OpenRaiser/Intern-Atlas huggingface dataset:
URLOST: Unsupervised Representation Learning without Stationarity or Topology
Venue: Conference ICLR 2025
Year: 2025

Unsupervised representation learning has seen tremendous progress. However, it is constrained by its reliance on domain specific stationarity and topology, a limitation not found in biological intelligence systems. For instance, unlike computer vision, human vision can process visual signals sampled from highly irregular and non-stationary sensors. We introduce a novel framework that learns from high-dimensional data without prior knowledge of stationarity and topology. Our model, abbreviated as URLOST, combines a learnable self-organizing layer, spectral clustering, and a masked autoencoder (MAE). We evaluate its effectiveness on three diverse data modalities including simulated biological vision data, neural recordings from the primary visual cortex, and gene expressions. Compared to state-of-the-art unsupervised learning methods like SimCLR and MAE, our model excels at learning meaningful representations across diverse modalities without knowing their stationarity or topology. It also outperforms other methods that are not dependent on these factors, setting a new benchmark in the field. We position this work as a step toward unsupervised learning methods capable of generalizing across diverse high-dimensional data modalities.
Robust Conformal Prediction with a Single Binary Certificate
Venue: Conference ICLR 2025
Year: 2025

Conformal prediction (CP) converts any model's output to prediction sets with a guarantee to cover the true label with (adjustable) high probability. Robust CP extends this guarantee to worst-case (adversarial) inputs. Existing baselines achieve robustness by bounding randomly smoothed conformity scores. In practice, they need expensive Monte-Carlo (MC) sampling (e.g. $\sim10^4$ samples per point) to maintain an acceptable set size. We propose a robust conformal prediction that produces smaller sets even with significantly lower MC samples (e.g. 150 for CIFAR10). Our approach binarizes samples with an adjustable (or automatically adjusted) threshold selected to preserve the coverage guarantee. Remarkably, we prove that robustness can be achieved by computing only one binary certificate, unlike previous methods that certify each calibration (or test) point. Thus, our method is faster and returns smaller robust sets. We also eliminate a previous limitation that requires a bounded score function.
Hidden in the Noise: Two-Stage Robust Watermarking for Images
Venue: Conference ICLR 2025
Year: 2025

As the quality of image generators continues to improve, deepfakes become a topic of considerable societal debate. Image watermarking allows responsible model owners to detect and label their AI-generated content, which can mitigate the harm. Yet, current state-of-the-art methods in image watermarking remain vulnerable to forgery and removal attacks. This vulnerability occurs in part because watermarks distort the distribution of generated images, unintentionally revealing information about the watermarking techniques. In this work, we first demonstrate a distortion-free watermarking method for images, based on a diffusion model's initial noise. However, detecting the watermark requires comparing the initial noise reconstructed for an image to all previously used initial noises. To mitigate these issues, we propose a two-stage watermarking framework for efficient detection. During generation, we augment the initial noise with generated Fourier patterns to embed information about the group of initial noises we used. For detection, we (i) retrieve the relevant group of noises, and (ii) search within the given group for an initial noise that might match our image. This watermarking approach achieves state-of-the-art robustness to forgery and removal against a large battery of attacks.
Decentralized Sporadic Federated Learning: A Unified Algorithmic Framework with Convergence Guarantees
Venue: Conference ICLR 2025
Year: 2025

