ICLR 2025 Papers

We establish in-expectation and tail bounds on the generalization error of representation learning type algorithms. The bounds are in terms of the relative entropy between the distribution of the representations extracted from the training and "test'' datasets and a data-dependent symmetric prior, i.e., the Minimum Description Length (MDL) of the latent variables for the training and test datasets. Our bounds are shown to reflect the "structure" and "simplicity'' of the encoder and significantly improve upon the few existing ones for the studied model. We then use our in-expectation bound to devise a suitable data-dependent regularizer; and we investigate thoroughly the important question of the selection of the prior. We propose a systematic approach to simultaneously learning a data-dependent Gaussian mixture prior and using it as a regularizer. Interestingly, we show that a weighted attention mechanism emerges naturally in this procedure. Our experiments show that our approach outperforms the now popular Variational Information Bottleneck (VIB) method as well as the recent Category-Dependent VIB (CDVIB).

We propose MoE-F — a formalized mechanism for combining N pre-trained expert Large Language Models (LLMs) in online time-series prediction tasks by adaptively forecasting the best weighting of LLM predictions at every time step. Our mechanism leverages the conditional information in each expert's running performance to forecast the best combination of LLMs for predicting the time series in its next step. Diverging from static (learned) Mixture of Experts (MoE) methods, our approach employs time-adaptive stochastic filtering techniques to combine experts. By framing the expert selection problem as a finite state-space, continuous-time Hidden Markov model (HMM), we can leverage the Wohman-Shiryaev filter. Our approach first constructs N parallel filters corresponding to each of the N individual LLMs. Each filter proposes its best combination of LLMs, given the information that they have access to. Subsequently, the N filter outputs are optimally aggregated to maximize their robust predictive power, and this update is computed efficiently via a closed-form expression, thus generating our ensemble predictor. Our contributions are: - **(I)** the MoE-F algorithm — deployable as a plug-and-play filtering harness, - **(II)** theoretical optimality guarantees of the proposed filtering-based gating algorithm (via optimality guarantees for its parallel Bayesian filtering and its robust aggregation steps), and - **(III)** empirical evaluation and ablative results using state-of-the-art foundational and MoE LLMs on a real-world _Financial Market Movement_ task where MoE-F attains a remarkable 17% absolute and 48.5% relative F1 measure improvement over the next best performing individual LLM expert predicting short-horizon market movement based on streaming news. Further, we provide empirical evidence of substantial performance gains in applying MoE-F over specialized models in the _long-horizon time-series forecasting_ domain. Code available on github: https://github.com/raeidsaqur/moe-f

The scaling of large language models (LLMs) has revolutionized their capabilities in various tasks, yet this growth must be matched with efficient computational strategies. The Mixture-of-Experts (MoE) architecture stands out for its ability to scale model size without significantly increasing training costs. Despite their advantages, current MoE models often display parameter inefficiency. For instance, a pre-trained MoE-based LLM with 52 billion parameters might perform comparably to a standard model with 6.7 billion. Being a crucial part of MoE, current routers in different layers independently assign tokens without leveraging historical routing information, potentially leading to suboptimal token-expert combinations and the parameter inefficiency problem. To alleviate this issue, we introduce the Layerwise Recurrent Router for Mixture-of-Experts (RMoE). RMoE leverages a Gated Recurrent Unit (GRU) to establish dependencies between routing decisions across consecutive layers. Such layerwise recurrence can be efficiently parallelly computed for input tokens and introduces negotiable costs. Our extensive empirical evaluations demonstrate that RMoE-based language models consistently outperform a spectrum of baseline models. Furthermore, RMoE integrates a novel computation stage orthogonal to existing methods, allowing seamless compatibility with other MoE architectures. Our analyses attribute RMoE's gains to its effective cross-layer information sharing, which also improves expert selection and diversity.

