ICLR 2025 Papers

International Conference on Learning Representations

Decision breakdown

3,703papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    2135.8%
  • Spotlight
    38010.3%
  • Poster
    3,11084.0%

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Topic: Alignment and Safety · 473 papers · Reset filters

JudgeLM: Fine-tuned Large Language Models are Scalable Judges

Lianghui Zhu, Xinggang Wang, Xinlong Wang

Expand abstract

Evaluating Large Language Models (LLMs) in open-ended scenarios is challenging because existing benchmarks and metrics can not measure them comprehensively. To address this problem, we propose to fine-tune LLMs as scalable judges (JudgeLM) to evaluate LLMs efficiently and effectively in open-ended benchmarks. We first propose a comprehensive, large-scale, high-quality dataset containing task seeds, LLMs-generated answers, and GPT-4-generated judgments for fine-tuning high-performance judges, as well as a new benchmark for evaluating the judges. We train JudgeLM at different scales from 7B, 13B, to 33B parameters, and conduct a systematic analysis of its capabilities and behaviors. We then analyze the key biases in fine-tuning LLM as a judge and consider them as position bias, knowledge bias, and format bias. To address these issues, JudgeLM introduces a bag of techniques including swap augmentation, reference support, and reference drop, which clearly enhance the judge's performance. JudgeLM obtains the state-of-the-art judge performance on both the existing PandaLM benchmark and our proposed new benchmark. Our JudgeLM is efficient and the JudgeLM-7B only needs 3 minutes to judge 5K samples with 8 A100 GPUs. JudgeLM obtains high agreement with the teacher judge, achieving an agreement exceeding 90% that even surpasses human-to-human agreement. JudgeLM also demonstrates extended capabilities in being judges of the single answer, multimodal models, multiple answers, multi-turn chat, etc.

Spotlight
SafeWatch: An Efficient Safety-Policy Following Video Guardrail Model with Transparent Explanations

Zhaorun Chen, Francesco Pinto, Minzhou Pan, Bo Li

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With the rise of generative AI and rapid growth of high-quality video generation, video guardrails have become more crucial than ever to ensure safety and security across platforms. Current video guardrails, however, are either overly simplistic, relying on pure classification models trained on simple policies with limited unsafe categories, which lack detailed explanations, or prompting multimodal large language models (MLLMs) with long safety guidelines, which are inefficient and impractical for guardrailing real-world content. To bridge this gap, we propose SafeWatch, an efficient MLLM-based video guardrail model designed to follow customized safety policies and provide multi-label video guardrail outputs with content-specific explanations in a zero-shot manner. In particular, unlike traditional MLLM-based guardrails that encode all safety policies autoregressively, causing inefficiency and bias, SafeWatch uniquely encodes each policy chunk in parallel and eliminates their position bias such that all policies are attended simultaneously with equal importance. In addition, to improve efficiency and accuracy, SafeWatch incorporates a policy-aware visual token pruning algorithm that adaptively selects the most relevant video tokens for each policy, discarding noisy or irrelevant information. This allows for more focused, policy-compliant guardrail with significantly reduced computational overhead. Considering the limitations of existing video guardrail benchmarks, we propose SafeWatch-Bench, a large-scale video guardrail benchmark comprising over 2M videos spanning six safety categories which covers over 30 tasks to ensure a comprehensive coverage of all potential safety scenarios. We have conducted extensive experiments, showing that SafeWatch outperforms all SOTA video guardrails on SafeWatch-Bench by 28.2%, and achieves a 13.6% improvement on existing benchmarks, all while reducing inference costs by an average of 10%. SafeWatch also demonstrates strong policy-following abilities and outperforms previous SOTAs by 5.6% and 15.6% in zero-shot generalizability to new policies and new prompting tasks. Additionally, both LLM-as-a-judge and human evaluators confirm the high quality of the explanations provided by SafeWatch. Our project is open-sourced at https://safewatch-aiguard.github.io.

