ICLR 2025 论文列表

Large language models (LLMs) have revolutionized numerous applications, yet their deployment remains challenged by memory constraints on local devices. While scaling laws have enhanced LLM capabilities, the primary bottleneck has shifted from $\textit{capability}$ to $\textit{availability}$, emphasizing the need for efficient memory management. Traditional compression methods, such as quantization, often require predefined compression ratios and separate compression processes for each setting, complicating deployment in variable memory environments. In this paper, we introduce $\textbf{BitStack}$, a novel, training-free weight compression approach that enables megabyte-level trade-offs between memory usage and model performance. By leveraging weight decomposition, BitStack can dynamically adjust the model size with minimal transmission between running memory and storage devices. Our approach iteratively decomposes weight matrices while considering the significance of each parameter, resulting in an approximately 1-bit per parameter residual block in each decomposition iteration. These blocks are sorted and stacked in storage as basic transmission units, with different quantities loaded based on current memory availability. Extensive experiments across a wide range of tasks demonstrate that, despite offering fine-grained size control, BitStack consistently matches or surpasses strong quantization baselines, particularly at extreme compression ratios. To the best of our knowledge, this is the first decomposition-based method that effectively bridges the gap to practical compression techniques like quantization. Code is available at https://github.com/xinghaow99/BitStack.

Many works on graph neural networks (GNNs) focus on graph topologies and analyze graph-related operations to enhance performance on tasks such as node classification. In this paper, we propose to understand GNNs based on a feature-centric approach. Our main idea is to treat the features of nodes from each label class as a whole, from which we can identify the centroid. The convex hull of these centroids forms a simplex called the feature centroid simplex, where a simplex is a high-dimensional generalization of a triangle. We borrow ideas from coarse geometry to analyze the geometric properties of the feature centroid simplex by comparing them with basic geometric models, such as regular simplexes and degenerate simplexes. Such a simplex provides a simple platform to understand graph-based feature aggregation, including phenomena such as heterophily, oversmoothing, and feature re-shuffling. Based on the theory, we also identify simple and useful tricks for the node classification task.

We address the individualized treatment effect (ITE) estimation problem, focusing on continuous, multidimensional, and time-dependent treatments for precision medicine. The central challenge lies in modeling these complex treatment scenarios while capturing dynamic patient responses and minimizing reliance on control data. We propose the Gaussian Mixture Counterfactual Generator (GMCG), a generative model that transforms the Gaussian mixture model—traditionally a tool for clustering and density estimation—into a new tool explicitly geared toward causal inference. This approach generates robust counterfactuals by effectively handling continuous and multidimensional treatment spaces. We evaluate GMCG on synthetic crossover trial data and simulated datasets, demonstrating its superior performance over existing methods, particularly in scenarios with limited control data. GMCG derives its effectiveness from modeling the joint distribution of covariates, treatments, and outcomes using a latent state vector while employing a conditional distribution of the state vector to suppress confounding and isolate treatment-outcome relationships.

Terrestrial carbon fluxes provide vital information about our biosphere's health and its capacity to absorb anthropogenic CO$_2$ emissions. The importance of predicting carbon fluxes has led to the emerging field of data-driven carbon flux modelling (DDCFM), which uses statistical techniques to predict carbon fluxes from biophysical data. However, the field lacks a standardized dataset to promote comparisons between models. To address this gap, we present CarbonSense, the first machine learning-ready dataset for DDCFM. CarbonSense integrates measured carbon fluxes, meteorological predictors, and satellite imagery from 385 locations across the globe, offering comprehensive coverage and facilitating robust model training. Additionally, we provide a baseline model using a current state-of-the-art DDCFM approach and a novel transformer based model. Our experiments illustrate the potential gains that multimodal deep learning techniques can bring to this domain. By providing these resources, we aim to lower the barrier to entry for other deep learning researchers to develop new models and drive new advances in carbon flux modelling.

