ICLR 2025 论文列表

Recent advances in CV and NLP have been largely driven by scaling up the number of network parameters, despite traditional theories suggesting that larger networks are prone to overfitting. These large networks avoid overfitting by integrating components that induce a simplicity bias, guiding models toward simple and generalizable solutions. However, in deep RL, designing and scaling up networks have been less explored. Motivated by this opportunity, we present SimBa, an architecture designed to scale up parameters in deep RL by injecting a simplicity bias. SimBa consists of three components: (i) an observation normalization layer that standardizes inputs with running statistics, (ii) a residual feedforward block to provide a linear pathway from the input to output, and (iii) a layer normalization to control feature magnitudes. By scaling up parameters with SimBa, the sample efficiency of various deep RL algorithms—including off-policy, on-policy, and unsupervised methods—is consistently improved. Moreover, solely by integrating SimBa architecture into SAC, it matches or surpasses state-of-the-art deep RL methods with high computational efficiency across DMC, MyoSuite, and HumanoidBench. These results demonstrate SimBa's broad applicability and effectiveness across diverse RL algorithms and environments.

The massive and large-scale design of foundational semiconductor integrated circuits (ICs) is crucial to sustaining the advancement of many emerging and future technologies, such as generative AI, 5G/6G, and quantum computing. Excitingly, recent studies have shown the great capabilities of foundational models in expediting the design of digital ICs. Yet, applying generative AI techniques to accelerate the design of analog ICs remains a significant challenge due to critical domain-specific issues, such as the lack of a comprehensive dataset and effective representation methods for analog circuits. This paper proposes, $\textbf{AnalogGenie}$, a $\underline{\textbf{Gen}}$erat$\underline{\textbf{i}}$ve $\underline{\textbf{e}}$ngine for automatic design/discovery of $\underline{\textbf{Analog}}$ circuit topologies--the most challenging and creative task in the conventional manual design flow of analog ICs. AnalogGenie addresses two key gaps in the field: building a foundational comprehensive dataset of analog circuit topology and developing a scalable sequence-based graph representation universal to analog circuits. Experimental results show the remarkable generation performance of AnalogGenie in broadening the variety of analog ICs, increasing the number of devices within a single design, and discovering unseen circuit topologies far beyond any prior arts. Our work paves the way to transform the longstanding time-consuming manual design flow of analog ICs to an automatic and massive manner powered by generative AI. Our source code is available at https://github.com/xz-group/AnalogGenie.

This paper aims to address the challenge of hallucinations in Multimodal Large Language Models (MLLMs) particularly for dense image captioning tasks. To tackle the challenge, we identify the current lack of a metric that finely measures the caption quality in concept level. We hereby introduce HalFscore, a novel metric built upon the language graph and is designed to evaluate both the accuracy and completeness of dense captions at a granular level. Additionally, we identify the root cause of hallucination as the model's over-reliance on its language prior. To address this, we propose PerturboLLaVA, which reduces the model's reliance on the language prior by incorporating adversarially perturbed text during training. This method enhances the model's focus on visual inputs, effectively reducing hallucinations and producing accurate, image-grounded descriptions without incurring additional computational overhead. PerturboLLaVA significantly improves the fidelity of generated captions, outperforming existing approaches in handling multimodal hallucinations and achieving improved performance across general multimodal benchmarks.

Large Language Models (LLMs) have demonstrated improved generation performance by incorporating externally retrieved knowledge, a process known as retrieval-augmented generation (RAG). Despite the potential of this approach, existing studies evaluate RAG effectiveness by 1) assessing retrieval and generation components jointly, which obscures retrieval's distinct contribution, or 2) examining retrievers using traditional metrics such as NDCG, which creates a gap in understanding retrieval's true utility in the overall generation process. To address the above limitations, in this work, we introduce an automatic evaluation method that measures retrieval quality through the lens of information gain within the RAG framework. Specifically, we propose Semantic Perplexity (SePer), a metric that captures the LLM's internal belief about the correctness of the retrieved information. We quantify the utility of retrieval by the extent to which it reduces semantic perplexity post-retrieval. Extensive experiments demonstrate that SePer not only aligns closely with human preferences but also offers a more precise and efficient evaluation of retrieval utility across diverse RAG scenarios.