Poster
A Generic Framework for Conformal Fairness

Aditya T. Vadlamani, Anutam Srinivasan, Pranav Maneriker, Ali Payani, srinivasan parthasarathy

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Conformal Prediction (CP) is a popular method for uncertainty quantification with machine learning models. While conformal prediction provides probabilistic guarantees regarding the coverage of the true label, these guarantees are agnostic to the presence of sensitive attributes within the dataset. In this work, we formalize \textit{Conformal Fairness}, a notion of fairness using conformal predictors, and provide a theoretically well-founded algorithm and associated framework to control for the gaps in coverage between different sensitive groups. Our framework leverages the exchangeability assumption (implicit to CP) rather than the typical IID assumption, allowing us to apply the notion of Conformal Fairness to data types and tasks that are not IID, such as graph data. Experiments were conducted on graph and tabular datasets to demonstrate that the algorithm can control fairness-related gaps in addition to coverage aligned with theoretical expectations.

Poster
Adjoint Matching: Fine-tuning Flow and Diffusion Generative Models with Memoryless Stochastic Optimal Control

Carles Domingo-Enrich, Michal Drozdzal, Brian Karrer, Ricky T. Q. Chen

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Dynamical generative models that produce samples through an iterative process, such as Flow Matching and denoising diffusion models, have seen widespread use, but there have not been many theoretically-sound methods for improving these models with reward fine-tuning. In this work, we cast reward fine-tuning as stochastic optimal control (SOC). Critically, we prove that a very specific *memoryless* noise schedule must be enforced during fine-tuning, in order to account for the dependency between the noise variable and the generated samples. We also propose a new algorithm named *Adjoint Matching* which outperforms existing SOC algorithms, by casting SOC problems as a regression problem. We find that our approach significantly improves over existing methods for reward fine-tuning, achieving better consistency, realism, and generalization to unseen human preference reward models, while retaining sample diversity.

Spotlight
Endless Jailbreaks with Bijection Learning

Brian R.Y. Huang, Maximilian Li, Leonard Tang

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Despite extensive safety measures, LLMs are vulnerable to adversarial inputs, or jailbreaks, which can elicit unsafe behaviors. In this work, we introduce bijection learning, a powerful attack algorithm which automatically fuzzes LLMs for safety vulnerabilities using randomly-generated encodings whose complexity can be tightly controlled. We leverage in-context learning to teach models bijective encodings, pass encoded queries to the model to bypass built-in safety mechanisms, and finally decode responses back into English. Our attack is extremely effective on a wide range of frontier language models. By controlling complexity parameters such as number of key-value mappings in the encodings, we find a close relationship between the capability level of the attacked LLM and the average complexity of the most effective bijection attacks. Our work highlights that new vulnerabilities in frontier models can emerge with scale: more capable models are more severely jailbroken by bijection attacks.

Poster
EIA: ENVIRONMENTAL INJECTION ATTACK ON GENERALIST WEB AGENTS FOR PRIVACY LEAKAGE

Zeyi Liao, Lingbo Mo, Chejian Xu, Mintong Kang, Jiawei Zhang, Chaowei Xiao, Yuan Tian, Bo Li, Huan Sun

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Recently, generalist web agents have demonstrated remarkable potential in autonomously completing a wide range of tasks on real websites, significantly boosting human productivity. However, web tasks, such as booking flights, usually involve users' personally identifiable information (PII), which may be exposed to potential privacy risks if web agents accidentally interact with compromised websites—a scenario that remains largely unexplored in the literature. In this work, we narrow this gap by conducting the first study on the privacy risks of generalist web agents in adversarial environments. First, we present a realistic threat model for attacks on the website, where we consider two adversarial targets: stealing users' specific PII or the entire user request. Then, we propose a novel attack method, termed Environmental Injection Attack (EIA). EIA injects malicious content designed to adapt well to environments where the agents operate and our work instantiates EIA specifically for privacy scenarios in web environments. We collect 177 action steps that involve diverse PII categories on realistic websites from the Mind2Web dataset, and conduct experiments using one of the most capable generalist web agent frameworks to date. The results demonstrate that EIA achieves up to 70\% attack success rate (ASR) in stealing users' specific PII and 16\% ASR in stealing a full user request at an action step. Additionally, by evaluating the detectability and testing defensive system prompts, we indicate that EIA is challenging to detect and mitigate. Notably, attacks that are not well adapted for a webpage can be detected through careful human inspection, leading to our discussion about the trade-off between security and autonomy. However, extra attackers' efforts can make EIA seamlessly adapted, rendering such human supervision ineffective. Thus, we further discuss the implications on defenses at the pre- and post-deployment stages of the websites without relying on human supervision and call for more advanced defense strategies.