While large language models (LLMs) excel on generation tasks, their decoder-only architecture often limits their potential as embedding models if no further representation finetuning is applied. Does this contradict their claim of generalists? To answer the question, we take a closer look at Mixture-of-Experts (MoE) LLMs. Our study shows that the expert routers in MoE LLMs can serve as an off-the-shelf embedding model with promising performance on a diverse class of embedding-focused tasks, without requiring any finetuning. Moreover, our extensive analysis shows that the MoE routing weights (RW) is complementary to the hidden state (HS) of LLMs, a widely-used embedding. Compared to HS, we find that RW is more robust to the choice of prompts and focuses on high-level semantics. Motivated by the analysis, we propose MoEE combining RW and HS, which achieves better performance than using either separately. Our exploration of their combination and prompting strategy shed several novel insights, e.g., a weighted sum of RW and HS similarities outperforms the similarity on their concatenation. Our experiments are conducted on 6 embedding tasks with 20 datasets from the Massive Text Embedding Benchmark (MTEB). The results demonstrate the significant improvement brought by MoEE to LLM-based embedding without further finetuning.

Deep learning for time series forecasting has seen significant advancements over the past decades. However, despite the success of large-scale pre-training in language and vision domains, pre-trained time series models remain limited in scale and operate at a high cost, hindering the development of larger capable forecasting models in real-world applications. In response, we introduce Time-MoE, a scalable and unified architecture designed to pre-train larger, more capable forecasting foundation models while reducing inference costs. By leveraging a sparse mixture-of-experts (MoE) design, Time-MoE enhances computational efficiency by activating only a subset of networks for each prediction, reducing computational load while maintaining high model capacity. This allows Time-MoE to scale effectively without a corresponding increase in inference costs. Time-MoE comprises a family of decoder-only transformer models that operate in an auto-regressive manner and support flexible forecasting horizons with varying input context lengths. We pre-trained these models on our newly introduced large-scale data Time-300B, which spans over 9 domains and encompassing over 300 billion time points. For the first time, we scaled a time series foundation model up to 2.4 billion parameters, achieving significantly improved forecasting precision. Our results validate the applicability of scaling laws for training tokens and model size in the context of time series forecasting. Compared to dense models with the same number of activated parameters or equivalent computation budgets, our models consistently outperform them by large margin. These advancements position Time-MoE as a state-of-the-art solution for tackling real-world time series forecasting challenges with superior capability, efficiency, and flexibility. Code is available at https://github.com/Time-MoE/Time-MoE

The Mixture of Experts (MoE) architecture has emerged as a promising solution to reduce computational overhead by selectively activating subsets of model parameters. The effectiveness of MoE models depends primarily on their routing mechanisms, with the widely adopted Top-K routing scheme used for activating experts. However, the Top-K scheme has notable limitations, including unnecessary activations and underutilization of experts. In this work, rather than modifying the routing mechanism as done in previous studies, we propose the Ternary Choice MoE (TC-MoE), a novel approach that expands the expert space by applying the ternary set {-1, 0, 1} to each expert. This expansion allows more efficient and effective expert activations without incurring significant computational costs. Additionally, given the unique characteristics of the expanded expert space, we introduce a new load balance loss and reward loss to ensure workload balance and achieve a flexible trade-off between effectiveness and efficiency. Extensive experiments demonstrate that TC-MoE achieves an average improvement of over 1.1% compared with traditional approaches, while reducing the average number of activated experts by up to 9%. These results confirm that TC-MoE effectively addresses the inefficiencies of conventional routing schemes, offering a more efficient and scalable solution for MoE-based large language models. Code and models are available at https://github.com/stiger1000/TC-MoE.

The ability to accurately interpret complex visual information is a crucial topic of multimodal large language models (MLLMs). Recent work indicates that enhanced visual perception significantly reduces hallucinations and improves performance on resolution-sensitive tasks, such as optical character recognition and document analysis. A number of recent MLLMs achieve this goal using a mixture of vision encoders. Despite their success, there is a lack of systematic comparisons and detailed ablation studies addressing critical aspects, such as expert selection and the integration of multiple vision experts. This study provides an extensive exploration of the design space for MLLMs using a mixture of vision encoders and resolutions. Our findings reveal several underlying principles common to various existing strategies, leading to a streamlined yet effective design approach. We discover that simply concatenating visual tokens from a set of complementary vision encoders is as effective as more complex mixing architectures or strategies. We additionally introduce Pre-Alignment to bridge the gap between vision-focused encoders and language tokens, enhancing model coherence. The resulting family of MLLMs, Eagle, surpasses other leading open-source models on major MLLM benchmarks.

