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

Yunjia Qi, Hao Peng, Xiaozhi Wang, Amy Xin, Youfeng Liu, Bin Xu, Lei Hou, Juanzi Li

Large Language Models (LLMs) have demonstrated advanced capabilities in real-world agentic applications. Growing research efforts aim to develop LLM-based agents to address practical demands, introducing a new challenge: agentic scenarios often involve lengthy instructions with complex constraints, such as extended system prompts and detailed tool specifications. While adherence to such instructions is crucial for agentic applications, whether LLMs can reliably follow them remains underexplored. In this paper, we introduce AgentIF, the first benchmark for systematically evaluating LLM instruction following ability in agentic scenarios. AgentIF features three key characteristics: (1) Realistic, constructed from $50$ real-world agentic applications. (2) Long, averaging $1,723$ words with a maximum of $15,630$ words. (3) Complex, averaging $11.9$ constraints per instruction, covering diverse constraint types, such as tool specifications and condition constraints.To construct AgentIF, we collect $707$ human-annotated instructions across $50$ agentic tasks from industrial application agents and open-source agentic systems. For each instruction, we annotate the associated constraints and corresponding evaluation metrics, including code-based evaluation, LLM-based evaluation, and hybrid code-LLM evaluation.We use AgentIF to systematically evaluate existing advanced LLMs. We observe that current models generally perform poorly, especially in handling complex constraint structures and tool specifications. We further conduct error analysis and analytical experiments on instruction length and meta constraints, providing some findings about the failure modes of existing LLMs. We have released the code and data to facilitate future research.

Computer Vision · Image and Video Generation

Zhekai Chen, Ruihang Chu, Yukang Chen, Shiwei Zhang, Yujie Wei, Yingya Zhang, Xihui Liu

Scaling visual generation models is essential for real-world content creation, yet requires substantial training and computational expenses. Alternatively, test-time scaling has garnered growing attention due to resource efficiency and promising performance. In this work, we present the first general test-time scaling framework for visual auto-regressive (VAR) models, TTS-VAR, modeling the generation process as a path searching problem. Inspired by VAR's hierarchical coarse-to-fine multi-scale generation, our framework integrates two key components: (i) At coarse scales, we observe that generated tokens are hard for evaluation, possibly leading to erroneous acceptance of inferior samples or rejection of superior samples. Noticing that the coarse scales contain sufficient structural information, we propose clustering-based diversity search. It preserves structural variety through semantic feature clustering, enabling later selection on samples with higher potential. (ii) In fine scales, resampling-based potential selection prioritizes promising candidates using potential scores, which are defined as reward functions incorporating multi-scale generation history. To dynamically balance computational efficiency with exploration capacity, we further introduce an adaptive descending batch size schedule throughout the causal generation process. Experiments on the powerful VAR model Infinity2B show a notable 8.7% GenEval score improvement (0.69→0.75). Key insights reveal that early-stage structural features effectively influence final quality, and resampling efficacy varies across generation scales.

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

Sheng Wang, Pengan CHEN, Jingqi Zhou, Qintong Li, Jingwei Dong, Jiahui Gao, Boyang XUE, Jiyue Jiang, Lingpeng Kong, Chuan Wu

Model customization necessitates high-quality and diverse datasets, but acquiring such data remains time-consuming and labor-intensive. Despite the great potential of large language models (LLMs) for data synthesis, current approaches are constrained by limited seed data, model biases and low-variation prompts, resulting in limited diversity and biased distribution with the increase of data scales. To tackle this challenge, we introduce TreeSynth, a tree-guided subspace-based data synthesis approach inspired by decision trees. It constructs a spatial partitioning tree to recursively divide a task-specific full data space (i.e., root node) into numerous atomic subspaces (i.e., leaf nodes) with mutually exclusive and exhaustive attributes to ensure both distinctiveness and comprehensiveness, before synthesizing samples within each atomic subspace. This globally divide-and-synthesize method finally collects subspace samples into a comprehensive dataset, effectively circumventing repetition and space collapse to ensure the diversity of large-scale data synthesis. Furthermore, the spatial partitioning tree enables sample allocation into atomic subspaces, allowing the re-balancing of existing datasets for more balanced and comprehensive distributions. Empirically, extensive experiments across diverse benchmarks consistently validates the superior data diversity, model performance, and robust scalability of TreeSynth compared to both human-crafted datasets and peer data synthesis methods, with the average performance gain reaching 10%. Besides, the consistent improvements of TreeSynth-balanced datasets highlight its efficacious application to redistribute existing datasets for more comprehensive coverage and the induced performance enhancement. The code is available at https://github.com/cpa2001/TreeSynth.