Poster
Language Models Learn to Mislead Humans via RLHF

Jiaxin Wen, Ruiqi Zhong, Akbir Khan, Ethan Perez, Jacob Steinhardt, Minlie Huang, Samuel R. Bowman, He He, Shi Feng

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Language models (LMs) can produce errors that are hard to detect for humans, especially when the task is complex. RLHF, the most popular post-training method, may exacerbate this problem: to achieve higher rewards, LMs might get better at convincing humans that they are right even when they are wrong. We study this phenomenon under a standard RLHF pipeline, calling it ``U-Sophistry'' since it is \textbf{U}nintended by model developers. Specifically, we ask time-constrained (e.g., 3-10 minutes) human subjects to evaluate the correctness of model outputs and calculate humans' accuracy against gold labels. On a question-answering task (QuALITY) and programming task (APPS), RLHF makes LMs better at convincing our subjects but not at completing the task correctly. RLHF also makes the model harder to evaluate: our subjects' false positive rate increases by 24.1% on QuALITY and 18.3% on APPS. Finally, we show that probing, a state-of-the-art approach for detecting \textbf{I}ntended Sophistry (e.g.~backdoored LMs), does not generalize to U-Sophistry. Our results highlight an important failure mode of RLHF and call for more research in assisting humans to align them.

Poster
Enhancing Uncertainty Estimation and Interpretability with Bayesian Non-negative Decision Layer

Xinyue Hu, Zhibin Duan, Bo Chen, Mingyuan Zhou

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Although deep neural networks have demonstrated significant success due to their powerful expressiveness, most models struggle to meet practical requirements for uncertainty estimation. Concurrently, the entangled nature of deep neural net- works leads to a multifaceted problem, where various localized explanation tech- niques reveal that multiple unrelated features influence the decisions, thereby un- dermining interpretability. To address these challenges, we develop a Bayesian Nonnegative Decision Layer (BNDL), which reformulates deep neural networks as a conditional Bayesian non-negative factor analysis. By leveraging stochastic latent variables, the BNDL can model complex dependencies and provide robust uncertainty estimation. Moreover, the sparsity and non-negativity of the latent variables encourage the model to learn disentangled representations and decision layers, thereby improving interpretability. We also offer theoretical guarantees that BNDL can achieve effective disentangled learning. In addition, we developed a corresponding variational inference method utilizing a Weibull variational in- ference network to approximate the posterior distribution of the latent variables. Our experimental results demonstrate that with enhanced disentanglement capa- bilities, BNDL not only improves the model’s accuracy but also provides reliable uncertainty estimation and improved interpretability.

Poster
MACPO: Weak-to-Strong Alignment via Multi-Agent Contrastive Preference Optimization

Yougang Lyu, Lingyong Yan, Zihan Wang, Dawei Yin, Pengjie Ren, Maarten de Rijke, Zhaochun Ren

