OpenRaiser/Intern-Atlas huggingface dataset:
SCENIR: Visual Semantic Clarity through Unsupervised Scene Graph Retrieval
Venue: Conference ICML 2025
Year: 2025

Despite the dominance of convolutional and transformer-based architectures in image-to-image retrieval, these models are prone to biases arising from low-level visual features, such as color. Recognizing the lack of semantic understanding as a key limitation, we propose a novel scene graph-based retrieval framework that emphasizes semantic content over superficial image characteristics. Prior approaches to scene graph retrieval predominantly rely on supervised Graph Neural Networks (GNNs), which require ground truth graph pairs driven from image captions. However, the inconsistency of caption-based supervision stemming from variable text encodings undermine retrieval reliability. To address these, we present SCENIR, a Graph Autoencoder-based unsupervised retrieval framework, which eliminates the dependence on labeled training data. Our model demonstrates superior performance across metrics and runtime efficiency, outperforming existing vision-based, multimodal, and supervised GNN approaches. We further advocate for Graph Edit Distance (GED) as a deterministic and robust ground truth measure for scene graph similarity, replacing the inconsistent caption-based alternatives for the first time in image-to-image retrieval evaluation. Finally, we validate the generalizability of our method by applying it to unannotated datasets via automated scene graph generation, while substantially contributing in advancing state-of-the-art in counterfactual image retrieval.
RULEBREAKERS: Challenging LLMs at the Crossroads between Formal Logic and Human-like Reasoning
Venue: Conference ICML 2025
Year: 2025

Formal logic enables computers to reason in natural language by representing sentences in symbolic forms and applying rules to derive conclusions. However, in what our study characterizes as "rulebreaker" scenarios, this method can lead to conclusions that are typically not inferred or accepted by humans given their common sense and factual knowledge. Inspired by works in cognitive science, we create RULEBREAKERS, the first dataset for rigorously evaluating the ability of large language models (LLMs) to recognize and respond to rulebreakers (versus non-rulebreakers) in a human-like manner. Evaluating seven LLMs, we find that most models, including GPT-4o, achieve mediocre accuracy on RULEBREAKERS and exhibit some tendency to over-rigidly apply logical rules unlike what is expected from typical human reasoners. Further analysis suggests that this apparent failure is potentially associated with the models' poor utilization of their world knowledge and their attention distribution patterns. Whilst revealing a limitation of current LLMs, our study also provides a timely counterbalance to a growing body of recent works that propose methods relying on formal logic to improve LLMs' general reasoning capabilities, highlighting their risk of further increasing divergence between LLMs and human-like reasoning.
Speak Easy: Eliciting Harmful Jailbreaks from LLMs with Simple Interactions
Venue: Conference ICML 2025
Year: 2025

Despite extensive safety alignment efforts, large language models (LLMs) remain vulnerable to jailbreak attacks that elicit harmful behavior. While existing studies predominantly focus on attack methods that require technical expertise, two critical questions remain underexplored: (1) Are jailbroken responses truly useful in enabling average users to carry out harmful actions? (2) Do safety vulnerabilities exist in more common, simple human-LLM interactions? In this paper, we demonstrate that LLM responses most effectively facilitate harmful actions when they are both actionable and informative--two attributes easily elicited in multi-step, multilingual interactions. Using this insight, we propose HarmScore, a jailbreak metric that measures how effectively an LLM response enables harmful actions, and Speak Easy, a simple multi-step, multilingual attack framework. Notably, by incorporating Speak Easy into direct request and jailbreak baselines, we see an average absolute increase of 0.319 in Attack Success Rate and 0.426 in HarmScore in both open-source and proprietary LLMs across four safety benchmarks. Our work reveals a critical yet often overlooked vulnerability: Malicious users can easily exploit common interaction patterns for harmful intentions.
A Checks-and-Balances Framework for Context-Aware Ethical AI Alignment
Venue: Conference ICML 2025
Year: 2025

This paper introduces a checks-and-balances framework for ethical alignment of Large Language Models (LLMs), inspired by three-branch governmental systems. It implements three independent yet interacting components: LLMs as the executive branch for knowledge generation, DIKE as the legislative branch establishing ethical guardrails, and ERIS as the judicial branch for contextual interpretation. Beyond structural separation, we address a fundamental challenge: regulating emotion to shape behaviors. Drawing from psychological theories where managing emotional responses prevents harmful behaviors, we develop a self-supervised learning pipeline that maps emotions to linguistic behaviors, enabling precise behavioral modulation through emotional conditioning. By integrating this approach with adversarial testing, our framework demonstrates how DIKE and ERIS direct linguistic behaviors toward ethical outcomes while preserving independence throughout knowledge generation, ethical oversight, and contextual interpretation.
LaMAGIC2: Advanced Circuit Formulations for Language Model-Based Analog Topology Generation
Venue: Conference ICML 2025
Year: 2025

