OpenRaiser/Intern-Atlas huggingface dataset:
Fewer May Be Better: Enhancing Offline Reinforcement Learning with Reduced Dataset
Venue: Conference ICLR 2025
Year: 2025

Offline reinforcement learning (RL) represents a significant shift in RL research, allowing agents to learn from pre-collected datasets without further interaction with the environment. A key, yet underexplored, challenge in offline RL is selecting an optimal subset of the offline dataset that enhances both algorithm performance and training efficiency. Reducing dataset size can also reveal the minimal data requirements necessary for solving similar problems. In response to this challenge, we introduce ReDOR (Reduced Datasets for Offline RL), a method that frames dataset selection as a gradient approximation optimization problem. We demonstrate that the widely used actor-critic framework in RL can be reformulated as a submodular optimization objective, enabling efficient subset selection. To achieve this, we adapt orthogonal matching pursuit (OMP), incorporating several novel modifications tailored for offline RL. Our experimental results show that the data subsets identified by ReDOR not only boost algorithm performance but also do so with significantly lower computational complexity.
Systematic Outliers in Large Language Models
Venue: Conference ICLR 2025
Year: 2025

Outliers have been widely observed in Large Language Models (LLMs), significantly impacting model performance and posing challenges for model compression. Understanding the functionality and formation mechanisms of these outliers is critically important. Existing works, however, largely focus on reducing the impact of outliers from an algorithmic perspective, lacking an in-depth investigation into their causes and roles. In this work, we provide a detailed analysis of the formation process, underlying causes, and functions of outliers in LLMs. We define and categorize three types of outliers-activation outliers, weight outliers, and attention outliers-and analyze their distributions across different dimensions, uncovering inherent connections between their occurrences and their ultimate influence on the attention mechanism. Based on these observations, we hypothesize and explore the mechanisms by which these outliers arise and function, demonstrating through theoretical derivations and experiments that they emerge due to the self-attention mechanism's softmax operation. These outliers act as implicit context-aware scaling factors within the attention mechanism. As these outliers stem from systematic influences, we term them systematic outliers. Our study not only enhances the understanding of Transformer-based LLMs but also shows that structurally eliminating outliers can accelerate convergence and improve model compression. The code is avilable at https://github.com/an-yongqi/systematic-outliers.
Language Imbalance Driven Rewarding for Multilingual Self-improving
Venue: Conference ICLR 2025
Year: 2025

Large Language Models (LLMs) have achieved state-of-the-art performance across numerous tasks. However, these advancements have predominantly benefited "first-class" languages such as English and Chinese, leaving many other languages underrepresented. This imbalance, while limiting broader applications, generates a natural preference ranking between languages, offering an opportunity to bootstrap the multilingual capabilities of LLM in a self-improving manner. Thus, we propose $\textit{Language Imbalance Driven Rewarding}$, where the inherent imbalance between dominant and non-dominant languages within LLMs is leveraged as a reward signal. Iterative DPO training demonstrates that this approach not only enhances LLM performance in non-dominant languages but also improves the dominant language's capacity, thereby yielding an iterative reward signal. Fine-tuning Meta-Llama-3-8B-Instruct over two iterations of this approach results in continuous improvements in multilingual performance across instruction-following and arithmetic reasoning tasks, evidenced by an average improvement of 7.46% win rate on the X-AlpacaEval leaderboard and 13.9% accuracy on the MGSM benchmark. This work serves as an initial exploration, paving the way for multilingual self-improvement of LLMs. The code is available at https://github.com/ZNLP/Language-Imbalance-Driven-Rewarding
Weighted-Reward Preference Optimization for Implicit Model Fusion
Venue: Conference ICLR 2025
Year: 2025