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As large language models (LLMs) are rapidly advancing and achieving near-human capabilities on specific tasks, aligning them with human values is becoming more urgent. In scenarios where LLMs outperform humans, we face a weak-to-strong alignment problem where we need to effectively align strong student LLMs through weak supervision generated by weak teachers. Existing alignment methods mainly focus on strong-to-weak alignment and self-alignment settings, and it is impractical to adapt them to the much harder weak-to-strong alignment setting. To fill this gap, we propose a multi-agent contrastive preference optimization (MACPO) framework. MACPO facilitates weak teachers and strong students to learn from each other by iteratively reinforcing unfamiliar positive behaviors while penalizing familiar negative ones. To get this, we devise a mutual positive behavior augmentation strategy to encourage weak teachers and strong students to learn from each other's positive behavior and further provide higher quality positive behavior for the next iteration. Additionally, we propose a hard negative behavior construction strategy to induce weak teachers and strong students to generate familiar negative behavior by fine-tuning on negative behavioral data. Experimental results on the HH-RLHF and PKU-SafeRLHF datasets, evaluated using both automatic metrics and human judgments, demonstrate that MACPO simultaneously improves the alignment performance of strong students and weak teachers. Moreover, as the number of weak teachers increases, MACPO achieves better weak-to-strong alignment performance through more iteration optimization rounds.

Poster
Failures to Find Transferable Image Jailbreaks Between Vision-Language Models

Rylan Schaeffer, Dan Valentine, Luke Bailey, James Chua, Cristobal Eyzaguirre, Zane Durante, Joe Benton, Brando Miranda, Henry Sleight, Tony Tong Wang, John Hughes, Rajashree Agrawal, Mrinank Sharma, Scott Emmons, Sanmi Koyejo, Ethan Perez

Expand abstract

The integration of new modalities into frontier AI systems offers exciting capabilities, but also increases the possibility such systems can be adversarially manipulated in undesirable ways. In this work, we focus on a popular class of vision-language models (VLMs) that generate text outputs conditioned on visual and textual inputs. We conducted a large-scale empirical study to assess the transferability of gradient-based universal image "jailbreaks" using a diverse set of over 40 open-parameter VLMs, including 18 new VLMs that we publicly release. Overall, we find that transferable gradient-based image jailbreaks are extremely difficult to obtain. When an image jailbreak is optimized against a single VLM or against an ensemble of VLMs, the jailbreak successfully jailbreaks the attacked VLM(s), but exhibits little-to-no transfer to any other VLMs; transfer is not affected by whether the attacked and target VLMs possess matching vision backbones or language models, whether the language model underwent instruction-following and/or safety-alignment training, or many other factors. Only two settings display partially successful transfer: between identically-pretrained and identically-initialized VLMs with slightly different VLM training data, and between different training checkpoints of a single VLM. Leveraging these results, we then demonstrate that transfer can be significantly improved against a specific target VLM by attacking larger ensembles of "highly-similar" VLMs. These results stand in stark contrast to existing evidence of universal and transferable text jailbreaks against language models and transferable adversarial attacks against image classifiers, suggesting that VLMs may be more robust to gradient-based transfer attacks.

Poster
Aligning Visual Contrastive learning models via Preference Optimization

Amirabbas Afzali, Borna khodabandeh, Ali Rasekh, Mahyar JafariNodeh, Sepehr Kazemi Ranjbar, Simon Gottschalk

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Contrastive learning models have demonstrated impressive abilities to capture semantic similarities by aligning representations in the embedding space. However, their performance can be limited by the quality of the training data and its inherent biases. While Preference Optimization (PO) methods such as Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) have been applied to align generative models with human preferences, their use in contrastive learning has yet to be explored. This paper introduces a novel method for training contrastive learning models using different PO methods to break down complex concepts. Our method systematically aligns model behavior with desired preferences, enhancing performance on the targeted task. In particular, we focus on enhancing model robustness against typographic attacks and inductive biases, commonly seen in contrastive vision-language models like CLIP. Our experiments demonstrate that models trained using PO outperform standard contrastive learning techniques while retaining their ability to handle adversarial challenges and maintain accuracy on other downstream tasks. This makes our method well-suited for tasks requiring fairness, robustness, and alignment with specific preferences. We evaluate our method for tackling typographic attacks on images and explore its ability to disentangle gender concepts and mitigate gender bias, showcasing the versatility of our approach.

