ICLR 2025 Papers

Operations Research (OR) is vital for decision-making in many industries. While recent OR methods have seen significant improvements in automation and efficiency through integrating Large Language Models (LLMs), they still struggle to produce meaningful explanations. This lack of clarity raises concerns about transparency and trustworthiness in OR applications. To address these challenges, we propose a comprehensive framework, Explainable Operations Research (EOR), emphasizing actionable and understandable explanations accompanying optimization. The core of EOR is the concept of Decision Information, which emerges from what-if analysis and focuses on evaluating the impact of complex constraints (or parameters) changes on decision-making. Specifically, we utilize bipartite graphs to quantify the changes in the OR model and adopt LLMs to improve the explanation capabilities. Additionally, we introduce the first industrial benchmark to rigorously evaluate the effectiveness of explanations and analyses in OR, establishing a new standard for transparency and clarity in the field.

We introduce model folding, a novel data-free model compression technique that merges structurally similar neurons across layers, significantly reducing the model size without the need for fine-tuning or access to training data. Unlike existing methods, model folding preserves data statistics during compression by leveraging k-means clustering, and using novel data-free techniques to prevent variance collapse or explosion. Our theoretical framework and experiments across standard benchmarks, including ResNet18 and LLaMA-7B, demonstrate that model folding achieves comparable performance to data-driven compression techniques and outperforms recently proposed data-free methods, especially at high sparsity levels. This approach is particularly effective for compressing large-scale models, making it suitable for deployment in resource-constrained environments.

Federated learning (FL) with differential privacy (DP) provides a framework for collaborative machine learning, enabling clients to train a shared model while adhering to strict privacy constraints. The framework allows each client to have an individual privacy guarantee, e.g., by adding different amounts of noise to each client's model updates. One underlying assumption is that all clients spend their privacy budgets uniformly over time (learning rounds). However, it has been shown in the literature that learning in early rounds typically focuses on more coarse-grained features that can be learned at lower signal-to-noise ratios while later rounds learn fine-grained features that benefit from higher signal-to-noise ratios. Building on this intuition, we propose a time-adaptive DP-FL framework that expends the privacy budget non-uniformly across both time and clients. Our framework enables each client to save privacy budget in early rounds so as to be able to spend more in later rounds when additional accuracy is beneficial in learning more fine-grained features. We theoretically prove utility improvements in the case that clients with stricter privacy budgets spend budgets unevenly across rounds, compared to clients with more relaxed budgets, who have sufficient budgets to distribute their spend more evenly. Our practical experiments on standard benchmark datasets support our theoretical results and show that, in practice, our algorithms improve the privacy-utility trade-offs compared to baseline schemes.

Evaluating the contribution of individual data points to a model's prediction is critical for interpreting model predictions and improving model performance. Existing data contribution methods have been applied to various data types, including tabular data, images, and text; however, their primary focus has been on i.i.d. settings. Despite the pressing need for principled approaches tailored to time series datasets, the problem of estimating data contribution in such settings remains under-explored, possibly due to challenges associated with handling inherent temporal dependencies. This paper introduces TimeInf, a model-agnostic data contribution estimation method for time-series datasets. By leveraging influence scores, TimeInf attributes model predictions to individual time points while preserving temporal structures between the time points. Our empirical results show that TimeInf effectively detects time series anomalies and outperforms existing data attribution techniques as well as state-of-the-art anomaly detection methods. Moreover, TimeInf offers interpretable attributions of data values, allowing us to distinguish diverse anomalous patterns through visualizations. We also showcase a potential application of TimeInf in identifying mislabeled anomalies in the ground truth annotations.

The Mixture-of-Experts (MoE) has gained increasing attention in studying Large Vision-Language Models (LVLMs). It uses a sparse model to replace the dense model, achieving comparable performance while activating fewer parameters during inference, thus significantly reducing the inference cost. Existing MoE methods in LVLM encourage different experts to specialize in different tokens, and they usually employ a router to predict the routing of each token. However, the router is not optimized concerning distinct parameter optimization directions generated from tokens within an expert. This may lead to severe interference between tokens within an expert. To address this problem, we propose to use the token-level gradient analysis to Solving Token Gradient Conflict (STGC) in this paper. Specifically, we first use token-level gradients to identify conflicting tokens in experts. After that, we add a regularization loss tailored to encourage conflicting tokens routing from their current experts to other experts, for reducing interference between tokens within an expert. Our method can serve as a plug-in for diverse LVLM methods, and extensive experimental results demonstrate its effectiveness. demonstrate its effectiveness. The code will be publicly available at https://github.com/longrongyang/STGC.