Decentralized federated learning (DFL) captures FL settings where both (i) model updates and (ii) model aggregations are exclusively carried out by the clients without a central server. Existing DFL works have mostly focused on settings where clients conduct a fixed number of local updates between local model exchanges, overlooking heterogeneity and dynamics in communication and computation capabilities. In this work, we propose Decentralized Sporadic Federated Learning ($\texttt{DSpodFL}$), a DFL methodology built on a generalized notion of $\textit{sporadicity}$ in both local gradient and aggregation processes. $\texttt{DSpodFL}$ subsumes many existing decentralized optimization methods under a unified algorithmic framework by modeling the per-iteration (i) occurrence of gradient descent at each client and (ii) exchange of models between client pairs as arbitrary indicator random variables, thus capturing $\textit{heterogeneous and time-varying}$ computation/communication scenarios. We analytically characterize the convergence behavior of $\texttt{DSpodFL}$ for both convex and non-convex models and for both constant and diminishing learning rates, under mild assumptions on the communication graph connectivity, data heterogeneity across clients, and gradient noises. We show how our bounds recover existing results from decentralized gradient descent as special cases. Experiments demonstrate that $\texttt{DSpodFL}$ consistently achieves improved training speeds compared with baselines under various system settings.
Binary Losses for Density Ratio Estimation
Venue: Conference ICLR 2025
Year: 2025

Estimating the ratio of two probability densities from a finite number of observations is a central machine learning problem. A common approach is to construct estimators using binary classifiers that distinguish observations from the two densities. However, the accuracy of these estimators depends on the choice of the binary loss function, raising the question of which loss function to choose based on desired error properties. For example, traditional loss functions, such as logistic or boosting loss, prioritize accurate estimation of small density ratio values over large ones, even though the latter are more critical in many applications. In this work, we start with prescribed error measures in a class of Bregman divergences and characterize all loss functions that result in density ratio estimators with small error. Our characterization extends results on composite binary losses from (Reid & Williamson, 2010) and their connection to density ratio estimation as identified by (Menon & Ong, 2016). As a result, we obtain a simple recipe for constructing loss functions with certain properties, such as those that prioritize an accurate estimation of large density ratio values. Our novel loss functions outperform related approaches for resolving parameter choice issues of 11 deep domain adaptation algorithms in average performance across 484 real-world tasks including sensor signals, texts, and images.
TimeSuite: Improving MLLMs for Long Video Understanding via Grounded Tuning
Venue: Conference ICLR 2025
Year: 2025

Multimodal Large Language Models (MLLMs) have demonstrated impressive performance in short video understanding. However, understanding long-form videos still remains challenging for MLLMs. This paper proposes TimeSuite, a collection of new designs to adapt the existing short-form video MLLMs for long video understanding, including a simple yet efficient framework to process long video sequence, a high-quality video dataset for grounded tuning of MLLMs, and a carefully-designed instruction tuning task to explicitly incorporate the grounding supervision in the traditional QA format. Specifically, based on VideoChat, we propose our long-video MLLM, coined as VideoChat-T, by implementing a token shuffling to compress long video tokens and introducing Temporal Adaptive Position Encoding (TAPE) to enhance the temporal awareness of visual representation. Meanwhile, we introduce the TimePro, a comprehensive grounding-centric instruction tuning dataset composed of 9 tasks and 349k high-quality grounded annotations. Notably, we design a new instruction tuning task type, called Temporal Grounded Caption, to peform detailed video descriptions with the corresponding time stamps prediction. This explicit temporal location prediction will guide MLLM to correctly attend on the visual content when generating description, and thus reduce the hallucination risk caused by the LLMs. Experimental results demonstrate that our TimeSuite provides a successful solution to enhance the long video understanding capability of short-form MLLM, achieving improvement of 5.6% and 6.8% on the benchmarks of Egoschema and VideoMME, respectively. In addition, VideoChat-T exhibits robust zero-shot temporal grounding capabilities, significantly outperforming the existing state-of-the-art MLLMs. After fine-tuning, it performs on par with the traditional supervised expert models.
Local-Prompt: Extensible Local Prompts for Few-Shot Out-of-Distribution Detection
Venue: Conference ICLR 2025
Year: 2025

