ICLR 2024 Papers

Sparse Mixture-of-Experts (SMoE) has gained increasing popularity as a promising framework for scaling up multilingual machine translation (MMT) models with negligible extra computational overheads. However, current SMoE solutions neglect the intrinsic structures of the MMT problem: ($a$) $\textit{Linguistics Hierarchy.}$ Languages are naturally grouped according to their lingual properties like genetic families, phonological characteristics, etc; ($b$) $\textit{Language Complexity.}$ The learning difficulties are varied for diverse languages due to their grammar complexity, available resources, etc. Therefore, routing a fixed number of experts (e.g., $1$ or $2$ experts in usual) only at the word level leads to inferior performance. To fill in the missing puzzle, we propose $\textbf{\texttt{Lingual-SMoE}}$ by equipping the SMoE with adaptive and linguistic-guided routing policies. Specifically, it ($1$) extracts language representations to incorporate linguistic knowledge and uses them to allocate experts into different groups; ($2$) determines the number of activated experts for each target language in an adaptive and automatic manner, according to their translation difficulties, which aims to mitigate the potential over-/under-fitting issues of learning simple/challenges translations. Sufficient experimental studies on MMT benchmarks with {$16$, $50$, $100$} language pairs and various network architectures, consistently validate the superior performance of our proposals. For instance, $\texttt{Lingual-SMoE}$ outperforms its dense counterpart by over $5\%$ BLEU scores on $\texttt{OPUS-100}$ dataset.

Mixture models are traditionally represented and learned by adding several distributions as components. Allowing mixtures to subtract probability mass or density can drastically reduce the number of components needed to model complex distributions. However, learning such subtractive mixtures while ensuring they still encode a non-negative function is challenging. We investigate how to learn and perform inference on deep subtractive mixtures by squaring them. We do this in the framework of probabilistic circuits, which enable us to represent tensorized mixtures and generalize several other subtractive models. We theoretically prove that the class of squared circuits allowing subtractions can be exponentially more expressive than traditional additive mixtures; and, we empirically show this increased expressiveness on a series of real-world distribution estimation tasks.

Realistic graphs contain both (1) rich self-features of nodes and (2) informative structures of neighborhoods, jointly handled by a Graph Neural Network (GNN) in the typical setup. We propose to decouple the two modalities by **M**ixture **o**f **w**eak and **st**rong experts (**Mowst**), where the weak expert is a light-weight Multi-layer Perceptron (MLP), and the strong expert is an off-the-shelf GNN. To adapt the experts' collaboration to different target nodes, we propose a "confidence" mechanism based on the dispersion of the weak expert's prediction logits. The strong expert is conditionally activated in the low-confidence region when either the node's classification relies on neighborhood information, or the weak expert has low model quality. We reveal interesting training dynamics by analyzing the influence of the confidence function on loss: our training algorithm encourages the specialization of each expert by effectively generating soft splitting of the graph. In addition, our "confidence" design imposes a desirable bias toward the strong expert to benefit from GNN's better generalization capability. Mowst is easy to optimize and achieves strong expressive power, with a computation cost comparable to a single GNN. Empirically, Mowst on 4 backbone GNN architectures show significant accuracy improvement on 6 standard node classification benchmarks, including both homophilous and heterophilous graphs (https://github.com/facebookresearch/mowst-gnn).

LoRA has gained widespread acceptance in the fine-tuning of large pre-trained models to cater to a diverse array of downstream tasks, showcasing notable effectiveness and efficiency, thereby solidifying its position as one of the most prevalent fine-tuning techniques. Due to the modular nature of LoRA's plug-and-play plugins, researchers have delved into the amalgamation of multiple LoRAs to empower models to excel across various downstream tasks. Nonetheless, extant approaches for LoRA fusion grapple with inherent challenges. Direct arithmetic merging may result in the loss of the original pre-trained model's generative capabilities or the distinct identity of LoRAs, thereby yielding suboptimal outcomes. On the other hand, Reference tuning-based fusion exhibits limitations concerning the requisite flexibility for the effective combination of multiple LoRAs. In response to these challenges, this paper introduces the Mixture of LoRA Experts (MoLE) approach, which harnesses hierarchical control and unfettered branch selection. The MoLE approach not only achieves superior LoRA fusion performance in comparison to direct arithmetic merging but also retains the crucial flexibility for combining LoRAs effectively. Extensive experimental evaluations conducted in both the Natural Language Processing (NLP) and Vision \& Language (V\&L) domains substantiate the efficacy of MoLE.