We present RASO, a foundation model designed to Recognize Any Surgical Object, offering robust open-set recognition capabilities across a broad range of surgical procedures and object classes, in both surgical images and videos. RASO leverages a novel weakly-supervised learning framework that generates tag-image-text pairs automatically from large-scale unannotated surgical lecture videos, significantly reducing the need for manual annotations. Our scalable data generation pipeline gathers 2,200 surgical procedures and produces 3.6 million tag annotations across 2,066 unique surgical tags. Our experiments show that RASO achieves improvements of 2.9 mAP, 4.5 mAP, 10.6 mAP, and 7.2 mAP on four standard surgical benchmarks respectively in zero-shot settings, and surpasses state-of-the-art models in supervised surgical action recognition tasks. We will open-source our code, model, and dataset to facilitate further research.

There is a gap between finding a first-order stationary point (FOSP) and a second-order stationary point (SOSP) under differential privacy constraints, and it remains unclear whether privately finding an SOSP is more challenging than finding an FOSP. Specifically, Ganesh et al. (2023) claimed that an $\alpha$-SOSP can be found with $\alpha=\Tilde{O}(\frac{1}{n^{1/3}}+(\frac{\sqrt{d}}{n\epsilon})^{3/7})$, where $n$ is the dataset size, $d$ is the dimension, and $\epsilon$ is the differential privacy parameter. However, a recent analysis revealed an issue in their saddle point escape procedure, leading to weaker guarantees. Building on the SpiderBoost algorithm framework, we propose a new approach that uses adaptive batch sizes and incorporates the binary tree mechanism. Our method not only corrects this issue but also improves the results for privately finding an SOSP, achieving $\alpha=\Tilde{O}(\frac{1}{n^{1/3}}+(\frac{\sqrt{d}}{n\epsilon})^{1/2})$. This improved bound matches the state-of-the-art for finding a FOSP, suggesting that privately finding an SOSP may be achievable at no additional cost.

Coordinating multiple agents to collaboratively maximize submodular functions in unpredictable environments is a critical task with numerous applications in machine learning, robot planning and control. The existing approaches, such as the OSG algorithm, are often hindered by their poor approximation guarantees and the rigid requirement for a fully connected communication graph. To address these challenges, we firstly present a $\textbf{MA-OSMA}$ algorithm, which employs the multi-linear extension to transfer the discrete submodular maximization problem into a continuous optimization, thereby allowing us to reduce the strict dependence on a complete graph through consensus techniques. Moreover, $\textbf{MA-OSMA}$ leverages a novel surrogate gradient to avoid sub-optimal stationary points. To eliminate the computationally intensive projection operations in $\textbf{MA-OSMA}$, we also introduce a projection-free $\textbf{MA-OSEA}$ algorithm, which effectively utilizes the KL divergence by mixing a uniform distribution. Theoretically, we confirm that both algorithms achieve a regret bound of $\widetilde{O}(\sqrt{\frac{C_{T}T}{1-\beta}})$ against a  $(\frac{1-e^{-c}}{c})$-approximation to the best comparator in hindsight, where $C_{T}$ is the deviation of maximizer sequence, $\beta$ is the spectral gap of the network and $c$ is the joint curvature of submodular objectives. This result significantly improves the $(\frac{1}{1+c})$-approximation provided by the state-of-the-art OSG algorithm. Finally, we demonstrate the effectiveness of our proposed algorithms through simulation-based multi-target tracking.

Modeling the dynamics of complex real-world systems from temporal snapshot data is crucial for understanding phenomena such as gene regulation, climate change, and financial market fluctuations. Researchers have recently proposed a few methods based either on the Schroedinger Bridge or Flow Matching to tackle this problem, but these approaches remain limited in their ability to effectively combine data from multiple time points and different experimental settings. This integration is essential in real-world scenarios where observations from certain combinations of time points and experimental conditions are missing, either because of experimental costs or sensory failure. To address this challenge, we propose a novel method named Multi-Marginal Flow Matching (MMFM). MMFM first constructs a flow using smooth spline-based interpolation across time points and conditions and regresses it with a neural network using the classifier-free guided Flow Matching framework. This framework allows for the sharing of contextual information about the dynamics across multiple trajectories. We demonstrate the effectiveness of our method on both synthetic and real-world datasets, including a recent single-cell genomics data set with around a hundred chemical perturbations across time points. Our results show that MMFM significantly outperforms existing methods at imputing data at missing time points.