We introduce Enhancing Graph of Thoughts (EGoT), a method designed to enhance the performance of large language models (LLMs) on complex reasoning tasks. EGoT automates the process of generating accurate responses using given data and a base prompt. The process consists of several steps: It obtains an initial response from the answering node using the base prompt. Evaluation node evaluates the response and generates reasoning for it, utilizing the score's probabilities to enhance evaluation accuracy. The reasoning from both the answering node and the evaluation node is aggregated to identify the problem in the response. This aggregated reasoning is incorporated into the base prompt to obtain an enhanced response. These steps are organized in a graph architecture, where the final leaf nodes are merged to produce a final response. As the graph descends, the temperature is lowered using Cosine Annealing and scoring, to explore diverse responses with earlier nodes and to focus on precise responses with later nodes. The minimum temperature in Cosine Annealing is adjusted based on scoring, ensuring that nodes with low scores continue to explore diverse responses, while those with high scores confirm accurate responses. In sorting 256 elements using GPT-4o mini, EGoT performs 88.31\% accuracy, while GoT (Graph of Thoughts) achieves 84.37\% accuracy. In the frozen lake problem using GPT-4o, EGoT averages 0.55 jumps or falls into the hole, while ToT (Tree of Thoughts) averages 0.89.

Despite the significant success of deep learning models in computer vision, they often exhibit systematic failures on specific data subsets, known as error slices. Identifying and mitigating these error slices is crucial to enhancing model robustness and reliability in real-world scenarios. In this paper, we introduce HiBug2, an automated framework for error slice discovery and model repair. HiBug2 first generates task-specific visual attributes to highlight instances prone to errors through an interpretable and structured process. It then employs an efficient slice enumeration algorithm to systematically identify error slices, overcoming the combinatorial challenges that arise during slice exploration. Additionally, HiBug2 extends its capabilities by predicting error slices beyond the validation set, addressing a key limitation of prior approaches. Extensive experiments across multiple domains — including image classification, pose estimation, and object detection — show that HiBug2 not only improves the coherence and precision of identified error slices but also significantly enhances the model repair capabilities.

Recently, human-computer interaction with various modalities has shown promising applications, like GPT-4o and Gemini. Meanwhile, multimodal representation models have emerged as the foundation for these versatile multimodal understanding and generation pipeline. Models like CLIP, CLAP and ImageBind can map their specialized modalities into respective joint spaces. To construct a high-quality omni representation space that can be shared and expert in any modality, we propose to merge these advanced models into a unified space in scale. With this insight, we present \textbf{OmniBind}, advanced multimodal joint representation models via fusing knowledge of 14 pre-trained spaces, which support 3D, audio, image, video and language inputs. To alleviate the interference between different knowledge sources in integrated space, we dynamically assign weights to different spaces by learning routers with two objectives: cross-modal overall alignment and language representation decoupling. Notably, since binding and routing spaces only require lightweight networks, OmniBind is extremely training-efficient. Extensive experiments demonstrate the versatility and superiority of OmniBind as an omni representation model, highlighting its great potential for diverse applications, such as any-query and composable multimodal understanding.

Diagnosing the root cause of an anomaly in a complex interconnected system is a pressing problem in today’s cloud services and industrial operations. We propose In-Distribution Interventions (IDI), a novel algorithm that predicts root cause as nodes that meet two criteria: 1) Anomaly: root cause nodes should take on anomalous values; 2) Fix: had the root cause nodes assumed usual values, the target node would not have been anomalous. Prior methods of assessing the fix condition rely on counterfactuals inferred from a Structural Causal Model (SCM) trained on historical data. But since anomalies are rare and fall outside the training distribution, the fitted SCMs yield unreliable counterfactual estimates. IDI overcomes this by relying on interventional estimates obtained by solely probing the fitted SCM at in-distribution inputs. We present a theoretical analysis comparing and bounding the errors in assessing the fix condition using interventional and counterfactual estimates. We then conduct experiments by systematically varying the SCM’s complexity to demonstrate the cases where IDI’s interventional approach outperforms the counterfactual approach and vice versa. Experiments on both synthetic and PetShop RCD benchmark datasets demonstrate that IDI consistently identifies true root causes more accurately and robustly than nine existing state-of-the-art RCD baselines. Code will be released at https://github.com/nlokeshiisc/IDI_release.