The Mixture-of-Experts (MoE) has gained increasing attention in studying Large Vision-Language Models (LVLMs). It uses a sparse model to replace the dense model, achieving comparable performance while activating fewer parameters during inference, thus significantly reducing the inference cost. Existing MoE methods in LVLM encourage different experts to specialize in different tokens, and they usually employ a router to predict the routing of each token. However, the router is not optimized concerning distinct parameter optimization directions generated from tokens within an expert. This may lead to severe interference between tokens within an expert. To address this problem, we propose to use the token-level gradient analysis to Solving Token Gradient Conflict (STGC) in this paper. Specifically, we first use token-level gradients to identify conflicting tokens in experts. After that, we add a regularization loss tailored to encourage conflicting tokens routing from their current experts to other experts, for reducing interference between tokens within an expert. Our method can serve as a plug-in for diverse LVLM methods, and extensive experimental results demonstrate its effectiveness. demonstrate its effectiveness. The code will be publicly available at https://github.com/longrongyang/STGC.

We give a principled method for decomposing the predictive uncertainty of a model into aleatoric and epistemic components with explicit semantics relating them to the real-world data distribution. While many works in the literature have proposed such decompositions, they lack the type of formal guarantees we provide. Our method is based on the new notion of higher-order calibration, which generalizes ordinary calibration to the setting of higher-order predictors that predict _mixtures_ over label distributions at every point. We show how to measure as well as achieve higher-order calibration using access to $k$-snapshots, namely examples where each point has $k$ independent conditional labels. Under higher-order calibration, the estimated aleatoric uncertainty at a point is guaranteed to match the real-world aleatoric uncertainty averaged over all points where the prediction is made. To our knowledge, this is the first formal guarantee of this type that places no assumptions whatsoever on the real-world data distribution. Importantly, higher-order calibration is also applicable to existing higher-order predictors such as Bayesian and ensemble models and provides a natural evaluation metric for such models. We demonstrate through experiments that our method produces meaningful uncertainty decompositions in tasks such as image classification.

The Sparse Mixture of Experts (SMoE) has been widely employed to enhance the efficiency of training and inference for Transformer-based foundational models, yielding promising results. However, the performance of SMoE heavily depends on the choice of hyper-parameters, such as the number of experts and the number of experts to be activated (referred to as top-$k$), resulting in significant computational overhead due to the extensive model training by searching over various hyper-parameter configurations. As a remedy, we introduce the Dynamic Mixture of Experts (DynMoE) technique. DynMoE incorporates (1) a novel gating method that enables each token to automatically determine the number of experts to activate. (2) An adaptive process automatically adjusts the number of experts during training. Extensive numerical results across Vision, Language, and Vision-Language tasks demonstrate the effectiveness of our approach to achieve competitive performance compared to GMoE for vision and language tasks, and MoE-LLaVA for vision-language tasks, while maintaining efficiency by activating fewer parameters. Our code is available at \url{https://github.com/LINs-lab/DynMoE}.

The growth in the number of parameters of Large Language Models (LLMs) has led to a significant surge in computational requirements, making them challenging and costly to deploy. Speculative decoding (SD) leverages smaller models to efficiently propose future tokens, which are then verified by the LLM in parallel. Small models that utilise activations from the LLM currently achieve the fastest decoding speeds. However, we identify several limitations of SD models including the lack of on-policyness during training and partial observability. To address these shortcomings, we propose a more grounded architecture for small models by introducing a Mixture of Attentions for SD. Our novel architecture can be applied in two scenarios: a conventional single device deployment and a novel client-server deployment where the small model is hosted on a consumer device and the LLM on a server. In a single-device scenario, we demonstrate state-of-the-art speedups improving EAGLE-2 by 9.5% and its acceptance length by 25%. In a client-server setting, our experiments demonstrate: 1) state-of-the-art latencies with minimal calls to the server for different network conditions, and 2) in the event of a complete disconnection, our approach can maintain higher accuracy compared to other SD methods and demonstrates advantages over API calls to LLMs, which would otherwise be unable to continue the generation process.