While fusing heterogeneous open-source LLMs with varying architectures and sizes can potentially integrate the strengths of different models, existing fusion methods face significant challenges, such as vocabulary alignment and merging distribution matrices. These procedures are not only complex but also prone to introducing noise and errors. In this paper, we propose an implicit fusion method, Weighted-Reward Preference Optimization (WRPO), which leverages preference optimization between the source LLMs and the target LLM to transfer their capabilities effectively. WRPO eliminates the need for vocabulary alignment and matrix fusion and can be efficiently scaled to accommodate various LLMs. To address distributional deviations between the source and target LLMs, WRPO introduces a progressive adaptation strategy that gradually shifts reliance on preferred examples from the target LLM to the source LLMs. Extensive experiments on the MT-Bench, AlpacaEval-2, and Arena-Hard benchmarks demonstrate that WRPO consistently outperforms existing knowledge fusion methods and various fine-tuning baselines. When applied to LLaMA3-8B-Instruct as the target model, WRPO achieves a length-controlled win rate of 55.9% against GPT-4-Preview-1106 on AlpacaEval-2 and a win rate of 46.2% against GPT-4-0314 on Arena-Hard. Our code is available at https://github.com/SLIT-AI/WRPO.
Kronecker Mask and Interpretive Prompts are Language-Action Video Learners
Venue: Conference ICLR 2025
Year: 2025

Contrastive language-image pretraining (CLIP) has significantly advanced image-based vision learning. A pressing topic subsequently arises: how can we effectively adapt CLIP to the video domain? Recent studies have focused on adjusting either the textual or visual branch of CLIP for action recognition. However, we argue that adaptations of both branches are crucial. In this paper, we propose \textbf{CLAVER}: a \textbf{C}ontrastive \textbf{L}anguage-\textbf{A}ction \textbf{V}ideo Learn\textbf{er}, designed to shift CLIP's focus from the alignment of static visual objects and concrete nouns to the alignment of dynamic action behaviors and abstract verbs. Specifically, we introduce a novel Kronecker mask attention for temporal modeling. Our tailored Kronecker mask offers three benefits 1) it expands the temporal receptive field for each token, 2) it serves as an effective spatiotemporal heterogeneity inductive bias, mitigating the issue of spatiotemporal homogenization, and 3) it can be seamlessly plugged into transformer-based models. Regarding the textual branch, we leverage large language models to generate diverse, sentence-level and semantically rich interpretive prompts of actions, which shift the model's focus towards the verb comprehension. Extensive experiments on various benchmarks and learning scenarios demonstrate the superiority and generality of our approach.
VideoGrain: Modulating Space-Time Attention for Multi-Grained Video Editing
Venue: Conference ICLR 2025
Year: 2025

Recent advancements in diffusion models have significantly improved video generation and editing capabilities. However, multi-grained video editing, which encompasses class-level, instance-level, and part-level modifications, remains a formidable challenge. The major difficulties in multi-grained editing include semantic misalignment of text-to-region control and feature coupling within the diffusion model. To address these difficulties, we present VideoGrain, a zero-shot approach that modulates space-time (cross- and self-) attention mechanisms to achieve fine-grained control over video content. We enhance text-to-region control by amplifying each local prompt's attention to its corresponding spatial-disentangled region while minimizing interactions with irrelevant areas in cross-attention. Additionally, we improve feature separation by increasing intra-region awareness and reducing inter-region interference in self-attention. Extensive experiments demonstrate our method achieves state-of-the-art performance in real-world scenarios. Our code, data, and demos are available at https://knightyxp.github.io/VideoGrain_project_page/
Dynamic Multimodal Evaluation with Flexible Complexity by Vision-Language Bootstrapping
Venue: Conference ICLR 2025
Year: 2025