Applications · Time Series

Zhiding Liu, Mingyue Cheng, Guanhao Zhao, Jiqian Yang, Qi Liu, Enhong Chen

Time series forecasting plays a pivotal role in various real-world applications and has attracted significant attention in recent decades. While recent methods have achieved remarkable accuracy by incorporating advanced inductive biases and training strategies, we observe that instance-level variations remain a significant challenge. These variations—stemming from distribution shifts, missing data, and long-tail patterns—often lead to suboptimal forecasts for specific instances, even when overall performance appears strong. To address this issue, we propose a model-agnostic framework, PIR, designed to enhance forecasting performance through Post-forecasting Identification and Revision. Specifically, PIR first identifies biased forecast instances by estimating their predictive accuracy. Based on this, the framework revises the forecasts using contextual information, including covariates and historical time series, from both local and global perspectives in a post-processing fashion. Extensive experiments on real-world datasets with mainstream forecasting models demonstrate that PIR effectively mitigates instance-level errors and significantly improves forecasting reliability.

Theory · Reinforcement Learning and Planning

Sungee Hong, Jiayi Wang, Zhengling Qi, Raymond K. W. Wong

In reinforcement learning, distributional off-policy evaluation (OPE) focuses on estimating the return distribution of a target policy using offline data collected under a different policy. This work focuses on extending the widely used fitted Q-evaluation---developed for expectation-based reinforcement learning---to the distributional OPE setting. We refer to this extension as fitted distributional evaluation (FDE). While only a few related approaches exist, there remains no unified framework for designing FDE methods. To fill this gap, we present a set of guiding principles for constructing theoretically grounded FDE methods. Building on these principles, we develop several new FDE methods with convergence analysis and provide theoretical justification for existing methods, even in non-tabular environments. Extensive experiments, including simulations on linear quadratic regulators and Atari games, demonstrate the superior performance of the FDE methods.

Social Aspects

Mila Gorecki, Moritz Hardt

Two narratives about machine learning ecosystems grew out of recent algorithmic fairness discourse. In one, dubbed \emph{monoculture}, algorithmic ecosystems tend toward homogeneity akin to a single model making all decisions. Individuals then face the risk of systematic exclusion with no recourse. In the other, \emph{model multiplicity}, many models solve the same task with similar accuracy, causing excessive variation in outcomes. Both narratives are compelling, yet, seemingly at odds: model multiplicity can’t exist in a strict monoculture. In this work, we conduct a comprehensive empirical evaluation to test both claims. We work from the premise that increasingly decision makers will use large language models for consequential prediction tasks. We therefore examine 50 language models, open source models ranging in size from 1B to 141B parameters and state-of-the-art commercial models, under 4 different prompt variations, and across 6 different prediction tasks. Evaluating both new and old quantitative measures of monoculture and multiplicity, we find the empirical landscape sits between the two extremes. Each narrative finds some empirical support, but neither is dominant. Systematic exclusion with no recourse is rare, but model similarity is real. Even when starting from a single model, prompt variation induces some diversity in predictions. Our results contribute critical empirical grounding to ongoing debates and point toward a middle ground between monoculture and multiplicity as the most realistic outcome.