The phenomenon of knowledge hallucinations has raised substantial concerns about the security and reliability of deployed large language models (LLMs). Current methods for detecting hallucinations primarily depend on manually designed individual metrics, such as prediction uncertainty and consistency, and fall short in effectively calibrating model predictions, thus constraining their detection accuracy and applicability in practical applications. In response, we propose an advanced framework, termed HaDeMiF, for detecting and mitigating hallucinations in LLMs. Specifically, hallucinations within the output and semantic spaces of LLMs are comprehensively captured through two compact networks—a novel, interpretable tree model known as the Deep Dynamic Decision Tree (D3T) and a Multilayer Perceptron (MLP)—which take as input a set of prediction characteristics and the hidden states of tokens, respectively. The predictions of LLMs are subsequently calibrated using the outputs from the D3T and MLP networks, aiming to mitigate hallucinations and enhance model calibration. HaDeMiF can be applied during both the inference and fine-tuning phases of LLMs, introducing less than 2% of the parameters relative to the LLMs through the training of two small-scale networks. Extensive experiments conclusively demonstrate the effectiveness of our framework in hallucination detection and model calibration across text generation tasks with responses of varying lengths.

Multimodal Retrieval Augmented Generation (mRAG) plays an important role in mitigating the “hallucination” issue inherent in multimodal large language models (MLLMs). Although promising, existing heuristic mRAGs typically predefined fixed retrieval processes, which causes two issues: (1) Non-adaptive Retrieval Queries. (2) Overloaded Retrieval Queries. However, these flaws cannot be adequately reflected by current knowledge-seeking visual question answering (VQA) datasets, since the most required knowledge can be readily obtained with a standard two-step retrieval. To bridge the dataset gap, we first construct Dyn-VQA dataset, consisting of three types of ``dynamic'' questions, which require complex knowledge retrieval strategies variable in query, tool, and time: (1) Questions with rapidly changing answers. (2) Questions requiring multi-modal knowledge. (3) Multi-hop questions. Experiments on Dyn-VQA reveal that existing heuristic mRAGs struggle to provide sufficient and precisely relevant knowledge for dynamic questions due to their rigid retrieval processes. Hence, we further propose the first self-adaptive planning agent for multimodal retrieval, **OmniSearch**. The underlying idea is to emulate the human behavior in question solution which dynamically decomposes complex multimodal questions into sub-question chains with retrieval action. Extensive experiments prove the effectiveness of our OmniSearch, also provide direction for advancing mRAG. Code and dataset will be open-sourced.

End-to-End Autonomous Driving (E2EAD) methods typically rely on supervised perception tasks to extract explicit scene information (e.g., objects, maps). This reliance necessitates expensive annotations and constrains deployment and data scalability in real-time applications. In this paper, we introduce SSR, a novel framework that utilizes only 16 navigation-guided tokens as Sparse Scene Representation, efficiently extracting crucial scene information for E2EAD. Our method eliminates the need for human-designed supervised sub-tasks, allowing computational resources to concentrate on essential elements directly related to navigation intent. We further introduce a temporal enhancement module, aligning predicted future scenes with actual future scenes through self-supervision. SSR achieves a 27.2\% relative reduction in L2 error and a 51.6\% decrease in collision rate to UniAD in nuScenes, with a 10.9× faster inference speed and 13× faster training time. Moreover, SSR outperforms VAD-Base with a 48.6-point improvement on driving score in CARLA's Town05 Long benchmark. This framework represents a significant leap in real-time autonomous driving systems and paves the way for future scalable deployment. Code is available at https://github.com/PeidongLi/SSR.

Large language models (LLMs) and large multimodal models (LMMs) have shown great potential in automating complex tasks like web browsing and gaming. However, their ability to generalize across diverse applications remains limited, hindering broader utility. To address this challenge, we present OSCAR: Operating System Control via state-Aware reasoning and Re-planning. OSCAR is a generalist agent designed to autonomously navigate and interact with various desktop and mobile applications through standardized controls, such as mouse and keyboard inputs, while processing screen images to fulfill user commands. OSCAR translates human instructions into executable Python code, enabling precise control over graphical user interfaces (GUIs). To enhance stability and adaptability, OSCAR operates as a state machine, equipped with error-handling mechanisms and dynamic task re-planning, allowing it to efficiently adjust to real-time feedback and exceptions. We demonstrate OSCAR’s effectiveness through extensive experiments on diverse benchmarks across desktop and mobile platforms, where it transforms complex workflows into simple natural language commands, significantly boosting user productivity. Our code will be open-source upon publication.