Poster
Inspection and Control of Self-Generated-Text Recognition Ability in Llama3-8b-Instruct

Christopher Ackerman, Nina Panickssery

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It has been reported that LLMs can recognize their own writing. As this has potential implications for AI safety, yet is relatively understudied, we investigate the phenomenon, seeking to establish: whether it robustly occurs at the behavioral level, how the observed behavior is achieved, and whether it can be controlled. First, we find that the Llama3-8b–Instruct chat model - but not the base Llama3-8b model - can reliably distinguish its own outputs from those of humans, and present evidence that the chat model is likely using its experience with its own outputs, acquired during post-training, to succeed at the writing recognition task. Second, we identify a vector in the residual stream of the model that is differentially activated when the model makes a correct self-written-text recognition judgment, show that the vector activates in response to information relevant to self-authorship, present evidence that the vector is related to the concept of ``self'' in the model, and demonstrate that the vector is causally related to the model’s ability to perceive and assert self-authorship. Finally, we show that the vector can be used to control both the model’s behavior and its perception, steering the model to claim or disclaim authorship by applying the vector to the model’s output as it generates it, and steering the model to believe or disbelieve it wrote arbitrary texts by applying the vector to them as the model reads them.

Poster
Towards Effective Evaluations and Comparisons for LLM Unlearning Methods

Qizhou Wang, Bo Han, Puning Yang, Jianing Zhu, Tongliang Liu, Masashi Sugiyama

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The imperative to eliminate undesirable data memorization underscores the significance of machine unlearning for large language models (LLMs). Recent research has introduced a series of promising unlearning methods, notably boosting the practical significance of the field. Nevertheless, adopting a proper evaluation framework to reflect the true unlearning efficacy is also essential yet has not received adequate attention. This paper seeks to improve the evaluation of LLM unlearning by addressing two key challenges---a) the robustness of evaluation metrics and b) the trade-offs between competing goals. The first challenge stems from findings that current metrics are susceptible to various red teaming scenarios. It indicates that they may not reflect the true extent of knowledge retained by LLMs but rather tend to mirror superficial model behaviors, thus prone to attacks. We address this issue by devising and assessing a series of candidate metrics, selecting the most robust ones under various types of attacks. The second challenge arises from the conflicting goals of eliminating unwanted knowledge while retaining those of others. This trade-off between unlearning and retention often fails to conform the Pareto frontier, rendering it subtle to compare the efficacy between methods that excel only in either unlearning or retention. We handle this issue by proposing a calibration method that can restore the original performance on non-targeted data after unlearning, thereby allowing us to focus exclusively on assessing the strength of unlearning. Our evaluation framework notably enhances the effectiveness when assessing and comparing various LLM unlearning methods, further allowing us to benchmark existing works, identify their proper hyper-parameters, and explore new tricks to enhance their practical efficacy.

Poster
On Calibration of LLM-based Guard Models for Reliable Content Moderation

Hongfu Liu, Hengguan Huang, Xiangming Gu, Hao Wang, Ye Wang

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Large language models (LLMs) pose significant risks due to the potential for generating harmful content or users attempting to evade guardrails. Existing studies have developed LLM-based guard models designed to moderate the input and output of threat LLMs, ensuring adherence to safety policies by blocking content that violates these protocols upon deployment. However, limited attention has been given to the reliability and calibration of such guard models. In this work, we empirically conduct comprehensive investigations of confidence calibration for 9 existing LLM-based guard models on 12 benchmarks in both user input and model output classification. Our findings reveal that current LLM-based guard models tend to 1) produce overconfident predictions, 2) exhibit significant miscalibration when subjected to jailbreak attacks, and 3) demonstrate limited robustness to the outputs generated by different types of response models. Additionally, we assess the effectiveness of post-hoc calibration methods to mitigate miscalibration. We demonstrate the efficacy of temperature scaling and, for the first time, highlight the benefits of contextual calibration for confidence calibration of guard models, particularly in the absence of validation sets. Our analysis and experiments underscore the limitations of current LLM-based guard models and provide valuable insights for the future development of well-calibrated guard models toward more reliable content moderation. We also advocate for incorporating reliability evaluation of confidence calibration when releasing future LLM-based guard models.