Applications · Language, Speech and Dialog

Youmin Ko, Sungjong Seo, Hyunjoon Kim

Since large language models (LLMs) have a tendency to generate factually inaccurate output, retrieval-augmented generation (RAG) has gained significant attention as a key means to mitigate this downside of harnessing only LLMs. However, existing RAG methods for simple and multi-hop question answering (QA) are still prone to incorrect retrievals and hallucinations. To address these limitations, we propose CoopRAG, a novel RAG framework for the question answering task in which a retriever and an LLM work cooperatively with each other by exchanging informative knowledge, and the earlier and later layers of the retriever model work cooperatively with each other to accurately rank the retrieved documents relevant to a given query. In this framework, we (i) unroll a question into sub-questions and a reasoning chain in which uncertain positions are masked, (ii) retrieve the documents relevant to the question augmented with the sub-questions and the reasoning chain, (iii) rerank the documents by contrasting layers of the retriever, and (iv) reconstruct the reasoning chain by filling the masked positions via the LLM. Our experiments demonstrate that CoopRAG consistently outperforms state-of-the-art QA methods on three multi-hop QA datasets as well as a simple QA dataset in terms of both the retrieval and QA performances. Our code is available.

Optimization · Stochastic & Convex Optimization

Sebastian Kassing, Simon Weissmann, Leif Döring

The present article studies the minimization of convex, $L$-smooth functions defined on a separable real Hilbert space. We analyze regularized stochastic gradient descent (reg-SGD), a variant of stochastic gradient descent that uses a Tikhonov regularization with time-dependent, vanishing regularization parameter. We prove strong convergence of reg-SGD to the minimum-norm solution of the original problem without additional boundedness assumptions. Moreover, we quantify the rate of convergence and optimize the interplay between step-sizes and regularization decay. Our analysis reveals how vanishing Tikhonov regularization controls the flow of SGD and yields stable learning dynamics, offering new insights into the design of iterative algorithms for convex problems, including those that arise in ill-posed inverse problems. We validate our theoretical findings through numerical experiments on image reconstruction and ODE-based inverse problems.

General Machine Learning · Transfer, Multitask and Meta-learning

Yiyang Liu, James Liang, Heng Fan, Wenhao Yang, Yiming Cui, Xiaotian Han, Lifu Huangg, Dongfang Liu, Qifan Wang, Cheng Han

Prompt-based learning has emerged as a parameter-efficient finetuning (PEFT) approach to facilitate Large Language Model (LLM) adaptation to downstream tasks by conditioning generation with task-aware guidance. Despite its successes, current prompt-based learning methods heavily rely on laborious grid searching for optimal prompt length and typically require considerable number of prompts, introducing additional computational burden. Worse yet, our pioneer findings indicate that the task-aware prompt design is inherently limited by its absence of instance-aware information, leading to a subtle attention interplay with the input sequence. In contrast, simply incorporating instance-aware information as a part of the guidance can enhance the prompt-tuned model performance without additional fine-tuning. Moreover, we find an interesting phenomenon, namely "attention anchor", that incorporating instance-aware tokens at the earliest position of the sequence can successfully preserve strong attention to critical structural information and exhibit more active attention interaction with all input tokens. In light of our observation, we introduce Capsule Prompt-Tuning (CaPT), an efficient and effective solution that leverages off-the-shelf, informative instance semantics into prompt-based learning. Our approach innovatively integrates both instance-aware and task-aware information in a nearly parameter-free manner (i.e., one single capsule prompt). Empirical results demonstrate that our method can exhibit superior performance across various language tasks (e.g., 84.03\% average accuracy on T5-Large), serving as an "attention anchor," while enjoying high parameter efficiency (e.g., 0.003\% of model parameters on Llama3.2-1B).

Applications · Language, Speech and Dialog

Andreas Opedal, Yanick Zengaffinen, Haruki Shirakami, Clemente Pasti, Mrinmaya Sachan, Abulhair Saparov, Ryan Cotterell, Bernhard Schölkopf

Modern language models (LMs) exhibit strong deductive reasoning capabilities, yet standard evaluations emphasize correctness while overlooking a key aspect of human-like reasoning: *efficiency*. In real-world reasoning scenarios, much of the available information is irrelevant, and effective deductive inference requires identifying and ignoring such distractions. We propose a framework for assessing LM reasoning efficiency through the lens of logic programming, introducing a simple method to align proofs written in natural language---as generated by an LM---with shortest proofs found by executing the logic program. Efficiency is quantified by measuring how well a model avoids unnecessary inference. Empirically, we construct a dataset of math word problems injected with various number of irrelevant axioms that vary in semantic overlap with the goal theorem. We find that current LMs show marked accuracy declines under such conditions---even with minimal, domain-consistent distractions---and the proofs they generate frequently exhibit detours through irrelevant inferences.