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g. modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) that models each class with multiple prototypes to capture the sample diversities, which learns more faithful and compact samples embeddings for enhanching OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. To learn embeddings with multiple prototypes, PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Compared to previous methods with prototypes, the proposed mixture prototype modeling of PALM promotes the representations of each ID class to be more compact and separable from others and the unseen OOD samples, resulting in more reliable OOD detection. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM over previous methods, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark.

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an ``expert'' through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

Class-incremental learning is becoming more popular as it helps models widen their applicability while not forgetting what they already know. A trend in this area is to use a mixture-of-expert technique, where different models work together to solve the task. However, the experts are usually trained all at once using whole task data, which makes them all prone to forgetting and increasing computational burden. To address this limitation, we introduce a novel approach named SEED. SEED selects only one, the most optimal expert for a considered task, and uses data from this task to fine-tune only this expert. For this purpose, each expert represents each class with a Gaussian distribution, and the optimal expert is selected based on the similarity of those distributions. Consequently, SEED increases diversity and heterogeneity within the experts while maintaining the high stability of this ensemble method. The extensive experiments demonstrate that SEED achieves state-of-the-art performance in exemplar-free settings across various scenarios, showing the potential of expert diversification through data in continual learning.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Recent studies have demonstrated Large Language Models (LLMs) can extend their zero-shot generalization capabilities to multimodal learning through instruction tuning. As more modalities and downstream tasks are introduced, negative conflicts and interference may have a worse impact on performance. While this phenomenon has been overlooked in previous work, we propose a novel and extensible framework, called Octavius, for comprehensive studies and experimentation on multimodal learning with Multimodal Large Language Models (MLLMs). Specifically, to mitigate the interference, we combine the concept of Mixture-of-Experts (MoE) with LoRA and design a multimodal LoRA-MoE decoder for task- and modality-specific learning. To the best of our knowledge, we are one of the pioneering efforts to introduce MoE into MLLMs to address this problem. The experimental results (about 20% improvement) have shown the effectiveness and versatility of our design in various 2D and 3D downstream tasks. Code and corresponding dataset will be available soon.

Sparse mixture of expert architectures (MoEs) scale model capacity without significant increases in training or inference costs. Despite their success, MoEs suffer from a number of issues: training instability, token dropping, inability to scale the number of experts, or ineffective finetuning. In this work, we propose Soft MoE, a fully-differentiable sparse Transformer that addresses these challenges, while maintaining the benefits of MoEs. Soft MoE performs an implicit soft assignment by passing different weighted combinations of all input tokens to each expert. As in other MoEs, experts in Soft MoE only process a subset of the (combined) tokens, enabling larger model capacity (and performance) at lower inference cost. In the context of visual recognition, Soft MoE greatly outperforms dense Transformers (ViTs) and popular MoEs (Tokens Choice and Experts Choice). Soft MoE scales well: Soft MoE Huge/14 with 128 experts in 16 MoE layers has over 40x more parameters than ViT Huge/14, with only 2% increased inference time, and substantially better quality.

Top-K sparse softmax gating mixture of experts has been widely used for scaling up massive deep-learning architectures without increasing the computational cost. Despite its popularity in real-world applications, the theoretical understanding of that gating function has remained an open problem. The main challenge comes from the structure of the top-K sparse softmax gating function, which partitions the input space into multiple regions with distinct behaviors. By focusing on a Gaussian mixture of experts, we establish theoretical results on the effects of the top-K sparse softmax gating function on both density and parameter estimations. Our results hinge upon defining novel loss functions among parameters to capture different behaviors of the input regions. When the true number of experts $k_{\ast}$ is known, we demonstrate that the convergence rates of density and parameter estimations are both parametric on the sample size. However, when $k_{\ast}$ becomes unknown and the true model is over-specified by a Gaussian mixture of $k$ experts where $k > k_{\ast}$, our findings suggest that the number of experts selected from the top-K sparse softmax gating function must exceed the total cardinality of a certain number of Voronoi cells associated with the true parameters to guarantee the convergence of the density estimation. Moreover, while the density estimation rate remains parametric under this setting, the parameter estimation rates become substantially slow due to an intrinsic interaction between the softmax gating and expert functions.