Out-of-Distribution (OOD) detection, aiming to distinguish outliers from known categories, has gained prominence in practical scenarios. Recently, the advent of vision-language models (VLM) has heightened interest in enhancing OOD detection for VLM through few-shot tuning. However, existing methods mainly focus on optimizing global prompts, ignoring refined utilization of local information with regard to outliers. Motivated by this, we freeze global prompts and introduce Local-Prompt, a novel coarse-to-fine tuning paradigm to emphasize regional enhancement with local prompts. Our method comprises two integral components: global prompt guided negative augmentation and local prompt enhanced regional regularization. The former utilizes frozen, coarse global prompts as guiding cues to incorporate negative augmentation, thereby leveraging local outlier knowledge. The latter employs trainable local prompts and a regional regularization to capture local information effectively, aiding in outlier identification. We also propose regional-related metric to empower the enrichment of OOD detection. Moreover, since our approach explores enhancing local prompts only, it can be seamlessly integrated with trained global prompts during inference to boost the performance. Comprehensive experiments demonstrate the effectiveness and potential of our method. Notably, our method reduces average FPR95 by 5.17% against state-of-the-art method in 4-shot tuning on challenging ImageNet-1k dataset, even outperforming 16-shot results of previous methods. Code is released at https://github.com/AuroraZengfh/Local-Prompt.
Learning Structured Representations by Embedding Class Hierarchy with Fast Optimal Transport
Venue: Conference ICLR 2025
Year: 2025

To embed structured knowledge within labels into feature representations, prior work [Zeng et al., 2022] proposed to use the Cophenetic Correlation Coefficient (CPCC) as a regularizer during supervised learning. This regularizer calculates pairwise Euclidean distances of class means and aligns them with the corresponding shortest path distances derived from the label hierarchy tree. However, class means may not be good representatives of the class conditional distributions, especially when they are multi-mode in nature. To address this limitation, under the CPCC framework, we propose to use the Earth Mover's Distance (EMD) to measure the pairwise distances among classes in the feature space. We show that our exact EMD method generalizes previous work, and recovers the existing algorithm when class-conditional distributions are Gaussian. To further improve the computational efficiency of our method, we introduce the Optimal Transport-CPCC family by exploring four EMD approximation variants. Our most efficient OT-CPCC variant, the proposed Fast FlowTree algorithm, runs in linear time in the size of the dataset, while maintaining competitive performance across datasets and tasks. The code is available at https://github.com/uiuctml/OTCPCC.
ZETA: Leveraging Z-order Curves for Efficient Top-k Attention
Venue: Conference ICLR 2025
Year: 2025

Over recent years, the Transformer has become a fundamental building block for sequence modeling architectures. Yet at its core is the use of self-attention, whose memory and computational cost grow quadratically with the sequence length $N$, rendering it prohibitively expensive for long sequences. A promising approach is top-$k$ attention, which selects only the $k$ most relevant tokens and achieves performance comparable to vanilla self-attention while significantly reducing space and computational demands. However, causal masks require the current query token to only attend to past tokens, preventing the existing top-$k$ attention method from efficiently searching for the most relevant tokens in parallel, thereby limiting training efficiency. In this work, we propose ZETA, leveraging \textbf{Z}-Order Curves for \textbf{E}fficient \textbf{T}op-$k$ \textbf{A}ttention, to enable parallel querying of past tokens for entire sequences. % in both space and time complexity of $\mathcal{O}(N \log N)$. We first theoretically show that the choice of key and query dimensions involves a trade-off between the curse of dimensionality and the preservation of relative distances after projection. In light of this insight, we propose reducing the dimensionality of keys and queries in contrast to values and further leverage $Z$-order curves to map low-dimensional keys and queries into \emph{one}-dimensional space, which permits parallel sorting, thereby largely improving the efficiency for top-$k$ token selection. Experimental results demonstrate that ZETA matches the performance of standard attention on the synthetic \textsc{Multi-Query Associative Recall} task and outperforms attention and its variants on \textsc{Long Range Arena} and \textsc{WikiText-103} language modeling.
Seq-VCR: Preventing Collapse in Intermediate Transformer Representations for Enhanced Reasoning
Venue: Conference ICLR 2025
Year: 2025