In this paper, we introduce GoodDrag, a novel approach to improve the stability and image quality of drag editing. Unlike existing methods that struggle with accumulated perturbations and often result in distortions, GoodDrag introduces an AlDD framework that alternates between drag and denoising operations within the diffusion process, effectively improving the fidelity of the result. We also propose an information-preserving motion supervision operation that maintains the original features of the starting point for precise manipulation and artifact reduction. In addition, we contribute to the benchmarking of drag editing by introducing a new dataset, Drag100, and developing dedicated quality assessment metrics, Dragging Accuracy Index and Gemini Score, utilizing Large Multimodal Models. Extensive experiments demonstrate that the proposed GoodDrag compares favorably against the state-of-the-art approaches both qualitatively and quantitatively. The source code and data are available at https://gooddrag.github.io.

We introduce Fengbo, a pipeline entirely in Clifford Algebra to solve 3D partial differential equations (PDEs) specifically for computational fluid dynamics (CFD). Fengbo is an architecture composed of only 3D convolutional and Fourier Neural Operator (FNO) layers, all working in 3D Clifford Algebra. It models the PDE solution problem as an interpretable mapping from the geometry to the physics of the problem. Despite having just few layers, Fengbo achieves competitive accuracy, superior to 5 out of 6 proposed models reported in \cite{li2024geometry} for the $\emph{ShapeNet Car}$ dataset, and it does so with only 42 million trainable parameters, at a reduced computational complexity compared to graph-based methods, and estimating jointly pressure \emph{and} velocity fields. In addition, the output of each layer in Fengbo can be clearly visualised as objects and physical quantities in 3D space, making it a whitebox model. By leveraging Clifford Algebra and establishing a direct mapping from the geometry to the physics of the PDEs, Fengbo provides an efficient, geometry- and physics-aware approach to solving complex PDEs.

Low-rank adaption (LoRA) is a widely used parameter-efficient finetuning method for LLM that reduces memory requirements. However, current LoRA optimizers lack transformation invariance, meaning the updates depending on how the two LoRA factors are scaled or rotated. This deficiency leads to inefficient learning and sub-optimal solutions in practice. This paper introduces LoRA-RITE, a novel adaptive matrix preconditioning method for LoRA optimization, which can achieve transformation invariance and remain computationally efficient. We provide theoretical analysis to demonstrate the benefit of our method and conduct experiments on various LLM tasks with different models including Gemma 2B, 7B, and mT5-XXL. The results demonstrate consistent improvements against existing optimizers. For example, replacing Adam with LoRA-RITE during LoRA fine-tuning of Gemma-2B yielded 4.6% accuracy gain on Super-Natural Instructions and 3.5% accuracy gain across other four LLM benchmarks (HellaSwag, ArcChallenge, GSM8K, OpenBookQA).

In science, we are often interested in obtaining a generative model of the underlying system dynamics from observed time series. While powerful methods for dynamical systems reconstruction (DSR) exist when data come from a single domain, how to best integrate data from multiple dynamical regimes and leverage it for generalization is still an open question. This becomes particularly important when individual time series are short, and group-level information may help to fill in for gaps in single-domain data. Here we introduce a hierarchical framework that enables to harvest group-level (multi-domain) information while retaining all single-domain characteristics, and showcase it on popular DSR benchmarks, as well as on neuroscience and medical data. In addition to faithful reconstruction of all individual dynamical regimes, our unsupervised methodology discovers common low-dimensional feature spaces in which datasets with similar dynamics cluster. The features spanning these spaces were further dynamically highly interpretable, surprisingly in often linear relation to control parameters that govern the dynamics of the underlying system. Finally, we illustrate transfer learning and generalization to new parameter regimes, paving the way toward DSR foundation models.

We explore neuro-symbolic approaches to generalize actionable knowledge, enabling embodied agents to tackle complex tasks more effectively in open-domain environments. A key challenge for embodied agents is the generalization of knowledge across diverse environments and situations, as limited experiences often confine them to their prior knowledge. To address this issue, we introduce a novel framework, NeSyC, a neuro-symbolic continual learner that emulates the hypothetico-deductive model by continually formulating and validating knowledge from limited experiences through the combined use of Large Language Models (LLMs) and symbolic tools. Specifically, we devise a contrastive generality improvement scheme within NeSyC, which iteratively generates hypotheses using LLMs and conducts contrastive validation via symbolic tools. This scheme reinforces the justification for admissible actions while minimizing the inference of inadmissible ones. Additionally, we incorporate a memory-based monitoring scheme that efficiently detects action errors and triggers the knowledge refinement process across domains. Experiments conducted on diverse embodied task benchmarks—including ALFWorld, VirtualHome, Minecraft, RLBench, and a real-world robotic scenario—demonstrate that NeSyC is highly effective in solving complex embodied tasks across a range of open-domain environments.

