OpenRaiser/Intern-Atlas huggingface dataset:
Hyperspherical Normalization for Scalable Deep Reinforcement Learning
Venue: Conference ICML 2025
Year: 2025

Scaling up the model size and computation has brought consistent performance improvements in supervised learning. However, this lesson often fails to apply to reinforcement learning (RL) because training the model on non-stationary data easily leads to overfitting and unstable optimization. In response, we introduce SimbaV2, a novel RL architecture designed to stabilize optimization by (i) constraining the growth of weight and feature norm by hyperspherical normalization; and (ii) using a distributional value estimation with reward scaling to maintain stable gradients under varying reward magnitudes. Using the soft actor-critic as a base algorithm, SimbaV2 scales up effectively with larger models and greater compute, achieving state-of-the-art performance on 57 continuous control tasks across 4 domains. The code is available at https://dojeon-ai.github.io/SimbaV2.
Multi-Marginal Stochastic Flow Matching for High-Dimensional Snapshot Data at Irregular Time Points
Venue: Conference ICML 2025
Year: 2025

Modeling the evolution of high-dimensional systems from limited snapshot observations at irregular time points poses a significant challenge in quantitative biology and related fields. Traditional approaches often rely on dimensionality reduction techniques, which can oversimplify the dynamics and fail to capture critical transient behaviors in non-equilibrium systems. We present Multi-Marginal Stochastic Flow Matching (MMSFM), a novel extension of simulation-free score and flow matching methods to the multi-marginal setting, enabling the alignment of high-dimensional data measured at non-equidistant time points without reducing dimensionality. The use of measure-valued splines enhances robustness to irregular snapshot timing, and score matching prevents overfitting in high-dimensional spaces. We validate our framework on several synthetic and benchmark datasets, including gene expression data collected at uneven time points and an image progression task, demonstrating the method's versatility.
Chip Placement with Diffusion Models
Venue: Conference ICML 2025
Year: 2025

Macro placement is a vital step in digital circuit design that defines the physical location of large collections of components, known as macros, on a 2D chip. Because key performance metrics of the chip are determined by the placement, optimizing it is crucial. Existing learning-based methods typically fall short because of their reliance on reinforcement learning (RL), which is slow and struggles to generalize, requiring online training on each new circuit. Instead, we train a diffusion model capable of placing new circuits zero-shot, using guided sampling in lieu of RL to optimize placement quality. To enable such models to train at scale, we designed a capable yet efficient architecture for the denoising model, and propose a novel algorithm to generate large synthetic datasets for pre-training. To allow zero-shot transfer to real circuits, we empirically study the design decisions of our dataset generation algorithm, and identify several key factors enabling generalization. When trained on our synthetic data, our models generate high-quality placements on unseen, realistic circuits, achieving competitive performance on placement benchmarks compared to state-of-the-art methods.
ReVISE: Learning to Refine at Test-Time via Intrinsic Self-Verification
Venue: Conference ICML 2025
Year: 2025

Self-awareness, i.e., the ability to assess and correct one's own generation, is a fundamental aspect of human intelligence, making its replication in large language models (LLMs) an important yet challenging task. Previous works tackle this by employing extensive reinforcement learning or rather relying on large external verifiers. In this work, we propose Refine via Intrinsic Self-Verification (ReVISE), an efficient and effective framework that enables LLMs to self-correct their outputs through self-verification. The core idea of ReVISE is to enable LLMs to verify their reasoning processes and continually rethink reasoning trajectories based on its verification. We introduce a structured curriculum based upon online preference learning to implement this efficiently. Specifically, as ReVISE involves two challenging tasks (i.e., self-verification and reasoning correction), we tackle each task sequentially using curriculum learning, collecting both failed and successful reasoning paths to construct preference pairs for efficient training. During inference, our approach enjoys natural test-time scaling by integrating self-verification and correction capabilities, further enhanced by our proposed confidence-aware decoding mechanism. Our experiments on various reasoning tasks demonstrate that ReVISE achieves efficient self-correction and significantly improves reasoning performance.
Channel Normalization for Time Series Channel Identification
Venue: Conference ICML 2025
Year: 2025