Large Vision-Language Models (LVLMs) have demonstrated remarkable capabilities across multimodal tasks such as visual perception and reasoning, leading to good performance on various multimodal evaluation benchmarks. However, these benchmarks keep a static nature and overlap with the pre-training data, resulting in fixed complexity constraints and data contamination issues. This raises the concern regarding the validity of the evaluation. To address these two challenges, we introduce a dynamic multimodal evaluation protocol called Vision-Language Bootstrapping (VLB). VLB provides a robust and comprehensive assessment for LVLMs with reduced data contamination and flexible complexity. To this end, VLB dynamically generates new visual question-answering samples through a multimodal bootstrapping module that modifies both images and language, while ensuring that newly generated samples remain consistent with the original ones by a judge module. By composing various bootstrapping strategies, VLB offers dynamic variants of existing benchmarks with diverse complexities, enabling the evaluation to co-evolve with the ever-evolving capabilities of LVLMs. Extensive experimental results across multiple benchmarks, including SEEDBench, MMBench, and MME, show that VLB significantly reduces data contamination and exposes performance limitations of LVLMs.
Determine-Then-Ensemble: Necessity of Top-k Union for Large Language Model Ensembling
Venue: Conference ICLR 2025
Year: 2025

Large language models (LLMs) exhibit varying strengths and weaknesses across different tasks, prompting recent studies to explore the benefits of ensembling models to leverage their complementary advantages. However, existing LLM ensembling methods often overlook model compatibility and struggle with inefficient alignment of probabilities across the entire vocabulary. In this study, we empirically investigate the factors influencing ensemble performance, identifying model performance, vocabulary size, and response style as key determinants, revealing that compatibility among models is essential for effective ensembling. This analysis leads to the development of a simple yet effective model selection strategy that identifies compatible models. Additionally, we introduce the \textsc{Uni}on \textsc{T}op-$k$ \textsc{E}nsembling (\textsc{UniTE}), a novel approach that efficiently combines models by focusing on the union of the top-k tokens from each model, thereby avoiding the need for full vocabulary alignment and reducing computational overhead. Extensive evaluations across multiple benchmarks demonstrate that \textsc{UniTE} significantly enhances performance compared to existing methods, offering a more efficient framework for LLM ensembling.
No Preference Left Behind: Group Distributional Preference Optimization
Venue: Conference ICLR 2025
Year: 2025

Preferences within a group of people are not uniform but follow a distribution. While existing alignment methods like Direct Preference Optimization (DPO) attempt to steer models to reflect human preferences, they struggle to capture the distributional pluralistic preferences within a group. These methods often skew toward dominant preferences, overlooking the diversity of opinions, especially when conflicting preferences arise. To address this issue, we propose Group Distributional Preference Optimization (GDPO), a novel framework that aligns language models with the distribution of preferences within a group by incorporating the concept of beliefs that shape individual preferences. GDPO calibrates a language model using statistical estimation of the group's belief distribution and aligns the model with belief-conditioned preferences, offering a more inclusive alignment framework than traditional methods. In experiments using both synthetic controllable opinion generation and real-world movie review datasets, we show that DPO fails to align with the targeted belief distributions, while GDPO consistently reduces this alignment gap during training. Moreover, our evaluation metrics demonstrate that GDPO outperforms existing approaches in aligning with group distributional preferences, marking a significant advance in pluralistic alignment.
DeFT: Decoding with Flash Tree-attention for Efficient Tree-structured LLM Inference
Venue: Conference ICLR 2025
Year: 2025

Large language models (LLMs) are increasingly employed for complex tasks that process multiple generation calls in a tree structure with shared prefixes of tokens, including few-shot prompting, multi-step reasoning, speculative decoding, etc. However, existing inference systems for tree-based applications are inefficient due to improper partitioning of queries and KV cache during attention calculation. This leads to two main issues: (1) a lack of memory access (IO) reuse for KV cache of shared prefixes, and (2) poor load balancing.As a result, there is redundant KV cache IO between GPU global memory and shared memory, along with low GPU utilization. To address these challenges, we propose DeFT(Decoding with Flash Tree-Attention), a hardware-efficient attention algorithm with prefix-aware and load-balanced KV cache partitions. DeFT reduces the number of read/write operations of KV cache during attention calculation through KV-Guided Grouping, a method that avoids repeatedly loading KV cache of shared prefixes in attention computation. Additionally, we propose Flattened Tree KV Splitting, a mechanism that ensures even distribution of the KV cache across partitions with little computation redundancy, enhancing GPU utilization during attention computations. By reducing 73-99% KV cache IO and nearly 100% IO for partial results during attention calculation, DeFT achieves up to 2.23/3.59x speedup in the end-to-end/attention latency across three practical tree-based workloads compared to state-of-the-art attention algorithms. Our code is available at https://github.com/LINs-lab/DeFT.
Offline RL with Smooth OOD Generalization in Convex Hull and its Neighborhood
Venue: Conference ICLR 2025
Year: 2025