Decoder-only Transformers often struggle with complex reasoning tasks, particularly arithmetic reasoning requiring multiple sequential operations. In this work, we identify representation collapse in the model's intermediate layers as a key factor limiting their reasoning capabilities. To address this, we propose Sequential Variance-Covariance Regularization (Seq-VCR), which enhances the entropy of intermediate representations and prevents collapse. Combined with dummy pause tokens as substitutes for chain-of-thought (CoT) tokens, our method significantly improves performance in arithmetic reasoning problems. In the challenging $5 \times 5$ integer multiplication task, our approach achieves $99.5\%$ exact match accuracy, outperforming models of the same size (which yield $0\%$ accuracy) and GPT-4 with five-shot CoT prompting ($44\%$). We also demonstrate superior results on arithmetic expression and longest increasing subsequence (LIS) datasets. Our findings highlight the importance of preventing intermediate layer representation collapse to enhance the reasoning capabilities of Transformers and show that Seq-VCR offers an effective solution without requiring explicit CoT supervision.
B-STaR: Monitoring and Balancing Exploration and Exploitation in Self-Taught Reasoners
Venue: Conference ICLR 2025
Year: 2025

In the absence of extensive human-annotated data for complex reasoning tasks, self-improvement -- where models are trained on their own outputs -- has emerged as a primary method for enhancing performance. However, the critical factors underlying the mechanism of these iterative self-improving methods remain poorly understood, such as under what conditions self-improvement is effective, and what are the bottlenecks in the current iterations. In this work, we identify and propose methods to monitor two pivotal factors in this iterative process: (1) the model's ability to generate sufficiently diverse responses (exploration); and (2) the effectiveness of external rewards in distinguishing high-quality candidates from lower-quality ones (exploitation). Using mathematical reasoning as a case study, we begin with a quantitative analysis to track the dynamics of exploration and exploitation, discovering that a model's exploratory capabilities rapidly deteriorate over iterations, and the effectiveness of exploiting external rewards diminishes as well. Motivated by these findings, we introduce B-STaR, a Self-Taught Reasoning framework that autonomously adjusts configurations across iterations to Balance exploration and exploitation, thereby optimizing the self-improving effectiveness based on the current policy model and available rewards. Our experiments on mathematical reasoning, coding, and commonsense reasoning demonstrate that B-STaR not only enhances the model's exploratory capabilities throughout training but also achieves a more effective balance between exploration and exploitation, leading to superior performance.
PhyMPGN: Physics-encoded Message Passing Graph Network for spatiotemporal PDE systems
Venue: Conference ICLR 2025
Year: 2025

Solving partial differential equations (PDEs) serves as a cornerstone for modeling complex dynamical systems. Recent progresses have demonstrated grand benefits of data-driven neural-based models for predicting spatiotemporal dynamics (e.g., tremendous speedup gain compared with classical numerical methods). However, most existing neural models rely on rich training data, have limited extrapolation and generalization abilities, and suffer to produce precise or reliable physical prediction under intricate conditions (e.g., irregular mesh or geometry, complex boundary conditions, diverse PDE parameters, etc.). To this end, we propose a new graph learning approach, namely, Physics-encoded Message Passing Graph Network (PhyMPGN), to model spatiotemporal PDE systems on irregular meshes given small training datasets. Specifically, we incorporate a GNN into a numerical integrator to approximate the temporal marching of spatiotemporal dynamics for a given PDE system. Considering that many physical phenomena are governed by diffusion processes, we further design a learnable Laplace block, which encodes the discrete Laplace-Beltrami operator, to aid and guide the GNN learning in a physically feasible solution space. A boundary condition padding strategy is also designed to improve the model convergence and accuracy. Extensive experiments demonstrate that PhyMPGN is capable of accurately predicting various types of spatiotemporal dynamics on coarse unstructured meshes, consistently achieves the state-of-the-art results, and outperforms other baselines with considerable gains.
Multimodal Quantitative Language for Generative Recommendation
Venue: Conference ICLR 2025
Year: 2025