Optimization · Stochastic & Convex Optimization

Ferdinand Genans, Antoine Godichon-Baggioni, François-Xavier Vialard, Olivier Wintenberger

Adding entropic regularization to Optimal Transport (OT) problems has become a standard approach for designing efficient and scalable solvers. However, regularization introduces a bias from the true solution. To mitigate this bias while still benefiting from the acceleration provided by regularization, a natural solver would adaptively decrease the regularization as it approaches the solution. Although some algorithms heuristically implement this idea, their theoretical guarantees and the extent of their acceleration compared to using a fixed regularization remain largely open. In the setting of semi-discrete OT, where the source measure is continuous and the target is discrete, we prove that decreasing the regularization can indeed accelerate convergence. To this end, we introduce DRAG: Decreasing (entropic) Regularization Averaged Gradient, a stochastic gradient descent algorithm where the regularization decreases with the number of optimization steps. We provide a theoretical analysis showing that DRAG benefits from decreasing regularization compared to a fixed scheme, achieving an unbiased $\mathcal{O}(1/t)$ sample and iteration complexity for both the OT cost and the potential estimation, and a $\mathcal{O}(1/\sqrt{t})$ rate for the OT map. Our theoretical findings are supported by numerical experiments that validate the effectiveness of DRAG and highlight its practical advantages.

Changyao Tian, Hao Li, Gen Luo, Xizhou Zhu, Weijie Su, Hanming Deng, Jinguo Zhu, Jie Shao, Ziran Zhu, Yunpeng Liu 等

Compositional training has been the de-facto paradigm in existing Multimodal Large Language Models (MLLMs), where pre-trained vision encoders are connected with pre-trained LLMs through continuous multimodal pre-training. However, the multimodal scaling property of this paradigm remains difficult to explore due to the separated training. In this paper, we focus on the native training of MLLMs in an end-to-end manner and systematically study its design space and scaling property under a practical setting, i.e., data constraint. Through careful study of various choices in MLLM, we obtain the optimal meta-architecture that best balances performance and training cost. After that, we further explore the scaling properties of the native MLLM and indicate the positively correlated scaling relationship between visual encoders and LLMs. Based on these findings, we propose a native MLLM called NaViL, combined with a simple and cost-effective recipe. Experimental results on 14 multimodal benchmarks confirm the competitive performance of NaViL against existing MLLMs. Besides that, our findings and results provide in-depth insights for the future study of native MLLMs.

Applications · Everything Else

Fanhu Zeng, Haiyang Guo, Fei Zhu, Li Shen, Hao Tang

Fine-tuning pre-trained models with custom data leads to numerous expert models on specific tasks. Merging models into one universal model to empower multi-task ability refraining from data leakage has gained popularity. With the expansion in data and model size, parameter-efficient tuning becomes the common practice for obtaining task-specific models efficiently. However, few methods are dedicated to efficient merging, and existing methods designed for full fine-tuning merging fail under efficient merging. To address the issue, we analyze from low-rank decomposition and reveal that direction robustness during merging is crucial for merging efficient modules. We furthermore uncover that compensating for the gap between stark singular values contributes to direction robustness. Therefore, we propose RobustMerge, a training-free parameter-efficient merging method with complementary parameter adaptation to maintain direction robustness. Specifically, we (1) prune parameters and scale coefficients from inter-parameter relations for singular values to maintain direction stability away from task interference, and (2) perform cross-task normalization to enhance unseen task generalization. We establish a benchmark consisting of diverse multimodal tasks, on which we conduct experiments to certify the outstanding performance and generalizability of our method. Additional studies and extensive analyses further showcase the effectiveness.