Automation of analog topology design is crucial due to customized requirements of modern applications with heavily manual engineering efforts. The state-of-the-art work applies a sequence-to-sequence approach and supervised finetuning on language models to generate topologies given user specifications. However, its circuit formulation is inefficient due to O(|V |2) token length and suffers from low precision sensitivity to numeric inputs. In this work, we introduce LaMAGIC2, a succinct float-input canonical formulation with identifier (SFCI) for language model-based analog topology generation. SFCI addresses these challenges by improving component-type recognition through identifier-based representations, reducing token length complexity to O(|V |), and enhancing numeric precision sensitivity for better performance under tight tolerances. Our experiments demonstrate that LaMAGIC2 achieves 34% higher success rates under a tight tolerance of 0.01 and 10X lower MSEs compared to a prior method. LaMAGIC2 also exhibits better transferability for circuits with more vertices with up to 58.5% improvement. These advancements establish LaMAGIC2 as a robust framework for analog topology generation.
LV-XAttn: Distributed Cross-Attention for Long Visual Inputs in Multimodal Large Language Models
Venue: Conference ICML 2025
Year: 2025

Cross-attention is commonly adopted in multimodal large language models (MLLMs) for integrating visual information into the language backbone. However, in applications with large visual inputs, such as video understanding, processing a large number of visual tokens in cross-attention layers leads to high memory demands and often necessitates distributed computation across multiple GPUs. Existing distributed attention mechanisms face significant communication overheads, making cross-attention layers a critical bottleneck for efficient training and inference of MLLMs. To address this, we propose LV-XAttn, a distributed, exact cross-attention mechanism with minimal communication overhead. We observe that in applications involving large visual inputs, the size of the query block is typically much smaller than that of the key-value blocks. Thus, in LV-XAttn we keep the large key-value blocks locally on each GPU and exchange smaller query blocks across GPUs. We also introduce an efficient activation recomputation technique to support longer visual context. We theoretically analyze the communication benefits of LV-XAttn and show that it can achieve speedups for a wide range of models. Our evaluations with Llama 3-V, mPLUG-Owl3 and OpenFlamingo models find that LV-XAttn achieves up to 10.62$\times$ end-to-end speedup compared to existing approaches.
LDMol: A Text-to-Molecule Diffusion Model with Structurally Informative Latent Space Surpasses AR Models
Venue: Conference ICML 2025
Year: 2025

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult for a diffusion model to connect raw data with highly complex conditions like natural language. To address this, here we present a novel latent diffusion model dubbed LDMol for text-conditioned molecule generation. By recognizing that the suitable latent space design is the key to the diffusion model performance, we employ a contrastive learning strategy to extract novel feature space from text data that embeds the unique characteristics of the molecule structure. Experiments show that LDMol outperforms the existing autoregressive baselines on the text-to-molecule generation benchmark, being one of the first diffusion models that outperforms autoregressive models in textual data generation with a better choice of the latent domain. Furthermore, we show that LDMol can be applied to downstream tasks such as molecule-to-text retrieval and text-guided molecule editing, demonstrating its versatility as a diffusion model.
Federated Incomplete Multi-view Clustering with Globally Fused Graph Guidance
Venue: Conference ICML 2025
Year: 2025

Federated multi-view clustering has been proposed to mine the valuable information within multi-view data distributed across different devices and has achieved impressive results while preserving the privacy. Despite great progress, most federated multi-view clustering methods only used global pseudo-labels to guide the downstream clustering process and failed to exploit the global information when extracting features. In addition, missing data problem in federated multi-view clustering task is less explored. To address these problems, we propose a novel Federated Incomplete Multi-view Clustering method with globally Fused Graph guidance (FIMCFG). Specifically, we designed a dual-head graph convolutional encoder at each client to extract two kinds of underlying features containing global and view-specific information. Subsequently, under the guidance of the fused graph, the two underlying features are fused into high-level features, based on which clustering is conducted under the supervision of pseudo-labeling. Finally, the high-level features are uploaded to the server to refine the graph fusion and pseudo-labeling computation. Extensive experimental results demonstrate the effectiveness and superiority of FIMCFG. Our code is publicly available at https://github.com/PaddiHunter/FIMCFG.
Text-to-LoRA: Instant Transformer Adaption
Venue: Conference ICML 2025
Year: 2025