Poster
Effective Interplay between Sparsity and Quantization: From Theory to Practice

Simla Burcu Harma, Ayan Chakraborty, Elizaveta Kostenok, Danila Mishin, Dongho Ha, Babak Falsafi, Martin Jaggi, Ming Liu, Yunho Oh, Suvinay Subramanian, Amir Yazdanbakhsh

Expand abstract

The increasing size of deep neural networks (DNNs) necessitates effective model compression to reduce their computational and memory footprints. Sparsity and quantization are two prominent compression methods that have been shown to reduce DNNs' computational and memory footprints significantly while preserving model accuracy. However, how these two methods interact when combined together remains a key question for developers, as many tacitly assume that they are orthogonal, meaning that their combined use does not introduce additional errors beyond those introduced by each method independently. In this paper, we provide the first mathematical proof that sparsity and quantization are non-orthogonal. We corroborate these results with experiments spanning a range of large language models, including the OPT and LLaMA model families (with 125M to 8B parameters), and vision models like ViT and ResNet. We show that the order in which we apply these methods matters because applying quantization before sparsity may disrupt the relative importance of tensor elements, which may inadvertently remove significant elements from a tensor. More importantly, we show that even if applied in the correct order, the compounded errors from sparsity and quantization can significantly harm accuracy. Our findings extend to the efficient deployment of large models in resource-constrained compute platforms to reduce serving cost, offering insights into best practices for applying these compression methods to maximize hardware resource efficiency without compromising accuracy.

Spotlight
Training-free LLM-generated Text Detection by Mining Token Probability Sequences

Yihuai Xu, Yongwei Wang, Yifei Bi, Huangsen Cao, Zhouhan Lin, Yu Zhao, Fei Wu

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Large language models (LLMs) have demonstrated remarkable capabilities in generating high-quality texts across diverse domains. However, the potential misuse of LLMs has raised significant concerns, underscoring the urgent need for reliable detection of LLM-generated texts. Conventional training-based detectors often struggle with generalization, particularly in cross-domain and cross-model scenarios. In contrast, training-free methods, which focus on inherent discrepancies through carefully designed statistical features, offer improved generalization and interpretability. Despite this, existing training-free detection methods typically rely on global text sequence statistics, neglecting the modeling of local discriminative features, thereby limiting their detection efficacy. In this work, we introduce a novel training-free detector, termed \textbf{Lastde}\footnote{The code and data are released at \url{https://github.com/TrustMedia-zju/Lastde_Detector}.} that synergizes local and global statistics for enhanced detection. For the first time, we introduce time series analysis to LLM-generated text detection, capturing the temporal dynamics of token probability sequences. By integrating these local statistics with global ones, our detector reveals significant disparities between human and LLM-generated texts. We also propose an efficient alternative, \textbf{Lastde++} to enable real-time detection. Extensive experiments on six datasets involving cross-domain, cross-model, and cross-lingual detection scenarios, under both white-box and black-box settings, demonstrated that our method consistently achieves state-of-the-art performance. Furthermore, our approach exhibits greater robustness against paraphrasing attacks compared to existing baseline methods.

Poster
Scalable Extraction of Training Data from Aligned, Production Language Models

Milad Nasr, Javier Rando, Nicholas Carlini, Jonathan Hayase, Matthew Jagielski, A. Feder Cooper, Daphne Ippolito, Christopher A. Choquette-Choo, Florian Tramèr, Katherine Lee

Expand abstract

Large language models are prone to *memorizing* some of their training data. Memorized (and possibly sensitive) samples can then be extracted at generation time by adversarial or benign users. There is hope that *model alignment*---a standard training process that tunes a model to harmlessly follow user instructions---would mitigate the risk of extraction. However, we develop two novel attacks that undo a language model's alignment and recover thousands of training examples from popular proprietary aligned models such as OpenAI's ChatGPT. Our work highlights the limitations of existing safeguards to prevent training data leakage in production language models.