Deep Learning · Robustness

Yixiao Chen, Shikun Sun, Jianshu Li, Ruoyu Li, Zhe Li, Junliang Xing

Adversarial attacks are widely used to evaluate model robustness, and in black-box scenarios, the transferability of these attacks becomes crucial. Existing generator-based attacks have excellent generalization and transferability due to their instance-agnostic nature. However, when training generators for multi-target tasks, the success rate of transfer attacks is relatively low due to the limitations of the model's capacity. To address these challenges, we propose a novel Dual-Flow framework for multi-target instance-agnostic adversarial attacks, utilizing Cascading Distribution Shift Training to develop an adversarial velocity function. Extensive experiments demonstrate that Dual-Flow significantly improves transferability over previous multi-target generative attacks. For example, it increases the success rate from Inception-v3 to ResNet-152 by 34.58%. Furthermore, our attack method shows substantially stronger robustness against defense mechanisms, such as adversarially trained models.

Computer Vision · Segmentation

Naga Venkata Sai Jitin Jami, Thomas Altstidl, Jonas Mueller, Jindong Li, Dario Zanca, Bjoern Eskofier, Heike Leutheuser

Random splitting of datasets in image segmentation often leads to unrepresentative test sets, resulting in biased evaluations and poor model generalization. While stratified sampling has proven effective for addressing label distribution imbalance in classification tasks, extending these ideas to segmentation remains challenging due to the multi-label structure and class imbalance typically present in such data. Building on existing stratification concepts, we introduce Iterative Pixel Stratification (IPS), a straightforward, label-aware sampling method tailored for segmentation tasks. Additionally, we present Wasserstein-Driven Evolutionary Stratification (WDES), a novel genetic algorithm designed to minimize the Wasserstein distance, thereby optimizing the similarity of label distributions across dataset splits. We prove that WDES is globally optimal given enough generations. Using newly proposed statistical heterogeneity metrics, we evaluate both methods against random sampling and find that WDES consistently produces more representative splits. Applying WDES across diverse segmentation tasks, including street scenes, medical imaging, and satellite imagery, leads to lower performance variance and improved model evaluation. Our results also highlight the particular value of WDES in handling small, imbalanced, and low-diversity datasets, where conventional splitting strategies are most prone to bias.

Applications · Language, Speech and Dialog

Shengda Fan, Xin Cong, Zhong Zhang, Yuepeng Fu, Yesai Wu, Hao Wang, Xinyu Zhang, Enrui Hu, Yankai Lin

Recent efforts to employ large language models (LLMs) as agents have demonstrated promising results in a wide range of multi-step agent tasks. However, existing agents lack an effective experience reuse approach to leverage historical completed tasks. In this paper, we propose a novel experience reuse framework MetaFlowLLM, which constructs a hierarchical experience tree from historically completed tasks. Each node in this experience tree is presented as a MetaFlow which contains static execution workflow and subtask required by agents to complete dynamically. Then, we propose a Hierarchical MetaFlow Merging algorithm to construct the hierarchical experience tree. When accomplishing a new task, MetaFlowLLM can first retrieve the most relevant MetaFlow node from the experience tree and then execute it accordingly. To effectively generate valid MetaFlows from historical data, we further propose a reinforcement learning pipeline to train the MetaFlowGen. Extensive experimental results on AppWorld and WorkBench demonstrate that integrating with MetaFlowLLM, existing agents (e.g., ReAct, Reflexion) can gain substantial performance improvement with reducing execution costs. Notably, MetaFlowLLM achieves an average success rate improvement of 32.3% on AppWorld and 6.2% on WorkBench, respectively.

Deep Learning · Algorithms

Bo Wang, Qinyuan Cheng, Runyu Peng, Rong Bao, Peiji Li, Qipeng Guo, Linyang Li, Zhiyuan Zeng, Yunhua Zhou, Xipeng Qiu

Post-training processes are essential phases in grounding pre-trained language models to real-world tasks, with learning from demonstrations or preference signals playing a crucial role in this adaptation. We present a unified theoretical framework bridging Supervised Fine-Tuning (SFT) and preference learning in Large Language Model (LLM) post-training. Through rigorous mathematical derivation, we demonstrate that both SFT and preference learning methods like Direct Preference Optimization (DPO) operate within the same optimal policy-reward subspace, with SFT representing a special case of implicit reward learning. Our analysis reveals a critical limitation in conventional SFT: the KL divergence term in distribution matching becomes constant with respect to the policy during optimization, failing to constrain model updates. To address this, we propose a simple yet effective learning rate reduction approach that yields significant performance improvements (up to \textbf{25\%} relative gain and \textbf{6\%} absolute win rate increase in instruction following tasks. Additionally, we derive alternative SFT objectives from various f-divergence functions that preserve the KL term during optimization, further enhancing post-DPO model performance. Finally, we extend the theoretical relationship between LLM logits and Q-functions from preference learning to the SFT context, providing mathematical derivations and experimental validation.