Generative recommendation has emerged as a promising paradigm aiming at directly generating the identifiers of the target candidates. Most existing methods attempt to leverage prior knowledge embedded in Pre-trained Language Models (PLMs) to improve the recommendation performance. However, they often fail to accommodate the differences between the general linguistic knowledge of PLMs and the specific needs of recommendation systems. Moreover, they rarely consider the complementary knowledge between the multimodal information of items, which represents the multi-faceted preferences of users. To facilitate efficient recommendation knowledge transfer, we propose a novel approach called Multimodal Quantitative Language for Generative Recommendation (MQL4GRec). Our key idea is to transform items from different domains and modalities into a unified language, which can serve as a bridge for transferring recommendation knowledge. Specifically, we first introduce quantitative translators to convert the text and image content of items from various domains into a new and concise language, known as quantitative language, with all items sharing the same vocabulary. Then, we design a series of quantitative language generation tasks to enrich quantitative language with semantic information and prior knowledge. Finally, we achieve the transfer of recommendation knowledge from different domains and modalities to the recommendation task through pre-training and fine-tuning. We evaluate the effectiveness of MQL4GRec through extensive experiments and comparisons with existing methods, achieving improvements over the baseline by 11.18\%, 14.82\%, and 7.95\% on the NDCG metric across three different datasets, respectively.
CAT-3DGS: A Context-Adaptive Triplane Approach to Rate-Distortion-Optimized 3DGS Compression
Venue: Conference ICLR 2025
Year: 2025

3D Gaussian Splatting (3DGS) has recently emerged as a promising 3D representation. Much research has been focused on reducing its storage requirements and memory footprint. However, the needs to compress and transmit the 3DGS representation to the remote side are overlooked. This new application calls for rate-distortion-optimized 3DGS compression. How to quantize and entropy encode sparse Gaussian primitives in the 3D space remains largely unexplored. Few early attempts resort to the hyperprior framework from learned image compression. But, they fail to utilize fully the inter and intra correlation inherent in Gaussian primitives. Built on ScaffoldGS, this work, termed CAT-3DGS, introduces a context-adaptive triplane approach to their rate-distortion-optimized coding. It features multi-scale triplanes, oriented according to the principal axes of Gaussian primitives in the 3D space, to capture their inter correlation (i.e. spatial correlation) for spatial autoregressive coding in the projected 2D planes. With these triplanes serving as the hyperprior, we further perform channel-wise autoregressive coding to leverage the intra correlation within each individual Gaussian primitive. Our CAT-3DGS incorporates a view frequency-aware masking mechanism. It actively skips from coding those Gaussian primitives that potentially have little impact on the rendering quality. When trained end-to-end to strike a good rate-distortion trade-off, our CAT-3DGS achieves the state-of-the-art compression performance on the commonly used real-world datasets.
Data Center Cooling System Optimization Using Offline Reinforcement Learning
Venue: Conference ICLR 2025
Year: 2025

The recent advances in information technology and artificial intelligence have fueled a rapid expansion of the data center (DC) industry worldwide, accompanied by an immense appetite for electricity to power the DCs. In a typical DC, around 30~40% of the energy is spent on the cooling system rather than on computer servers, posing a pressing need for developing new energy-saving optimization technologies for DC cooling systems. However, optimizing such real-world industrial systems faces numerous challenges, including but not limited to a lack of reliable simulation environments, limited historical data, and stringent safety and control robustness requirements. In this work, we present a novel physics-informed offline reinforcement learning (RL) framework for energy efficiency optimization of DC cooling systems. The proposed framework models the complex dynamical patterns and physical dependencies inside a server room using a purposely designed graph neural network architecture that is compliant with the fundamental time-reversal symmetry. Because of its well-behaved and generalizable state-action representations, the model enables sample-efficient and robust latent space offline policy learning using limited real-world operational data. Our framework has been successfully deployed and verified in a large-scale production DC for closed-loop control of its air-cooling units (ACUs). We conducted a total of 2000 hours of short and long-term experiments in the production DC environment. The results show that our method achieves 14~21% energy savings in the DC cooling system, without any violation of the safety or operational constraints. Our results have demonstrated the significant potential of offline RL in solving a broad range of data-limited, safety-critical real-world industrial control problems.