While Foundation Models provide a general tool for rapid content creation, they regularly require task-specific adaptation. Traditionally, this exercise involves careful curation of datasets and repeated fine-tuning of the underlying model. Fine-tuning techniques enable practitioners to adapt foundation models for many new applications but require expensive and lengthy training while being notably sensitive to hyperparameter choices. To overcome these limitations, we introduce Text-to-LoRA (T2L), a model capable of adapting large language models (LLMs) on the fly solely based on a natural language description of the target task. T2L is a hypernetwork trained to construct LoRAs in a single inexpensive forward pass. After training T2L on a suite of 9 pre-trained LoRA adapters (GSM8K, Arc, etc.), we show that the ad-hoc reconstructed LoRA instances match the performance of task-specific adapters across the corresponding test sets. Furthermore, T2L can compress hundreds of LoRA instances and zero-shot generalize to entirely unseen tasks. This approach provides a significant step towards democratizing the specialization of foundation models and enables language-based adaptation with minimal compute requirements. Our code is available at https://github.com/SakanaAI/text-to-lora
Machine Learning meets Algebraic Combinatorics: A Suite of Datasets Capturing Research-level Conjecturing Ability in Pure Mathematics
Venue: Conference ICML 2025
Year: 2025

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.
A Closer Look at Multimodal Representation Collapse
Venue: Conference ICML 2025
Year: 2025

We aim to develop a fundamental understanding of modality collapse, a recently observed empirical phenomenon wherein models trained for multimodal fusion tend to rely only on a subset of the modalities, ignoring the rest. We show that modality collapse happens when noisy features from one modality are entangled, via a shared set of neurons in the fusion head, with predictive features from another, effectively masking out positive contributions from the predictive features of the former modality and leading to its collapse. We further prove that cross-modal knowledge distillation implicitly disentangles such representations by freeing up rank bottlenecks in the student encoder, denoising the fusion-head outputs without negatively impacting the predictive features from either modality. Based on the above findings, we propose an algorithm that prevents modality collapse through explicit basis reallocation, with applications in dealing with missing modalities. Extensive experiments on multiple multimodal benchmarks validate our theoretical claims. Project page: https://abhrac.github.io/mmcollapse/.
Upcycling Text-to-Image Diffusion Models for Multi-Task Capabilities
Venue: Conference ICML 2025
Year: 2025

Text-to-image synthesis has witnessed remarkable advancements in recent years. Many attempts have been made to adopt text-to-image models to support multiple tasks. However, existing approaches typically require resource-intensive re-training or additional parameters to accommodate for the new tasks, which makes the model inefficient for on-device deployment. We propose Multi-Task Upcycling (MTU), a simple yet effective recipe that extends the capabilities of a pre-trained text-to-image diffusion model to support a variety of image-to-image generation tasks. MTU replaces Feed-Forward Network (FFN) layers in the diffusion model with smaller FFNs, referred to as experts, and combines them with a dynamic routing mechanism. To the best of our knowledge, MTU is the first multi-task diffusion modeling approach that seamlessly blends multi-tasking with on-device compatibility, by mitigating the issue of parameter inflation. We show that the performance of MTU is on par with the single-task fine-tuned diffusion models across several tasks including image editing, super-resolution, and inpainting, while maintaining similar latency and computational load (GFLOPs) as the single-task fine-tuned models.
VideoJAM: Joint Appearance-Motion Representations for Enhanced Motion Generation in Video Models
Venue: Conference ICML 2025
Year: 2025

Despite tremendous recent progress, generative video models still struggle to capture real-world motion, dynamics, and physics. We show that this limitation arises from the conventional pixel reconstruction objective, which biases models toward appearance fidelity at the expense of motion coherence. To address this, we introduce VideoJAM, a novel framework that instills an effective motion prior to video generators, by encouraging the model to learn a joint appearance-motion representation. VideoJAM is composed of two complementary units. During training, we extend the objective to predict both the generated pixels and their corresponding motion from a single learned representation. During inference, we introduce Inner-Guidance, a mechanism that steers the generation toward coherent motion by leveraging the model's own evolving motion prediction as a dynamic guidance signal. Notably, our framework can be applied to any video model with minimal adaptations, requiring no modifications to the training data or scaling of the model. VideoJAM achieves state-of-the-art performance in motion coherence, surpassing highly competitive proprietary models while also enhancing the perceived visual quality of the generations. These findings emphasize that appearance and motion can be complementary and, when effectively integrated, enhance both the visual quality and the coherence of video generation. Project website: https://hila-chefer.github.io/videojam-paper.github.io/
Bounded Rationality for LLMs: Satisficing Alignment at Inference-Time
Venue: Conference ICML 2025
Year: 2025