Applications

Weilun Feng, Haotong Qin, Chuanguang Yang, Xiangqi Li, Han Yang, Yuqi Li, Zhulin An, Libo Huang, Michele Magno, Yongjun Xu

Diffusion transformers have emerged as the mainstream paradigm for video generation models. However, the use of up to billions of parameters incurs significant computational costs. Quantization offers a promising solution by reducing memory usage and accelerating inference. Nonetheless, we observe that the joint modeling of spatial and temporal information in video diffusion models (V-DMs) leads to extremely long token sequences, which introduces high calibration variance and learning challenges. To address these issues, we propose **$S^2$Q-VDiT**, a post-training quantization framework for V-DMs that leverages **S**alient data and **S**parse token distillation. During the calibration phase, we identify that quantization performance is highly sensitive to the choice of calibration data. To mitigate this, we introduce *Hessian-aware Salient Data Selection*, which constructs high-quality calibration datasets by considering both diffusion and quantization characteristics unique to V-DMs. To tackle the learning challenges, we further analyze the sparse attention patterns inherent in V-DMs. Based on this observation, we propose *Attention-guided Sparse Token Distillation*, which exploits token-wise attention distributions to emphasize tokens that are more influential to the model's output. Under W4A6 quantization, $S^2$Q-VDiT achieves lossless performance while delivering $3.9\times$ model compression and $1.3\times$ inference acceleration. Code will be available at https://github.com/wlfeng0509/s2q-vdit.

Applications · Climate

Haobo Li, Eunseo Jung, Zixin CHEN, Zhaowei Wang, Yueya WANG, Huamin Qu, Alexis Lau

Multimodal time series forecasting is foundational in various fields, such as utilizing satellite imagery and numerical data for predicting typhoons in climate science. However, existing multimodal approaches primarily focus on utilizing text data to help time series forecasting, leaving the visual data in existing time series datasets underexplored. Furthermore, it is challenging for models to effectively capture the physical information embedded in visual data, such as satellite imagery's temporal and geospatial context, which extends beyond images themselves. To address this gap, we propose physics-informed positional encoding (PIPE), a lightweight method that embeds physical information into vision language models (VLMs). PIPE introduces two key innovations: (1) a physics-informed positional indexing scheme for mapping physics to positional IDs, and (2) a variant-frequency positional encoding mechanism for encoding frequency information of physical variables and sequential order of tokens within the embedding space. By preserving both the physical information and sequential order information, PIPE significantly improves multimodal alignment and forecasting accuracy. Through the experiments on the most representative and the largest open-sourced satellite image dataset, PIPE achieves state-of-the-art performance in both deep learning forecasting and climate domain methods, demonstrating superiority across benchmarks, including a 12\% improvement in typhoon intensity forecasting over prior works.

Theory · Learning Theory

Yanna Ding, Songtao Lu, Yingdong Lu, Tomasz Nowicki, Jianxi Gao

Transformer architectures can solve unseen tasks based on input-output pairs in a given prompt due to in-context learning (ICL). Existing theoretical studies on ICL have mainly focused on linear regression tasks, often with i.i.d. inputs. To understand how transformers express in-context learning when modeling dynamics-driven functions, we investigate Markovian function learning through a structured ICL setup, where we characterize the loss landscape to reveal underlying optimization behaviors. Specifically, we (1) provide the closed-form expression of the global minimizer (in an enlarged parameter space) for a single-layer linear self-attention (LSA) model; (2) prove that recovering transformer parameters that realize the optimal solution is NP-hard in general, revealing a fundamental limitation of one-layer LSA in representing structured dynamical functions; and (3) supply a novel interpretation of a multilayer LSA as performing preconditioned gradient descent to optimize multiple objectives beyond the square loss. These theoretical results are numerically validated using simplified transformers.