Offline Reinforcement Learning (RL) struggles with distributional shifts, leading to the $Q$-value overestimation for out-of-distribution (OOD) actions. Existing methods address this issue by imposing constraints; however, they often become overly conservative when evaluating OOD regions, which constrains the $Q$-function generalization. This over-constraint issue results in poor $Q$-value estimation and hinders policy improvement. In this paper, we introduce a novel approach to achieve better $Q$-value estimation by enhancing $Q$-function generalization in OOD regions within Convex Hull and its Neighborhood (CHN). Under the safety generalization guarantees of the CHN, we propose the Smooth Bellman Operator (SBO), which updates OOD $Q$-values by smoothing them with neighboring in-sample $Q$-values. We theoretically show that SBO approximates true $Q$-values for both in-sample and OOD actions within the CHN. Our practical algorithm, Smooth Q-function OOD Generalization (SQOG), empirically alleviates the over-constraint issue, achieving near-accurate $Q$-value estimation. On the D4RL benchmarks, SQOG outperforms existing state-of-the-art methods in both performance and computational efficiency.
Unifying Causal Representation Learning with the Invariance Principle
Venue: Conference ICLR 2025
Year: 2025

Causal representation learning (CRL) aims at recovering latent causal variables from high-dimensional observations to solve causal downstream tasks, such as predicting the effect of new interventions or more robust classification. A plethora of methods have been developed, each tackling carefully crafted problem settings that lead to different types of identifiability. These different settings are widely assumed to be important because they are often linked to different rungs of Pearl's causal hierarchy, even though this correspondence is not always exact. This work shows that instead of strictly conforming to this hierarchical mapping, many causal representation learning approaches methodologically align their representations with inherent data symmetries. Identification of causal variables is guided by invariance principles that are not necessarily causal. This result allows us to unify many existing approaches in a single method that can mix and match different assumptions, including non-causal ones, based on the invariance relevant to the problem at hand. It also significantly benefits applicability, which we demonstrate by improving treatment effect estimation on real-world high-dimensional ecological data. Overall, this paper clarifies the role of causal assumptions in the discovery of causal variables and shifts the focus to preserving data symmetries.
Equivariant Masked Position Prediction for Efficient Molecular Representation
Venue: Conference ICLR 2025
Year: 2025

Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability to effectively capture the fundamental principles of physics and chemistry, which constrains their generalization capabilities. To address this challenge, we introduce a novel self-supervised approach termed Equivariant Masked Position Prediction (EMPP), grounded in intramolecular potential and force theory. Unlike conventional attribute masking techniques, EMPP formulates a nuanced position prediction task that is more well-defined and enhances the learning of quantum mechanical features. EMPP also bypasses the approximation of the Gaussian mixture distribution commonly used in denoising methods, allowing for more accurate acquisition of physical properties. Experimental results indicate that EMPP significantly enhances performance of advanced molecular architectures, surpassing state-of-the-art self-supervised approaches. Our code is released in https://github.com/ajy112/EMPP
Towards Neural Scaling Laws for Time Series Foundation Models
Venue: Conference ICLR 2025
Year: 2025