Machine learning models can capture and amplify biases present in data, leading to disparate test performance across social groups. To better understand, evaluate, and mitigate these biases, a deeper theoretical understanding of how model design choices and data distribution properties contribute to bias is needed. In this work, we contribute a precise analytical theory in the context of ridge regression, both with and without random projections, where the former models feedforward neural networks in a simplified regime. Our theory offers a unified and rigorous explanation of machine learning bias, providing insights into phenomena such as bias amplification and minority-group bias in various feature and parameter regimes. For example, we observe that there may be an optimal regularization penalty or training time to avoid bias amplification, and there can be differences in test error between groups that are not alleviated with increased parameterization. Importantly, our theoretical predictions align with empirical observations reported in the literature on machine learning bias. We extensively empirically validate our theory on synthetic and semi-synthetic datasets.

Recent researchers and companies have been developing large language models (LLMs) specifically designed for particular purposes and have achieved significant advancements in various natural language processing tasks. However, LLMs are still prone to generating hallucinations—results that are unfaithful or inconsistent with the given input. As a result, the need for datasets to evaluate and demonstrate the hallucination detection capabilities of LLMs is increasingly recognized. Nonetheless, the Korean NLP community lacks publicly available benchmark datasets demonstrating the faithfulness of knowledge-based information. Furthermore, the few existing datasets that evaluate hallucination are limited in their access to the entire dataset, restricting detailed analysis beyond simple scoring, and are based on translated English knowledge. To address these challenges, we introduce K-HALU, a Korean benchmark designed to evaluate LLMs' hallucination detection in Korean. This benchmark contains seven domains, considering the faithfulness of statements based on knowledge documents compiled from Korean news, magazines, and books. For more strict evaluation, 40% of the dataset is structured as multiple-answer questions, requiring models to select all possible correct answers from the given options. Our empirical results show that open-source LLMs still struggle with hallucination detection in Korean knowledge, emphasizing the need for a more detailed analysis of their limitations.

We present a novel frequency-based Self-Supervised Learning (SSL) approach that significantly enhances its efficacy for pre-training. Prior work in this direction masks out pre-defined frequencies in the input image and employs a reconstruction loss to pre-train the model. While achieving promising results, such an implementation has two fundamental limitations as identified in our paper. First, using pre-defined frequencies overlooks the variability of image frequency responses. Second, pre-trained with frequency-filtered images, the resulting model needs relatively more data to adapt to naturally looking images during fine-tuning. To address these drawbacks, we propose FOurier transform compression with seLf-Knowledge distillation (FOLK), integrating two dedicated ideas. First, inspired by image compression, we adaptively select the masked-out frequencies based on image frequency responses, creating more suitable SSL tasks for pre-training. Second, we employ a two-branch framework empowered by knowledge distillation, enabling the model to take both the filtered and original images as input, largely reducing the burden of downstream tasks. Our experimental results demonstrate the effectiveness of FOLK in achieving competitive performance to many state-of-the-art SSL methods across various downstream tasks, including image classification, few-shot learning, and semantic segmentation.

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if “P” is predicted as the top-1 token, “A”-“Z” will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

Recent self-rewarding large language models (LLM) have successfully applied LLM-as-a-Judge to iteratively improve the alignment performance without the need of human annotations for preference data. These methods commonly utilize the same LLM to act as both the policy model (which generates responses) and the reward model (which scores and ranks those responses). The ranked responses are then used as preference pairs to train the LLM via direct alignment technologies (e.g. DPO). However, it is noteworthy that throughout this process, there is no guarantee of accuracy in the rewarding and ranking, which is critical for ensuring accurate rewards and high-quality preference data. Empirical results from relatively small LLMs (e.g., 7B parameters) also indicate that improvements from self-rewarding may diminish after several iterations in certain situations, which we hypothesize is due to accumulated bias in the reward system. This bias can lead to unreliable preference data for training the LLM. To address this issue, we first formulate and analyze the generalized iterative preference fine-tuning framework for self-rewarding language model. We then introduce the regularization to this generalized framework to mitigate the overconfident preference labeling in the self-rewarding process. Based on this theoretical insight, we propose a Consistency Regularized sElf-rewarding lAnguage Model (CREAM) that leverages the consistency of rewards across different iterations to regularize the self-rewarding training, helping the model to learn from more reliable preference data. With this explicit regularization, our empirical results demonstrate the superiority of CREAM in improving both reward consistency and alignment performance. The code is publicly available at https://github.com/Raibows/CREAM.