Language model calibration refers to the alignment between the confidence of the model and the actual performance of its responses. While previous studies point out the overconfidence phenomenon in Large Language Models (LLMs) and show that LLMs trained with Reinforcement Learning from Human Feedback (RLHF) are overconfident with a more sharpened output probability, in this study, we reveal that RLHF tends to lead models to express verbalized overconfidence in their own responses. We investigate the underlying cause of this overconfidence and demonstrate that reward models used for Proximal Policy Optimization (PPO) exhibit inherent biases towards high-confidence scores regardless of the actual quality of responses. Building upon this insight, we propose two PPO variants: PPO-M: $\underline{PPO}$ with Calibrated Reward $\underline{M}$odeling and PPO-C: $\underline{PPO}$ with Calibrated Reward $\underline{C}$alculation. PPO-M integrates explicit confidence scores in reward model training, which calibrates reward models to better capture the alignment between response quality and verbalized confidence. PPO-C adjusts the reward score during PPO based on the difference between the current reward and the moving average of past rewards. Both PPO-M and PPO-C can be seamlessly integrated into the current PPO pipeline and do not require additional golden labels. We evaluate our methods on both $\texttt{Llama3-8B}$ and $\texttt{Mistral-7B}$ across six diverse datasets including multiple-choice and open-ended generation. Experiment results demonstrate that both of our methods can reduce calibration error and maintain performance comparable to standard PPO. We further show that they do not compromise model capabilities in open-ended conversation settings.

Zero-shot medical detection can further improve detection performance without relying on annotated medical images even upon the fine-tuned model, showing great clinical value. Recent studies leverage grounded vision-language models (GLIP) to achieve this by using detailed disease descriptions as prompts for the target disease name during the inference phase. However, these methods typically treat prompts as equivalent context to the target name, making it difficult to assign specific disease knowledge based on visual information, leading to a coarse alignment between images and target descriptions. In this paper, we propose StructuralGLIP, which introduces an auxiliary branch to encode prompts into a latent knowledge bank layer-by-layer, enabling more context-aware and fine-grained alignment. Specifically, in each layer, we select highly similar features from both the image representation and the knowledge bank, forming structural representations that capture nuanced relationships between image patches and target descriptions. These features are then fused across modalities to further enhance detection performance. Extensive experiments demonstrate that StructuralGLIP achieves a +4.1\% AP improvement over prior state-of-the-art methods across seven zero-shot medical detection benchmarks, and consistently improves fine-tuned models by +3.2\% AP on endoscopy image datasets.

The training and fine-tuning of large language models (LLMs) often involve diverse textual data from multiple sources, which poses challenges due to conflicting gradient directions, hindering optimization and specialization. These challenges can undermine model generalization across tasks, resulting in reduced downstream performance. Recent research suggests that fine-tuning LLMs on carefully selected, task-specific subsets of data can match or even surpass the performance of using the entire dataset. Building on these insights, we propose the Ensembles of Low-Rank Expert Adapters (ELREA) framework to improve the model's capability to handle diverse tasks. ELREA clusters the training instructions based on their gradient directions, representing different areas of expertise and thereby reducing conflicts during optimization. Expert adapters are then trained on these clusters, utilizing the low-rank adaptation (LoRA) technique to ensure training efficiency and model scalability. During inference, ELREA combines predictions from the most relevant expert adapters based on the input data's gradient similarity to the training clusters, ensuring optimal adapter selection for each task. Experiments show that our method outperforms baseline LoRA adapters trained on the full dataset and other ensemble approaches with similar training and inference complexity across a range of domain-specific tasks.

Information retrieval has transitioned from standalone systems into essential components across broader applications, with indexing efficiency, cost-effectiveness, and freshness becoming increasingly critical yet often overlooked. In this paper, we introduce SemI-parametric Disentangled Retrieval (SiDR), a bi-encoder retrieval framework that decouples retrieval index from neural parameters to enable efficient, low-cost, and parameter-agnostic indexing for emerging use cases. Specifically, in addition to using embeddings as indexes like existing neural retrieval methods, SiDR supports a non-parametric tokenization index for search, achieving BM25-like indexing complexity with significantly better effectiveness. Our comprehensive evaluation across 16 retrieval benchmarks demonstrates that SiDR outperforms both neural and term-based retrieval baselines under the same indexing workload: (i) When using an embedding-based index, SiDR exceeds the performance of conventional neural retrievers while maintaining similar training complexity; (ii) When using a tokenization-based index, SiDR drastically reduces indexing cost and time, matching the complexity of traditional term-based retrieval, while consistently outperforming BM25 on all in-domain datasets; (iii) Additionally, we introduce a late parametric mechanism that matches BM25 index preparation time while outperforming other neural retrieval baselines in effectiveness.