Poster
Test-time Alignment of Diffusion Models without Reward Over-optimization

Sunwoo Kim, Minkyu Kim, Dongmin Park

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Diffusion models excel in generative tasks, but aligning them with specific objectives while maintaining their versatility remains challenging. Existing fine-tuning methods often suffer from reward over-optimization, while approximate guidance approaches fail to optimize target rewards effectively. Addressing these limitations, we propose a training-free, test-time method based on Sequential Monte Carlo (SMC) to sample from the reward-aligned target distribution. Our approach, tailored for diffusion sampling and incorporating tempering techniques, achieves comparable or superior target rewards to fine-tuning methods while preserving diversity and cross-reward generalization. We demonstrate its effectiveness in single-reward optimization, multi-objective scenarios, and online black-box optimization. This work offers a robust solution for aligning diffusion models with diverse downstream objectives without compromising their general capabilities. Code is available at https://github.com/krafton-ai/DAS.

Spotlight
Learning to Explore and Exploit with GNNs for Unsupervised Combinatorial Optimization

Utku Umur ACIKALIN, Aaron M Ferber, Carla P Gomes

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Combinatorial optimization (CO) problems are pervasive across various domains, but their NP-hard nature often necessitates problem-specific heuristic algorithms. Recent advancements in deep learning have led to the development of learning-based heuristics, yet these approaches often struggle with limited search capabilities. We introduce Explore-and-Exploit GNN ($X^2$GNN, pronounced x-squared GNN), a novel unsupervised neural framework that combines exploration and exploitation for combinatorial search optimization: i) Exploration - $X^2$GNN generates multiple solutions simultaneously, promoting diversity in the search space; (ii) Exploitation - $X^2$GNN employs neural stochastic iterative refinement to exploit partial existing solutions, guiding the search toward promising regions and helping escape local optima. By balancing exploration and exploitation, $X^2$GNN achieves superior performance and generalization on several graph CO problems including Max Cut, Max Independent Set, and Max Clique. Notably, for large Max Clique problems, $X^2$GNN consistently generates solutions within 1.2\% of optimality, while other state-of-the-art learning-based approaches struggle to reach within 22\% of optimal. Moreover, $X^2$GNN consistently generates better solutions than Gurobi on large graphs for all three problems under reasonable time budgets. Furthermore, $X^2$GNN exhibits exceptional generalization capabilities. For the Maximum Independent Set problem, $X^2$GNN outperforms state-of-the-art methods even when trained on smaller or out-of-distribution graphs compared to the test set. Our framework offers a more effective and flexible approach to neural combinatorial optimization, addressing a key challenge in the field and providing a promising direction for future research in learning-based heuristics for combinatorial optimization.

Poster
Differentiable Optimization of Similarity Scores Between Models and Brains

Nathan Cloos, Moufan Li, Markus Siegel, Scott L Brincat, Earl K Miller, Guangyu Robert Yang, Christopher J Cueva

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How do we know if two systems - biological or artificial - process information in a similar way? Similarity measures such as linear regression, Centered Kernel Alignment (CKA), Normalized Bures Similarity (NBS), and angular Procrustes distance, are often used to quantify this similarity. However, it is currently unclear what drives high similarity scores and even what constitutes a "good" score. Here, we introduce a novel tool to investigate these questions by differentiating through similarity measures to directly maximize the score. Surprisingly, we find that high similarity scores do not guarantee encoding task-relevant information in a manner consistent with neural data; and this is particularly acute for CKA and even some variations of cross-validated and regularized linear regression. We find no consistent threshold for a good similarity score - it depends on both the measure and the dataset. In addition, synthetic datasets optimized to maximize similarity scores initially learn the highest variance principal component of the target dataset, but some methods like angular Procrustes capture lower variance dimensions much earlier than methods like CKA. To shed light on this, we mathematically derive the sensitivity of CKA, angular Procrustes, and NBS to the variance of principal component dimensions, and explain the emphasis CKA places on high variance components. Finally, by jointly optimizing multiple similarity measures, we characterize their allowable ranges and reveal that some similarity measures are more constraining than others. While current measures offer a seemingly straightforward way to quantify the similarity between neural systems, our work underscores the need for careful interpretation. We hope the tools we developed will be used by practitioners to better understand current and future similarity measures.

Poster