Prompt-based techniques, such as prompt-tuning and prefix-tuning, have gained prominence for their efficiency in fine-tuning large pre-trained models. Despite their widespread adoption, the theoretical foundations of these methods remain limited. For instance, in prefix-tuning, we observe that a key factor in achieving performance parity with full fine-tuning lies in the reparameterization strategy. However, the theoretical principles underpinning the effectiveness of this approach have yet to be thoroughly examined. Our study demonstrates that reparameterization is not merely an engineering trick but is grounded in deep theoretical foundations. Specifically, we show that the reparameterization strategy implicitly encodes a shared structure between prefix key and value vectors. Building on recent insights into the connection between prefix-tuning and mixture of experts models, we further illustrate that this shared structure significantly improves sample efficiency in parameter estimation compared to non-shared alternatives. The effectiveness of prefix-tuning across diverse tasks is empirically confirmed to be enhanced by the shared structure, through extensive experiments in both visual and language domains. Additionally, we uncover similar structural benefits in prompt-tuning, offering new perspectives on its success. Our findings provide theoretical and empirical contributions, advancing the understanding of prompt-based methods and their underlying mechanisms.

Diffusion transformers have been widely adopted for text-to-image synthesis. While scaling these models up to billions of parameters shows promise, the effectiveness of scaling beyond current sizes remains underexplored and challenging. By explicitly exploiting the computational heterogeneity of image generations, we develop a new family of Mixture-of-Experts (MoE) models (EC-DIT) for diffusion transformers with expert-choice routing. EC-DIT learns to adaptively optimize the compute allocated to understand the input texts and generate the respective image patches, enabling heterogeneous computation aligned with varying text-image complexities. This heterogeneity provides an efficient way of scaling EC-DIT up to 97 billion parameters and achieving significant improvements in training convergence, text-to-image alignment, and overall generation quality over dense models and conventional MoE models. Through extensive ablations, we show that EC-DIT demonstrates superior scalability and adaptive compute allocation by recognizing varying textual importance through end-to-end training. Notably, in text-to-image alignment evaluation, our largest models achieve a state-of-the-art GenEval score of 71.68% and still maintain competitive inference speed with intuitive interpretability.

Sparse Mixture-of-Experts (MoE) architectures have emerged as a promising approach to decoupling model capacity from computational cost. At the core of the MoE model is the router, which learns the underlying clustering structure of the input distribution in order to send input tokens to appropriate experts. However, latent clusters may be unidentifiable in high dimension, which causes slow convergence, susceptibility to data contamination, and overall degraded representations as the router is unable to perform appropriate token-expert matching. We examine the router through the lens of clustering optimization and derive optimal feature weights that maximally identify the latent clusters. We use these weights to compute the token-expert routing assignments in an adaptively transformed space that promotes well-separated clusters, which helps identify the best-matched expert for each token. In particular, for each expert cluster, we compute a set of weights that scales features according to whether that expert clusters tightly along that feature. We term this novel router the Adaptive Clustering (AC) router. Our AC router enables the MoE model to obtain three connected benefits: 1) faster convergence, 2) better robustness to data corruption, and 3) overall performance improvement, as experts are specialized in semantically distinct regions of the input space. We empirically demonstrate the advantages of our AC router over baseline routing methods when applied on a variety of MoE backbones for language modeling and image recognition tasks in both clean and corrupted settings.

With the rapid development of generative models, discerning AI-generated content has evoked increasing attention from both industry and academia. In this paper, we conduct a sanity check on whether the task of AI-generated image detection has been solved. To start with, we present Chameleon dataset, consisting of AI-generated images that are genuinely challenging for human perception. To quantify the generalization of existing methods, we evaluate 9 off-the-shelf AI-generated image detectors on Chameleon dataset. Upon analysis, almost all models misclassify AI-generated images as real ones. Later, we propose AIDE AI-generated Image DEtector with Hybrid Features, which leverages multiple experts to simultaneously extract visual artifacts and noise patterns. Specifically, to capture the high-level semantics, we utilize CLIP to compute the visual embedding. This effectively enables the model to discern AI-generated images based on semantics and contextual information. Secondly, we select the highest and lowest frequency patches in the image, and compute the low-level patchwise features, aiming to detect AI-generated images by low-level artifacts, for example, noise patterns, anti-aliasing effects. While evaluating on existing benchmarks, for example, AIGCDetectBenchmark and GenImage, AIDE achieves +3.5% and +4.6% improvements to state-of-the-art methods, and on our proposed challenging Chameleon benchmarks, it also achieves promising results, despite the problem of detecting AI-generated images remains far from being solved.