Channel identifiability (CID) refers to the ability to distinguish between individual channels in time series (TS) modeling. The absence of CID often results in producing identical outputs for identical inputs, disregarding channel-specific characteristics. In this paper, we highlight the importance of CID and propose Channel Normalization (CN), a simple yet effective normalization strategy that enhances CID by assigning distinct affine transformation parameters to each channel. We further extend CN in two ways: 1) Adaptive CN (ACN) dynamically adjusts parameters based on the input TS, improving adaptability in TS models, and 2) Prototypical CN (PCN) introduces a set of learnable prototypes instead of per-channel parameters, enabling applicability to datasets with unknown or varying number of channels and facilitating use in TS foundation models. We demonstrate the effectiveness of CN and its variants by applying them to various TS models, achieving significant performance gains for both non-CID and CID models. In addition, we analyze the success of our approach from an information theory perspective. Code is available at https://github.com/seunghan96/CN.
Multidimensional Adaptive Coefficient for Inference Trajectory Optimization in Flow and Diffusion
Venue: Conference ICML 2025
Year: 2025

Flow and diffusion models have demonstrated strong performance and training stability across various tasks but lack two critical properties of simulation-based methods: freedom of dimensionality and adaptability to different inference trajectories. To address this limitation, we propose the Multidimensional Adaptive Coefficient (MAC), a plug-in module for flow and diffusion models that extends conventional unidimensional coefficients to multidimensional ones and enables inference trajectory-wise adaptation. MAC is trained via simulation-based feedback through adversarial refinement. Empirical results across diverse frameworks and datasets demonstrate that MAC enhances generative quality with high training efficiency. Consequently, our work offers a new perspective on inference trajectory optimality, encouraging future research to move beyond vector field design and to leverage training-efficient, simulation-based optimization.
Lightweight Online Adaption for Time Series Foundation Model Forecasts
Venue: Conference ICML 2025
Year: 2025

Foundation models (FMs) have emerged as a promising approach for time series forecasting. While effective, FMs typically remain fixed during deployment due to the high computational costs of learning them online. Consequently, deployed FMs fail to adapt their forecasts to current data characteristics, despite the availability of online feedback from newly arriving data. This raises the question of whether FM performance can be enhanced by the efficient usage of this feedback. We propose ELF to answer this question. ELF is a lightweight mechanism for the online adaption of FM forecasts in response to online feedback. ELF consists of two parts: a) the ELF-Forecaster which is used to learn the current data distribution; and b) the ELF-Weighter which is used to combine the forecasts of the FM and the ELF-Forecaster. We evaluate the performance of ELF in conjunction with several recent FMs across a suite of standard time series datasets. In all of our experiments we find that using ELF improves performance. This work demonstrates how efficient usage of online feedback can be used to improve FM forecasts.
Efficient Distributed Optimization under Heavy-Tailed Noise
Venue: Conference ICML 2025
Year: 2025

Distributed optimization has become the default training paradigm in modern machine learning due to the growing scale of models and datasets. To mitigate communication overhead, local updates are often applied before global aggregation, resulting in a nested optimization approach with inner and outer steps. However, heavy-tailed stochastic gradient noise remains a significant challenge, particularly in attention-based models, hindering effective training. In this work, we propose TailOPT, an efficient framework designed to address heavy-tailed noise by leveraging adaptive optimization or clipping techniques. We establish convergence guarantees for the TailOPT framework under heavy-tailed noise with potentially unbounded gradient variance and local updates. Among its variants, we highlight a memory and communication efficient instantiation which we call $Bi^2Clip$, which performs coordinate-wise clipping at both the inner and outer optimizers, achieving adaptive-like performance (e.g., Adam) without the cost of maintaining or transmitting additional gradient statistics. Empirically, TailOPT, including $Bi^2Clip$, demonstrates superior performance on several language tasks and models, outperforming state-of-the-art methods.
DRAG: Data Reconstruction Attack using Guided Diffusion
Venue: Conference ICML 2025
Year: 2025