Large language models have demonstrated an impressive ability to perform factual recall. Prior work has found that transformers trained on factual recall tasks can store information at a rate proportional to their parameter count. In our work, we show that shallow transformers can use a combination of associative memories to obtain such near optimal storage capacity. We begin by proving that the storage capacities of both linear and MLP associative memories scale linearly with parameter count. We next introduce a synthetic factual recall task, and prove that a transformer with a single layer of self-attention followed by an MLP can obtain 100\% accuracy on the task whenever either the total number of self-attention parameters or MLP parameters scales (up to log factors) linearly with the number of facts. In particular, the transformer can trade off between using the value matrices or the MLP as an associative memory to store the dataset of facts. We complement these expressivity results with an analysis of the gradient flow trajectory of a simplified linear attention model trained on our factual recall task, where we show that the model exhibits sequential learning behavior.

Perceiving and generating diverse modalities are crucial for AI models to effectively learn from and engage with real-world signals, necessitating reliable evaluations for their development. We identify two major issues in current evaluations: (1) inconsistent standards, shaped by different communities with varying protocols and maturity levels; and (2) significant query, grading, and generalization biases. To address these, we introduce MixEval-X, the first any-to-any, real-world benchmark designed to optimize and standardize evaluations across diverse input and output modalities. We propose multi-modal benchmark mixture and adaptation-rectification pipelines to reconstruct real-world task distributions, ensuring evaluations generalize effectively to real-world use cases. Extensive meta-evaluations show our approach effectively aligns benchmark samples with real-world task distributions. Meanwhile, MixEval-X's model rankings correlate strongly with that of crowd-sourced real-world evaluations (up to 0.98) while being much more efficient. We provide comprehensive leaderboards to rerank existing models and organizations and offer insights to enhance understanding of multi-modal evaluations and inform future research.

Language model alignment methods such as reinforcement learning from human feedback (RLHF) have led to impressive advances in language model capabilities, but are limited by a widely observed phenomenon known as *overoptimization*, where the quality of the language model degrades over the course of the alignment process. As the model optimizes performance on an offline reward model, it overfits to inaccuracies and drifts away from preferred responses covered by the data. To discourage such distribution shift, KL-regularization is widely employed in existing offline alignment methods, but overoptimization continues to harm performance. Lending theoretical insight into the source of these empirical observations, we first show that the KL-regularization is too weak to prevent overfitting, then ask: is it possible to design an efficient algorithm that is provably robust to overoptimization? In this paper, we advance theoretical understanding of sample-efficient offline alignment and introduce a new algorithm called $\chi^2$-Preference Optimization ($\chi$PO). $\chi$PO is a one-line change to Direct Preference Optimization (DPO; Rafailov et al. 2023), that modifies only the logarithmic link function in the DPO objective. Despite this minimal change, $\chi$PO implicitly implements the principle of *pessimism in the face of uncertainty* via regularization with the $\chi^2$-divergence---which quantifies uncertainty more effectively than KL-regularization---and provably alleviates overoptimization, achieving sample-complexity guarantees based on *single-policy concentrability*, the gold standard in offline reinforcement learning. This guarantee makes $\chi$PO the first simple, yet general-purpose offline alignment algorithm that is provably robust to overoptimization.

As a central component in formal verification, statement autoformalization has been widely studied including the recent efforts from machine learning community, but still remains a widely-recognized difficult and open problem. In this paper, we delve into two critical yet under-explored gaps: 1) absence of faithful and universal automated evaluation for autoformalization results; 2) agnosia of contextual information, inducing severe hallucination of formal definitions and theorems. To address the first issue, we propose **BEq** (_**B**idirectional **E**xtended Definitional E**q**uivalence_), an automated neuro-symbolic method to determine the equivalence between two formal statements, which is formal-grounded and well-aligned with human intuition. For the second, we propose **RAutoformalizer** (_**R**etrieval-augmented **Autoformalizer**_), augmenting statement autoformalization by _Dependency Retrieval_, retrieving potentially dependent objects from formal libraries. We parse the dependencies of libraries and propose to _structurally informalise_ formal objects by the topological order of dependencies. To evaluate OOD generalization and research-level capabilities, we build a novel benchmark, _Con-NF_, consisting of 961 informal-formal statement pairs from frontier mathematical researches. Experiments validate the effectiveness of our approaches: BEq is evaluated on 200 diverse formal statement pairs with expert-annotated equivalence label, exhibiting significantly improved accuracy ($82.50\\% \mapsto 90.50\\%$) and precision ($70.59\\% \mapsto 100.0\\%$). For dependency retrieval, a strong baseline is devised. Our RAutoformalizer substantially outperforms SOTA baselines in both in-distribution ProofNet benchmark ($12.83\\% \mapsto 18.18\\%$, BEq@8) and OOD Con-NF scenario ($4.58\\%\mapsto 16.86\\%$, BEq@8).