Aligning large language models with humans is challenging due to the inherently multifaceted nature of preference feedback. While existing approaches typically frame this as a multi-objective optimization problem, they often overlook how humans actually make decisions. Research on bounded rationality suggests that human decision making follows satisficing strategies-optimizing primary objectives while ensuring others meet acceptable thresholds. To bridge this gap and operationalize the notion of satisficing alignment, we propose SITAlign: an inference time framework that addresses the multifaceted nature of alignment by maximizing a primary objective while satisfying threshold-based constraints on secondary criteria. We provide theoretical insights by deriving sub-optimality bounds of our satisficing based inference alignment approach. We empirically validate SITAlign's performance through extensive experimentation on multiple benchmarks. For instance, on the PKU-SafeRLHF dataset with the primary objective of maximizing helpfulness while ensuring a threshold on harmlessness, SITAlign outperforms the state-of-the-art multi objective decoding strategy by a margin of 22.3% in terms of GPT-4 win-tie rate for helpfulness reward while adhering to the threshold on harmlessness.
LEVIS: Large Exact Verifiable Input Spaces for Neural Networks
Venue: Conference ICML 2025
Year: 2025

The robustness of neural networks is crucial in safety-critical applications, where identifying a reliable input space is essential for effective model selection, robustness evaluation, and the development of reliable control strategies. Most existing robustness verification methods assess the worst-case output under the assumption that the input space is known. However, precisely identifying a verifiable input space \(\mathcal{C}\), where no adversarial examples exist, is challenging due to the possible high dimensionality, discontinuity, and non-convex nature of the input space. To address this challenge, we propose a novel framework, **LEVIS**, consisting of **LEVIS-α** and **LEVIS-\b{eta}**. **LEVIS-α** identifies a single, large verifiable ball that intersects at least two boundaries of a bounded region \(\mathcal{C}\), while **LEVIS-\b{eta}** systematically captures the entirety of the verifiable space by integrating multiple verifiable balls. Our contributions include: (1) introducing a verification framework that uses mixed-integer programming (MIP) to compute nearest and directional adversarial points, (2) integrating complementarity-constrained (CC) optimization with a reduced MIP formulation for scalability, achieving up to a 6 times runtime reduction, (3) theoretically characterizing the properties of the verifiable balls obtained by **LEVIS-α**, and (4) validating the approach across applications including electrical power flow regression and image classification, with demonstrated performance gains and geometric insights into the verifiable region.
Non-Asymptotic Length Generalization
Venue: Conference ICML 2025
Year: 2025

Length generalization is the ability of a learning algorithm to learn a hypothesis which generalizes to longer inputs than the inputs in the training set. In this paper, we provide provable guarantees of length generalization for various classes of functions in an idealized setting. First, we formalize the framework of non-asymptotic length generalization, which requires a computable upper bound for the minimum input length that guarantees length generalization, as a function of the complexity of ground-truth function under some given complexity measure. We refer to this minimum input length to length generalize as length complexity. We show the Minimum-Complexity Interpolator learning algorithm achieves optimal length complexity. We further show that whether a function class admits non-asymptotic length generalization is equivalent to the decidability of its language equivalence problem, which implies that there is no computable upper bound for the length complexity of Context-Free Grammars. On the positive side, we show that the length complexity of Deterministic Finite Automata is $2n - 2$ where $n$ is the number of states of the ground-truth automaton. Our main results are upper bounds of length complexity for a subset of a transformer-related function class called C-RASP (Yang & Chiang, 2024). We show that the length complexity of 1-layer C-RASP functions is $O(T^2)$ when the ground-truth function has precision $T$, and that the length complexity of 2-layer C-RASP functions is $O(T^{O(K)})$ when the ground-truth function has precision $T$ and $K$ heads.
Expressive Power of Graph Neural Networks for (Mixed-Integer) Quadratic Programs
Venue: Conference ICML 2025
Year: 2025

Quadratic programming (QP) is the most widely applied category of problems in nonlinear programming. Many applications require real-time/fast solutions, though not necessarily with high precision. Existing methods either involve matrix decomposition or use the preconditioned conjugate gradient method. For relatively large instances, these methods cannot achieve the real-time requirement unless there is an effective preconditioner. Recently, graph neural networks (GNNs) opened new possibilities for QP. Some promising empirical studies of applying GNNs for QP tasks show that GNNs can capture key characteristics of an optimization instance and provide adaptive guidance accordingly to crucial configurations during the solving process, or directly provide an approximate solution. However, the theoretical understanding of GNNs in this context remains limited. Specifically, it is unclear what GNNs can and cannot achieve for QP tasks in theory. This work addresses this gap in the context of linearly constrained QP tasks. In the continuous setting, we prove that message-passing GNNs can universally represent fundamental properties of convex quadratic programs, including feasibility, optimal objective values, and optimal solutions. In the more challenging mixed-integer setting, while GNNs are not universal approximators, we identify a subclass of QP problems that GNNs can reliably represent.