With the rise of large foundation models, split inference (SI) has emerged as a popular computational paradigm for deploying models across lightweight edge devices and cloud servers, addressing data privacy and computational cost concerns. However, most existing data reconstruction attacks have focused on smaller CNN classification models, leaving the privacy risks of foundation models in SI settings largely unexplored. To address this gap, we propose a novel data reconstruction attack based on guided diffusion, which leverages the rich prior knowledge embedded in a latent diffusion model (LDM) pre-trained on a large-scale dataset. Our method performs iterative reconstruction on the LDM's learned image prior, effectively generating high-fidelity images resembling the original data from their intermediate representations (IR). Extensive experiments demonstrate that our approach significantly outperforms state-of-the-art methods, both qualitatively and quantitatively, in reconstructing data from deep-layer IRs of the vision foundation model. The results highlight the urgent need for more robust privacy protection mechanisms for large models in SI scenarios. Code is available at: https://github.com/ntuaislab/DRAG.
M3-JEPA: Multimodal Alignment via Multi-gate MoE based on the Joint-Embedding Predictive Architecture
Venue: Conference ICML 2025
Year: 2025

Current multimodal learning strategies primarily optimize in the original token space. Such a framework is easy to incorporate with the backbone of pretrained language model, but might result in modality collapse. To alleviate such issues, we leverage the Joint-Embedding Predictive Architecture (JEPA) on the multimodal tasks, which converts the input embedding into the output embedding space by a predictor and then conducts the cross-modal alignment on the latent space. We implement this predictor by a Multi-Gate Mixture of Experts (MMoE) and name the framework as M3-JEPA, accordingly. The gating function disentangles the modality-specific and shared information and derives information-theoretic optimality. The framework is implemented with both contrastive and regularization loss, and solved by alternative gradient descent (AGD) between different multimodal tasks. By thoroughly designed experiments, we show that M3-JEPA can obtain state-of-the-art performance on different modalities and tasks, generalize to unseen datasets and domains, and is computationally efficient in both training and inference. Our observation suggests that M3-JEPA might become a new basis to self-supervised learning in the open world.
iN2V: Bringing Transductive Node Embeddings to Inductive Graphs
Venue: Conference ICML 2025
Year: 2025

Shallow node embeddings like node2vec (N2V) can be used for nodes without features or to supplement existing features with structure-based information. Embedding methods like N2V are limited in their application on new nodes, which restricts them to the transductive setting where the entire graph, including the test nodes, is available during training. We propose inductive node2vec (iN2V), which combines a post-hoc procedure to compute embeddings for nodes unseen during training and modifications to the original N2V training procedure to prepare the embeddings for this post-hoc procedure. We conduct experiments on several benchmark datasets and demonstrate that iN2V is an effective approach to bringing transductive embeddings to an inductive setting. Using iN2V embeddings improves node classification by 1 point on average, with up to 6 points of improvement depending on the dataset and the number of unseen nodes. Our iN2V is a plug-in approach to create new or enrich existing embeddings. It can also be combined with other embedding methods, making it a versatile approach for inductive node representation learning. Code to reproduce the results is available at https://github.com/Foisunt/iN2V .
Attributes Shape the Embedding Space of Face Recognition Models
Venue: Conference ICML 2025
Year: 2025

Face Recognition (FR) tasks have made significant progress with the advent of Deep Neural Networks, particularly through margin-based triplet losses that embed facial images into high-dimensional feature spaces. During training, these contrastive losses focus exclusively on identity information as labels. However, we observe a multiscale geometric structure emerging in the embedding space, influenced by interpretable facial (e.g., hair color) and image attributes (e.g., contrast). We propose a geometric approach to describe the dependence or invariance of FR models to these attributes and introduce a physics-inspired alignment metric. We evaluate the proposed metric on controlled, simplified models and widely used FR models fine-tuned with synthetic data for targeted attribute augmentation. Our findings reveal that the models exhibit varying degrees of invariance across different attributes, providing insight into their strengths and weaknesses and enabling deeper interpretability. Code available here: https://github.com/mantonios107/attrs-fr-embs}{https://github.com/mantonios107/attrs-fr-embs
The Double-Ellipsoid Geometry of CLIP
Venue: Conference ICML 2025
Year: 2025

