Autoencoders (SAEs) have attempted to disentangle these features through sparse dictionary learning, they have compromised LLM performance due to reliance on post-hoc reconstruction loss. To address this issue, we introduce **Mixture of Monosemantic Experts for Transformers (Monet)** architecture, which incorporates sparse dictionary learning directly into end-to-end Mixture-of-Experts pretraining. Our novel expert decomposition method enables scaling the expert count to 262,144 per layer while total parameters scale proportionally to the square root of the number of experts. Our analyses demonstrate mutual exclusivity of knowledge across experts and showcase the parametric knowledge encapsulated within individual experts. Moreover, **Monet** allows knowledge manipulation over domains, languages, and toxicity mitigation without degrading general performance. Our pursuit of transparent LLMs highlights the potential of scaling expert counts to enhance mechanistic interpretability and directly resect the internal knowledge to fundamentally adjust model behavior.

Social Aspects · Accountability, Transparency and Interpretability

Junseo Park, Hyeryung Jang

Large-scale diffusion models have made significant advances in image generation, particularly through cross-attention mechanisms. While cross-attention has been well-studied in text-to-image tasks, their interpretability in image-to-image (I2I) diffusion models remains underexplored. This paper introduces Image-to-Image Attribution Maps $(\textbf{I}^2\textbf{AM})$, a method that enhances the interpretability of I2I models by visualizing bidirectional attribution maps, from the reference image to the generated image and vice versa. $\text{I}^2\text{AM}$ aggregates cross-attention scores across time steps, attention heads, and layers, offering insights into how critical features are transferred between images. We demonstrate the effectiveness of $\text{I}^2\text{AM}$ across object detection, inpainting, and super-resolution tasks. Our results demonstrate that $\text{I}^2\text{AM}$ successfully identifies key regions responsible for generating the output, even in complex scenes. Additionally, we introduce the Inpainting Mask Attention Consistency Score (IMACS) as a novel evaluation metric to assess the alignment between attribution maps and inpainting masks, which correlates strongly with existing performance metrics. Through extensive experiments, we show that $\text{I}^2\text{AM}$ enables model debugging and refinement, providing practical tools for improving I2I model's performance and interpretability.

Deep Learning · Large Language Models

Terry Yue Zhuo, Minh Chien Vu, Jenny Chim, Han Hu, Wenhao Yu, Ratnadira Widyasari, Imam Nur Bani Yusuf, Haolan Zhan, Junda He, Indraneil Paul 等

Task automation has been greatly empowered by the recent advances in Large Language Models (LLMs) via Python code, where the tasks range from software engineering development to general-purpose reasoning. While current benchmarks have shown that LLMs can solve tasks using programs like human developers, the majority of their evaluations are limited to short and self-contained algorithmic tasks or standalone function calls. Solving challenging and practical tasks requires the capability of utilizing **diverse function calls as tools** to efficiently implement functionalities like data analysis and web development. In addition, using multiple tools to solve a task needs compositional reasoning by accurately understanding **complex instructions**. Fulfilling both of these characteristics can pose a great challenge for LLMs. To assess how well LLMs can solve challenging and practical tasks via programs, we introduce BigCodeBench, a benchmark that challenges LLMs to invoke multiple function calls as tools from 139 libraries and 7 domains for 1,140 fine-grained tasks. To evaluate LLMs rigorously, each task encompasses 5.6 test cases with an average branch coverage of 99%. In addition, we propose a natural-language-oriented variant of BigCodeBench, BigCodeBench-Instruct, that automatically transforms the original docstrings into short instructions containing only essential information. Our extensive evaluation of 60 LLMs shows that **LLMs are not yet capable of following complex instructions to use function calls precisely, with scores up to 60%, significantly lower than the human performance of 97%**. The results underscore the need for further advancements in this area.