While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and logical reasoning. Traditional RNNs like LSTMs and GRUs, as well as modern variants like sLSTM do have these capabilities at the cost of strictly sequential processing. While this is often seen as a strong limitation, we show how fast these networks can get with our hardware-optimization FlashRNN in Triton and CUDA, optimizing kernels to the register level on modern GPUs. We extend traditional RNNs with a parallelization variant that processes multiple RNNs of smaller hidden state in parallel, similar to the head-wise processing in Transformers. To enable flexibility on different GPU variants, we introduce a new optimization framework for hardware-internal cache sizes, memory and compute handling. It models the hardware in a setting using polyhedral-like constraints, including the notion of divisibility. This speeds up the solution process in our ConstrINT library for general integer constraint satisfaction problems (integer CSPs). We show that our kernels can achieve 50x speed-ups over a vanilla PyTorch implementation and allow 40x larger hidden sizes compared to our Triton implementation. We have open-sourced our kernels and the optimization library to boost research in the direction of state-tracking enabled RNNs and sequence modeling here: https://github.com/NX-AI/flashrnn

Partial Wasserstein helps overcoming some of the limitations of Optimal Transport when the distributions at stake differ in mass, contain noise or outliers or exhibit mass mismatches across distribution modes. We introduce PAWL, a novel algorithm designed to efficiently compute exact PArtial Wasserstein distances on the Line. PAWL not only solves the partial transportation problem for a specified amount of mass to be transported, but _for all_ admissible mass amounts. This flexibility is valuable for machine learning tasks where the level of noise is uncertain and needs to be determined through cross-validation, for example. By achieving $O(n \log n)$ time complexity for the partial 1-Wasserstein problem on the line, it enables practical applications with large scale datasets. Additionally, we introduce a novel slicing strategy tailored to Partial Wasserstein, which does not permit transporting mass between outliers or noisy data points. We demonstrate the advantages of PAWL in terms of computational efficiency and performance in downstream tasks, outperforming existing (sliced) Partial Optimal Transport techniques.

To mitigate societal biases implicitly encoded in recent successful pretrained language models, a diverse array of approaches have been proposed to encourage model fairness, focusing on prompting, data augmentation, regularized fine-tuning, and more. Despite the development, it is nontrivial to reach a principled understanding of fairness and an effective algorithm that can consistently debias language models. In this work, by rigorous evaluations of Neural Collapse -- a learning phenomenon happen in last-layer representations and classifiers in deep networks -- on fairness-related words, we find that debiased language models exhibit collapsed alignment between token representations and word embeddings. More importantly, this observation inspires us to design a principled fine-tuning method that can effectively improve fairness in a wide range of debiasing methods, while still preserving the performance of language models on standard natural language understanding tasks. We attach our code at https://github.com/Xujxyang/Fairness-NC-main

In recent years, the Shapley value and SHAP explanations have emerged as one of the most dominant paradigms for providing post-hoc explanations of blackbox models. Despite their well-founded theoretical properties, many recent works have focused on the limitations in both their computational efficiency and their representation power. The underlying connection with additive models, however, is left critically under-emphasized in the current literature. In this work, we find that a variational perspective linking GAM models and SHAP explanations is able to provide deep insights into nearly all recent developments. In light of this connection, we borrow in the other direction to develop a new method to train interpretable GAM models which are automatically purified to compute the Shapley value in a single forward pass. Finally, we provide theoretical results showing the limited representation power of GAM models is the same Achilles’ heel existing in SHAP and discuss the implications for SHAP’s modern usage in CV and NLP.