Contrastive Language-Image Pre-Training (CLIP) is highly instrumental in machine learning applications within a large variety of domains. We investigate the geometry of this embedding, which is still not well understood. We examine the raw unnormalized embedding and show that text and image reside on linearly separable ellipsoid shells, not centered at the origin. We explain the benefits of having this structure, allowing to better embed instances according to their uncertainty during contrastive training. Frequent concepts in the dataset yield more false negatives, inducing greater uncertainty. A new notion of conformity is introduced, which measures the average cosine similarity of an instance to any other instance within a representative data set. We show this measure can be accurately estimated by simply computing the cosine similarity to the modality mean vector. Furthermore, we find that CLIP's modality gap optimizes the matching of the conformity distributions of image and text.
STAR: Learning Diverse Robot Skill Abstractions through Rotation-Augmented Vector Quantization
Venue: Conference ICML 2025
Year: 2025

Transforming complex actions into discrete skill abstractions has demonstrated strong potential for robotic manipulation. Existing approaches mainly leverage latent variable models, e.g., VQ-VAE, to learn skill abstractions through learned vectors (codebooks), while they suffer from codebook collapse and modeling the causal relationship between learned skills. To address these limitations, we present \textbf{S}kill \textbf{T}raining with \textbf{A}ugmented \textbf{R}otation (\textbf{STAR}), a framework that advances both skill learning and composition to complete complex behaviors. Specifically, to prevent codebook collapse, we devise rotation-augmented residual skill quantization (RaRSQ). It encodes relative angles between encoder outputs into the gradient flow by rotation-based gradient mechanism. Points within the same skill code are forced to be either pushed apart or pulled closer together depending on gradient directions. Further, to capture the causal relationship between skills, we present causal skill transformer (CST) which explicitly models dependencies between skill representations through an autoregressive mechanism for coherent action generation. Extensive experiments demonstrate the superiority of STAR on both LIBERO benchmark and realworld tasks, with around 12\% improvement over the baselines.
LARM: Large Auto-Regressive Model for Long-Horizon Embodied Intelligence
Venue: Conference ICML 2025
Year: 2025

Recent embodied agents are primarily built based on reinforcement learning (RL) or large language models (LLMs). Among them, RL agents are efficient for deployment but only perform very few tasks. By contrast, giant LLM agents (often more than 1000B parameters) present strong generalization while demanding enormous computing resources. In this work, we combine their advantages while avoiding the drawbacks by conducting the proposed referee RL on our developed large auto-regressive model (LARM). Specifically, LARM is built upon a lightweight LLM (fewer than 5B parameters) and directly outputs the next action to execute rather than text. We mathematically reveal that classic RL feedbacks vanish in long-horizon embodied exploration and introduce a giant LLM based referee to handle this reward vanishment during training LARM. In this way, LARM learns to complete diverse open-world tasks without human intervention. Especially, LARM successfully harvests enchanted diamond equipment in Minecraft, which demands significantly longer decision-making chains than the highest achievements of prior best methods.
Focal-SAM: Focal Sharpness-Aware Minimization for Long-Tailed Classification
Venue: Conference ICML 2025
Year: 2025