Applications · Language, Speech and Dialog

Siru Ouyang, Wenhao Yu, Kaixin Ma, Zilin Xiao, Zhihan Zhang, Mengzhao Jia, Jiawei Han, Hongming Zhang, Dong Yu

Large Language Models (LLMs) excel in code generation yet struggle with modern AI software engineering tasks. Unlike traditional function-level or file-level coding tasks, AI software engineering requires not only basic coding proficiency but also advanced skills in managing and interacting with code repositories. However, existing methods often overlook the need for repository-level code understanding, which is crucial for accurately grasping the broader context and developing effective solutions. On this basis, we present RepoGraph, a plug-in module that manages a repository-level structure for modern AI software engineering solutions. RepoGraph offers the desired guidance and serves as a repository-wide navigation for AI software engineers. We evaluate RepoGraph on the SWE-bench by plugging it into four different methods of two lines of approaches, where RepoGraph substantially boosts the performance of all systems, leading to a new state-of-the-art among open-source frameworks. Our analyses also demonstrate the extensibility and flexibility of RepoGraph by testing on another repo-level coding benchmark, CrossCodeEval. Our code is available at https://github.com/ozyyshr/RepoGraph.

Applications · Computer Vision

Ziming Zhang, Fangzhou Lin, Haotian Liu, Jose Morales, Haichong Zhang, Kazunori Yamada, Vijaya Kolachalama, Venkatesh Saligrama

Set-to-set matching aims to identify correspondences between two sets of unordered items by minimizing a distance metric or maximizing a similarity measure. Traditional metrics, such as Chamfer Distance (CD) and Earth Mover’s Distance (EMD), are widely used for this purpose but often suffer from limitations like suboptimal performance in terms of accuracy and robustness, or high computational costs - or both. In this paper, we propose a novel, simple yet effective set-to-set matching similarity measure, GPS, based on Gumbel prior distributions. These distributions are typically used to model the extrema of samples drawn from various distributions. Our approach is motivated by the observation that the distributions of minimum distances from CD, as encountered in real world applications such as point cloud completion, can be accurately modeled using Gumbel distributions. We validate our method on tasks like few-shot image classification and 3D point cloud completion, demonstrating significant improvements over state of-the-art loss functions across several benchmark datasets. Our demo code is publicly available at https://github.com/Zhang-VISLab/ICLR2025-GPS

Social Aspects · Privacy-preserving Statistics and Machine Learning

Zhihao Zhu, Yi Yang, Defu Lian

Training Data Detection (TDD) is a task aimed at determining whether a specific data instance is used to train a machine learning model. In the computer security literature, TDD is also referred to as Membership Inference Attack (MIA). Given its potential to assess the risks of training data breaches, ensure copyright authentication, and verify model unlearning, TDD has garnered significant attention in recent years, leading to the development of numerous methods. Despite these advancements, there is no comprehensive benchmark to thoroughly evaluate the effectiveness of TDD methods.In this work, we introduce TDDBench, which consists of 13 datasets spanning three data modalities: image, tabular, and text. We benchmark 21 different TDD methods across four detection paradigms and evaluate their performance from five perspectives: average detection performance, best detection performance, memory consumption, and computational efficiency in both time and memory. With TDDBench, researchers can identify bottlenecks and areas for improvement in TDD algorithms, while practitioners can make informed trade-offs between effectiveness and efficiency when selecting TDD algorithms for specific use cases. Our extensive experiments also reveal the generally unsatisfactory performance of TDD algorithms across different datasets. To enhance accessibility and reproducibility, we open-source TDDBench for the research community at https://github.com/zzh9568/TDDBench.

Applications · Computer Vision

Mu Cai, Jianwei Yang, Jianfeng Gao, Yong Jae Lee

Large Multimodal Models (LMMs) such as LLaVA have shown strong performance in visual-linguistic reasoning. These models first embed images into a fixed large number of visual tokens and then feed them into a Large Language Model (LLM). However, this design causes an excessive number of tokens for dense visual scenarios such as high-resolution images and videos, leading to great inefficiency. While token pruning/merging methods do exist, they produce a single length output for each image and do not afford flexibility in trading off information density v.s. efficiency. Inspired by the concept of Matryoshka Dolls, we propose : Matryoshka Multimodal Models, which learns to represent visual content as nested sets of visual tokens that capture information across multiple coarse-to-fine granularities. Our approach offers several unique benefits for LMMs: (1) One can explicitly control the visual granularity per test instance during inference, e.g. , adjusting the number of tokens used to represent an image based on the anticipated complexity or simplicity of the content; (2) provides a framework for analyzing the granularity needed for existing datasets, where we find that COCO-style benchmarks only need around 9 visual tokens to obtain accuracy similar to that of using all 576 tokens; (3) Our approach provides a foundation to explore the best trade-off between performance and visual token length at sample level, where our investigation reveals that a large gap exists between the oracle upper bound and current fixed-scale representations.