The Koopman theory, which enables the transformation of nonlinear systems into linear representations, is a powerful and efficient tool to model and control nonlinear systems. However, the ability of the Koopman operator to model complex systems, particularly time-varying systems, is limited by the fixed linear state-space representation. To address the limitation, the large language model, Mamba, is considered a promising strategy for enhancing modeling capabilities while preserving the linear state-space structure. In this paper, we propose a new framework, the Mamba-based Koopman operator (MamKO), which provides enhanced model prediction capability and adaptability, as compared to Koopman models with constant Koopman operators. Inspired by the Mamba structure, MamKO generates Koopman operators from online data; this enables the model to effectively capture the dynamic behaviors of the nonlinear system over time. A model predictive control system is then developed based on the proposed MamKO model. The modeling and control performance of the proposed method is evaluated through experiments on benchmark time-invariant and time-varying systems. The experimental results demonstrate the superiority of the proposed approach. Additionally, we perform ablation experiments to test the effectiveness of individual components of MamKO. This approach unlocks new possibilities for integrating large language models with control frameworks, and it achieves a good balance between advanced modeling capabilities and real-time control implementation efficiency.

Neural pruning aims to compress and accelerate deep neural networks by identifying the optimal subnetwork within a specified sparsity budget. In this work, we study how to gradually sparsify the unpruned dense model to the target sparsity level with minimal performance drop. Specifically, we analyze the evolution of the population of optimal subnetworks under continuous sparsity increments from a thermodynamic perspective. We first reformulate neural pruning as an expected loss minimization problem over the mask distributions. Then, we establish an effective approximation for the sparsity evolution of the optimal mask distribution, termed the **S**parsity Evolutionary **F**okker-**P**lanck-**K**olmogorov Equation (**SFPK**), which provides closed-form, mathematically tractable guidance on distributional transitions for minimizing the expected loss under an infinitesimal sparsity increment. On top of that, we propose SFPK-pruner, a particle simulation-based probabilistic pruning method, to sample performant masks with desired sparsity from the destination distribution of SFPK. In theory, we establish the convergence guarantee for the proposed SFPK-pruner. Our SFPK-pruner exhibits competitive performance in various pruning scenarios. The code is available on https://github.com/mzf666/SFPK-main.

Diffusion-based representation learning has achieved substantial attention due to its promising capabilities in latent representation and sample generation. Recent studies have employed an auxiliary encoder to identify a corresponding representation from data and to adjust the dimensionality of a latent variable $\mathbf{z}$. Meanwhile, this auxiliary structure invokes an *information split problem*; the information of each data instance $\mathbf{x}_0$ is divided into diffusion endpoint $\mathbf{x}_T$ and encoded $\mathbf{z}$ because there exist two inference paths starting from the data. The latent variable modeled by diffusion endpoint $\mathbf{x}_T$ has some disadvantages. The diffusion endpoint $\mathbf{x}_T$ is computationally expensive to obtain and inflexible in dimensionality. To address this problem, we introduce Diffusion Bridge AuteEncoders (DBAE), which enables $\mathbf{z}$-dependent endpoint $\mathbf{x}_T$ inference through a feed-forward architecture. This structure creates an information bottleneck at $\mathbf{z}$, so $\mathbf{x}_T$ becomes dependent on $\mathbf{z}$ in its generation. This results in $\mathbf{z}$ holding the full information of data. We propose an objective function for DBAE to enable both reconstruction and generative modeling, with their theoretical justification. Empirical evidence supports the effectiveness of the intended design in DBAE, which notably enhances downstream inference quality, reconstruction, and disentanglement. Additionally, DBAE generates high-fidelity samples in the unconditional generation. Our code is available at https://github.com/aailab-kaist/DBAE.