Data scarcity in offline multi-agent reinforcement learning (MARL) is a key challenge for real-world applications. Recent advances in offline single-agent reinforcement learning (RL) demonstrate the potential of data synthesis to mitigate this issue. However, in multi-agent systems, interactions between agents introduce additional challenges. These interactions complicate the synthesis of multi-agent datasets, leading to data distortion when inter-agent interactions are neglected. Furthermore, the quality of the synthetic dataset is often constrained by the original dataset. To address these challenges, we propose **INteraction-aware Synthesis (INS)**, which synthesizes high-quality multi-agent datasets using diffusion models. Recognizing the sparsity of inter-agent interactions, INS employs a sparse attention mechanism to capture these interactions, ensuring that the synthetic dataset reflects the underlying agent dynamics. To overcome the limitation of diffusion models requiring continuous variables, INS implements a bit action module, enabling compatibility with both discrete and continuous action spaces. Additionally, we incorporate a select mechanism to prioritize transitions with higher estimated values, further enhancing the dataset quality. Experimental results across multiple datasets in MPE and SMAC environments demonstrate that INS consistently outperforms existing methods, resulting in improved downstream policy performance and superior dataset metrics. Notably, INS can synthesize high-quality data using only 10% of the original dataset, highlighting its efficiency in data-limited scenarios.

We address the problem of active online assortment optimization problem with preference feedback, which is a framework for modeling user choices and subsetwise utility maximization. The framework is useful in various real-world applications including ad placement, online retail, recommender systems, and fine-tuning language models, amongst many others. The problem, although has been studied in the past, lacks an intuitive and practical solution approach with simultaneously efficient algorithm and optimal regret guarantee. E.g., popularly used assortment selection algorithms often require the presence of a ``strong reference" which is always included in the choice sets, further they are also designed to offer the same assortments repeatedly until the reference item gets selected---all such requirements are quite unrealistic for practical applications. In this paper, we designed efficient algorithms for the problem of regret minimization in assortment selection with \emph{Plackett Luce} (PL) based user choices. We designed a novel concentration guarantee for estimating the score parameters of the PL model using `\emph{Pairwise Rank-Breaking}', which builds the foundation of our proposed algorithms. Moreover, our methods are practical, provably optimal, and devoid of the aforementioned limitations of the existing methods.

Large language models (LLMs) have sparked a new wave of AI applications; however, their substantial computational costs and memory demands pose significant challenges to democratizing access to LLMs for a broader audience. Singular Value Decomposition (SVD), a technique studied for decades, offers a hardware-independent and flexibly tunable solution for LLM compression. In this paper, we present new directions using SVD: we first theoretically analyze the optimality of truncating weights and truncating activations, then we further identify three key issues on SVD-based LLM compression, including (1) How can we determine the optimal truncation position for each weight matrix in LLMs? (2) How can we efficiently update the weight matrices based on truncation position? (3) How can we address the inherent "injection" nature that results in the information loss of the SVD? We propose an effective approach, **Dobi-SVD**, to tackle the three issues. First, we propose a **differentiable** truncation-value learning mechanism, along with gradient-robust backpropagation, enabling the model to adaptively find the optimal truncation positions. Next, we utilize the Eckart-Young-Mirsky theorem to derive a theoretically **optimal** weight update formula through rigorous mathematical analysis. Lastly, by observing and leveraging the quantization-friendly nature of matrices after SVD decomposition, we reconstruct a mapping between truncation positions and memory requirements, establishing a **bijection** from truncation positions to memory. Experimental results show that with a 40\% parameter-compression rate, our method achieves a perplexity of 9.07 on the Wikitext2 dataset with the compressed LLama-7B model, a 78.7\% improvement over the state-of-the-art SVD for LLM compression method. We emphasize that Dobi-SVD is the first to achieve such a high-ratio LLM compression with minimal performance drop. We also extend our Dobi-SVD to VLM compression, achieving a 20\% increase in throughput with minimal performance degradation. We hope that the inference speedup—up to 12.4x on 12GB NVIDIA Titan Xp GPUs and 3x on 80GB A100 GPUs for LLMs, and 1.2x on 80GB A100 GPUs for VLMs—will bring significant benefits to the broader community such as robotics.