Optimizing the performance of many objectives (instantiated by tasks or clients) jointly with a few Pareto stationary solutions (models) is critical in machine learning. However, previous multi-objective optimization methods often focus on a few objectives and cannot scale to many objectives that outnumber the solutions, leading to either subpar performance or ignored objectives. We introduce ''Many-objective multi-solution Transport (MosT)'', a framework that finds multiple diverse solutions in the Pareto front of many objectives. Our insight is to seek multiple solutions, each performing as a domain expert and focusing on a specific subset of objectives while collectively covering all of them. MosT formulates the problem as a bi-level optimization of weighted objectives for each solution, where the weights are defined by an optimal transport between objectives and solutions. Our algorithm ensures convergence to Pareto stationary solutions for complementary subsets of objectives. On a range of applications in federated learning, multi-task learning, and mixture-of-prompt learning for LLMs, MosT distinctly outperforms strong baselines, delivering high-quality, diverse solutions that profile the entire Pareto frontier, thus ensuring balanced trade-offs across many objectives.

Multi-modal multi-task learning holds significant promise in tackling complex diagnostic tasks and many significant medical imaging problems. It fulfills the needs in real-world diagnosis protocol to leverage information from different data sources and simultaneously perform mutually informative tasks. However, medical imaging domains introduce two key challenges: dynamic modality fusion and modality-task dependence. The quality and amount of task-related information from different modalities could vary significantly across patient samples, due to biological and demographic factors. Traditional fusion methods apply fixed combination strategies that fail to capture this dynamic relationship, potentially underutilizing modalities that carry stronger diagnostic signals for specific patients. Additionally, different clinical tasks may require dynamic feature selection and combination from various modalities, a phenomenon we term “modality-task dependence.” To address these issues, we propose M4oE, a novel Multi-modal Multi-task Mixture of Experts framework for precise Medical diagnosis. M4oE comprises Modality-Specific (MSoE) modules and a Modality-shared Modality-Task MoE (MToE) module. With collaboration from both modules, our model dynamically decomposes and learns distinct and shared information from different modalities and achieves dynamic fusion. MToE provides a joint probability model of modalities and tasks by using experts as a link and encourages experts to learn modality-task dependence via conditional mutual information loss. By doing so, M4oE offers sample and population-level interpretability of modality contributions. We evaluate M4oE on four public multi-modal medical benchmark datasets for solving two important medical diagnostic problems including breast cancer screening and retinal disease diagnosis. Results demonstrate our method's superiority over state-of-the-art methods under different metrics of classification and segmentation tasks like Accuracy, AUROC, AUPRC, and DICE.

Large Language Models (LLMs) with the Mixture-of-Experts (MoE) architectures have shown promising performance on various tasks. However, due to the huge model sizes, running them in resource-constrained environments where the GPU memory is not abundant is challenging. Some existing systems propose to use CPU resources to solve that, but they either suffer from the significant overhead of frequently moving data between CPU and GPU, or fail to consider distinct characteristics of CPUs and GPUs. This paper proposes Fiddler, a resource-efficient inference system for MoE models with limited GPU resources. Fiddler strategically utilizes CPU and GPU resources by determining the optimal execution strategy. Our evaluation shows that, unlike state-of-the-art systems that optimize for specific scenarios such as single batch inference or long prefill, Fiddler performs better in all scenarios. Compared against different baselines, Fiddler achieves 1.26 times speed up in single batch inference, 1.30 times in long prefill processing, and 11.57 times in beam search inference. The code of Fiddler is publicly available at https://github.com/efeslab/fiddler.

Adapting medical Large Language Models to local languages can reduce barriers to accessing healthcare services, but data scarcity remains a significant challenge, particularly for low-resource languages. To address this, we first construct a high-quality medical dataset and conduct analysis to ensure its quality. In order to leverage the generalization capability of multilingual LLMs to efficiently scale to more resource-constrained languages, we explore the internal information flow of LLMs from a multilingual perspective using Mixture of Experts (MoE) modularity. Technically, we propose a novel MoE routing method that employs language-specific experts and cross-lingual routing. Inspired by circuit theory, our routing analysis revealed a \textit{``Spread Out in the End``} information flow mechanism: while earlier layers concentrate cross-lingual information flow, the later layers exhibit language-specific divergence. This insight directly led to the development of the Post-MoE architecture, which applies sparse routing only in the later layers while maintaining dense others. Experimental results demonstrate that this approach enhances the generalization of multilingual models to other languages while preserving interpretability. Finally, to efficiently scale the model to 50 languages, we introduce the concept of \textit{language family} experts, drawing on linguistic priors, which enables scaling the number of languages without adding additional parameters.