Bayesian Optimal Experimental Design (BOED) is a powerful tool to reduce the cost of running a sequence of experiments. When based on the Expected Information Gain (EIG), design optimization corresponds to the maximization of some intractable expected *contrast* between prior and posterior distributions. Scaling this maximization to high dimensional and complex settings has been an issue due to BOED inherent computational complexity. In this work, we introduce an *pooled posterior* distribution with cost-effective sampling properties and provide a tractable access to the EIG contrast maximization via a new EIG gradient expression. Diffusion-based samplers are used to compute the dynamics of the pooled posterior and ideas from bi-level optimization are leveraged to derive an efficient joint sampling-optimization loop, without resorting to lower bound approximations of the EIG. The resulting efficiency gain allows to extend BOED to the well-tested generative capabilities of diffusion models. By incorporating generative models into the BOED framework, we expand its scope and its use in scenarios that were previously impractical. Numerical experiments and comparison with state-of-the-art methods show the potential of the approach.

Recent advances in large language models (LLMs) demonstrate substantial capabilities in natural language understanding and generation tasks. With the growing number of LLMs, how to harness the collective expertise of multiple LLMs is an exciting open direction. Toward this goal, we propose a new approach that leverages the collective strengths of multiple LLMs through a Mixture-of-Agents (MoA) methodology. In our approach, we construct a layered MoA architecture wherein each layer comprises multiple LLM agents. Each agent takes all the outputs from agents in the previous layer as auxiliary information in generating its response. MoA models achieves state-of-art performance on AlpacaEval 2.0, Arena-Hard, MT-Bench, and FLASK, surpassing GPT-4 Omni. For example, our MoA using only open-source LLMs achieves a score of 65.1% on AlpacaEval 2.0 compared to 57.5% by GPT-4 Omni.

Humans often rely on subjective natural language to direct language models (LLMs); for example, users might instruct the LLM to write an *enthusiastic* blogpost, while developers might train models to be *helpful* and *harmless* using LLM-based edits. The LLM’s *operational semantics* of such subjective phrases---how it adjusts its behavior when each phrase is included in the prompt---thus dictates how aligned it is with human intent. In this work, we uncover instances of *misalignment* between LLMs' actual operational semantics and what humans expect. Our method, TED (thesaurus error detector), first constructs a thesaurus that captures whether two phrases have similar operational semantics according to the LLM. It then elicits failures by unearthing disagreements between this thesaurus and a human-constructed reference. TED routinely produces surprising instances of misalignment; for example, Mistral 7B Instruct produces more *harassing* outputs when it edits text to be *witty*, and Llama 3 8B Instruct produces *dishonest* articles when instructed to make the articles *enthusiastic*. Our results demonstrate that humans can uncover unexpected LLM behavior by scrutinizing relationships between abstract concepts, without supervising outputs directly.

The human brain utilizes spikes for information transmission and dynamically reorganizes its network structure to boost energy efficiency and cognitive capabilities throughout its lifespan. Drawing inspiration from this spike-based computation, Spiking Neural Networks (SNNs) have been developed to construct event-driven models that emulate this efficiency. Despite these advances, deep SNNs continue to suffer from over-parameterization during training and inference, a stark contrast to the brain’s ability to self-organize. Furthermore, existing sparse SNNs are challenged by maintaining optimal pruning levels due to a static pruning ratio, resulting in either under or over-pruning. In this paper, we propose a novel two-stage dynamic structure learning approach for deep SNNs, aimed at maintaining effective sparse training from scratch while optimizing compression efficiency. The first stage evaluates the compressibility of existing sparse subnetworks within SNNs using the PQ index, which facilitates an adaptive determination of the rewiring ratio for synaptic connections based on data compression insights. In the second stage, this rewiring ratio critically informs the dynamic synaptic connection rewiring process, including both pruning and regrowth. This approach significantly improves the exploration of sparse structures training in deep SNNs, adapting sparsity dynamically from the point view of compression efficiency. Our experiments demonstrate that this sparse training approach not only aligns with the performance of current deep SNNs models but also significantly improves the efficiency of compressing sparse SNNs. Crucially, it preserves the advantages of initiating training with sparse models and offers a promising solution for implementing Edge AI on neuromorphic hardware.