Scaling laws offer valuable insights into the design of time series foundation models (TSFMs). However, previous research has largely focused on the scaling laws of TSFMs for in-distribution (ID) data, leaving their out-of-distribution (OOD) scaling behavior and the influence of model architectures less explored. In this work, we examine two common TSFM architectures, encoder-only and decoder-only Transformers, and investigate their scaling behavior on both ID and OOD data. These models are trained and evaluated across varying parameter counts, compute budgets, and dataset sizes. Our experiments reveal that the log-likelihood loss of TSFMs exhibits similar scaling behavior in both OOD and ID settings. We further compare the scaling properties across different architectures, incorporating two state-of-the-art TSFMs as case studies, showing that model architecture plays a significant role in scaling. The encoder-only Transformers demonstrate better scalability than the decoder-only Transformers, while the architectural enhancements in the two advanced TSFMs primarily improve ID performance but reduce OOD scalability. While scaling up TSFMs is expected to drive performance breakthroughs, the lack of a comprehensive understanding of TSFM scaling laws has hindered the development of a robust framework to guide model scaling. We fill this gap in this work by synthesizing our findings and providing practical guidelines for designing and scaling larger TSFMs with enhanced model capabilities.
SGD with memory: fundamental properties and stochastic acceleration
Venue: Conference ICLR 2025
Year: 2025

An important open problem is the theoretically feasible acceleration of mini-batch SGD-type algorithms on quadratic problems with power-law spectrum. In the non-stochastic setting, the optimal exponent $ξ$ in the loss convergence $L_t\sim C_Lt^{-ξ}$ is double that in plain GD and is achievable using Heavy Ball (HB) with a suitable schedule; this no longer works in the presence of mini-batch noise. We address this challenge by considering first-order methods with an arbitrary fixed number $M$ of auxiliary velocity vectors (*memory-$M$ algorithms*). We first prove an equivalence between two forms of such algorithms and describe them in terms of suitable characteristic polynomials. Then we develop a general expansion of the loss in terms of signal and noise propagators. Using it, we show that losses of stationary stable memory-$M$ algorithms always retain the exponent $ξ$ of plain GD, but can have different constants $C_L$ depending on their effective learning rate that generalizes that of HB. We prove that in memory-1 algorithms we can make $C_L$ arbitrarily small while maintaining stability. As a consequence, we propose a memory-1 algorithm with a time-dependent schedule that we show heuristically and experimentally to improve the exponent $ξ$ of plain SGD.
PhyloLM: Inferring the Phylogeny of Large Language Models and Predicting their Performances in Benchmarks
Venue: Conference ICLR 2025
Year: 2025

This paper introduces PhyloLM, a method adapting phylogenetic algorithms to Large Language Models (LLMs) to explore whether and how they relate to each other and to predict their performance characteristics. Our method calculates a phylogenetic distance metric based on the similarity of LLMs' output. The resulting metric is then used to construct dendrograms, which satisfactorily capture known relationships across a set of 111 open-source and 45 closed models. Furthermore, our phylogenetic distance predicts performance in standard benchmarks, thus demonstrating its functional validity and paving the way for a time and cost-effective estimation of LLM capabilities. To sum up, by translating population genetic concepts to machine learning, we propose and validate a tool to evaluate LLM development, relationships and capabilities, even in the absence of transparent training information.
HELM: Hierarchical Encoding for mRNA Language Modeling
Venue: Conference ICLR 2025
Year: 2025

Messenger RNA (mRNA) plays a crucial role in protein synthesis, with its codon structure directly impacting biological properties. While Language Models (LMs) have shown promise in analyzing biological sequences, existing approaches fail to account for the hierarchical nature of mRNA's codon structure. We introduce Hierarchical Encoding for mRNA Language Modeling (HELM), a novel pre-training strategy that incorporates codon-level hierarchical structure into language model training. HELM modulates the loss function based on codon synonymity, aligning the model's learning process with the biological reality of mRNA sequences. We evaluate HELM on diverse mRNA datasets and tasks, demonstrating that HELM outperforms standard language model pre-training as well as existing foundation model baselines on seven diverse downstream property prediction tasks and an antibody region annotation tasks on average by around 8%. Additionally, HELM enhances the generative capabilities of language model, producing diverse mRNA sequences that better align with the underlying true data distribution compared to non-hierarchical baselines.