Real-world datasets often follow a long-tailed distribution, making generalization to tail classes difficult. Recent methods resorted to long-tail variants of Sharpness-Aware Minimization (SAM), such as ImbSAM and CC-SAM, to improve generalization by flattening the loss landscape. However, these attempts face a trade-off between computational efficiency and control over the loss landscape. On the one hand, ImbSAM is efficient but offers only coarse control as it excludes head classes from the SAM process. On the other hand, CC-SAM provides fine-grained control through class-dependent perturbations but at the cost of efficiency due to multiple backpropagations. Seeing this dilemma, we introduce Focal-SAM, which assigns different penalties to class-wise sharpness, achieving fine-grained control without extra backpropagations, thus maintaining efficiency. Furthermore, we theoretically analyze Focal-SAM's generalization ability and derive a sharper generalization bound. Extensive experiments on both traditional and foundation models validate the effectiveness of Focal-SAM.
Alpha-SQL: Zero-Shot Text-to-SQL using Monte Carlo Tree Search
Venue: Conference ICML 2025
Year: 2025

Text-to-SQL, which enables natural language interaction with databases, serves as a pivotal method across diverse industries. With new, more powerful large language models (LLMs) emerging every few months, fine-tuning has become incredibly costly, labor-intensive, and error-prone. As an alternative, zero-shot Text-to-SQL, which leverages the growing knowledge and reasoning capabilities encoded in LLMs without task-specific fine-tuning, presents a promising and more challenging direction. To address this challenge, we propose Alpha-SQL, a novel approach that leverages a Monte Carlo Tree Search (MCTS) framework to iteratively infer SQL construction actions based on partial reasoning states. To enhance the framework's reasoning capabilities, we introduce LLM-as-Action-Model to dynamically generate SQL construction actions during the MCTS process, steering the search toward more promising SQL queries. Moreover, Alpha-SQL employs a self-supervised reward function to evaluate the quality of candidate SQL queries, ensuring more accurate and efficient query generation. Experimental results show that Alpha-SQL achieves 69.7% execution accuracy on the BIRD development set, using a 32B open-source LLM without fine-tuning. Alpha-SQL outperforms the best previous zero-shot approach based on GPT-4o by 2.5% on the BIRD development set.
CommVQ: Commutative Vector Quantization for KV Cache Compression
Venue: Conference ICML 2025
Year: 2025

Large Language Models (LLMs) are increasingly used in applications requiring long context lengths, but the key-value (KV) cache often becomes a memory bottleneck on GPUs as context grows. To address this, we propose Commutative Vector Quantization (CommVQ) to significantly reduce memory usage for long-context LLM inference. We first introduce additive quantization with a lightweight encoder and codebook to compress the KV cache, which can be decoded via simple matrix multiplication. To further reduce computational costs during decoding, we design the codebook to be commutative with Rotary Position Embedding (RoPE) and train it using an Expectation-Maximization (EM) algorithm. This enables efficient integration of decoding into the self-attention mechanism. Our approach achieves high accuracy with additive quantization and low overhead via the RoPE-commutative codebook. Experiments on long-context benchmarks and GSM8K show that our method reduces FP16 KV cache size by 87.5% with 2-bit quantization, while outperforming state-of-the-art KV cache quantization methods. Notably, it enables 1-bit KV cache quantization with minimal accuracy loss, allowing a LLaMA-3.1 8B model to run with a 128K context length on a single RTX 4090 GPU. The source code is available at: https://github.com/UMass-Embodied-AGI/CommVQ.
Towards Black-Box Membership Inference Attack for Diffusion Models
Venue: Conference ICML 2025
Year: 2025

Given the rising popularity of AI-generated art and the associated copyright concerns, identifying whether an artwork was used to train a diffusion model is an important research topic. The work approaches this problem from the membership inference attack (MIA) perspective. We first identify the limitation of applying existing MIA methods for proprietary diffusion models: the required access of internal U-nets. To address the above problem, we introduce a novel membership inference attack method that uses only the image-to-image variation API and operates without access to the model's internal U-net. Our method is based on the intuition that the model can more easily obtain an unbiased noise prediction estimate for images from the training set. By applying the API multiple times to the target image, averaging the outputs, and comparing the result to the original image, our approach can classify whether a sample was part of the training set. We validate our method using DDIM and Stable Diffusion setups and further extend both our approach and existing algorithms to the Diffusion Transformer architecture. Our experimental results consistently outperform previous methods.