Sparsely activated Mixture-of-Experts (SMoE) has shown promise to scale up the learning capacity of neural networks, however, they have issues like: ($a$) $\textit{High Memory Usage,}$ due to duplication of the network layers into multiple copies as experts; and ($b$) $\textit{Redundancy in Experts,}$ as common learning-based routing policies suffer from representational collapse. Therefore, vanilla SMoE models are memory inefficient and non-scalable, especially for resource-constrained downstream scenarios. In this paper, we ask: Can we craft a compact SMoE model by consolidating expert information? What is the best recipe to merge multiple experts into fewer but more knowledgeable experts? Our pilot investigation reveals that conventional model merging methods fail to be effective in such expert merging for SMoE. The potential reasons are: ($1$) redundant information overshadows critical experts; ($2$) appropriate neuron permutation for each expert is missing to bring all of them in alignment. To address these challenges, we propose a novel merging algorithm for SMoE, $\textit{i.e.}$, $\texttt{M-SMoE}$, which leverages routing statistics to guide expert merging. Specifically, it starts with neuron permutation alignment for experts; then, dominant experts and their "group members" are formed based on routing policies; lastly, every expert group is merged into a single expert by utilizing each expert's activation frequency as their weight for merging, thus diminishing the impact of insignificant experts. Moreover, we draw an interesting observation that our proposed merging promotes a low dimensionality in the merged expert's weight space, naturally paving the way for additional compression. Hence, our final method, $\texttt{MC-SMoE}$ ($\textit{i.e.}$, Merge, then Compress SMoE), further decomposes the merged experts into low-rank and structural sparse alternatives. Extensive experiments across $8$ benchmarks validate the effectiveness of our proposals. For instance, our $\texttt{MC-SMoE}$ achieves up to $80\%$ memory and a $20\%$ FLOPs reduction, with virtually no loss in performance. Our code is provided as supplementary material.

Because diffusion models have shown impressive performances in a number of tasks, such as image synthesis, there is a trend in recent works to prove (with certain assumptions) that these models have strong approximation capabilities. In this paper, we show that current diffusion models actually have an expressive bottleneck in backward denoising and some assumption made by existing theoretical guarantees is too strong. Based on this finding, we prove that diffusion models have unbounded errors in both local and global denoising. In light of our theoretical studies, we introduce soft mixture denoising (SMD), an expressive and efficient model for backward denoising. SMD not only permits diffusion models to well approximate any Gaussian mixture distributions in theory, but also is simple and efficient for implementation. Our experiments on multiple image datasets show that SMD significantly improves different types of diffusion models (e.g., DDPM), espeically in the situation of few backward iterations.

Recent studies have shown that the regret of reinforcement learning (RL) can be polylogarithmic in the planning horizon $H$. However, it remains an open question whether such a result holds for adversarial RL. In this paper, we answer this question affirmatively by proposing the first horizon-free policy search algorithm. To tackle the challenges caused by exploration and adversarially chosen reward over episodes, our algorithm employs (1) a variance-uncertainty-aware weighted least square estimator for the transition kernel; and (2) an occupancy measure-based technique for the online search of a stochastic policy. We show that our algorithm achieves an $\tilde{O}\big((d+\log |\mathcal{S}|)\sqrt{K} + d^2\big)$ regret with full-information feedback, where $d$ is the dimension of a known feature mapping linearly parametrizing the unknown transition kernel of the MDP, $K$ is the number of episodes, $|\mathcal{S}|$ is the cardinality of the state space. We also provide hardness results to justify the near optimality of our algorithm and the inevitability of $\log|\mathcal{S}|$ in the regret bound.

Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.

Training AI models that generalize across tasks and domains has long been among the open problems driving AI research. The emergence of Foundation Models made it easier to obtain expert models for a given task, but the heterogeneity of data that may be encountered at test time often means that any single expert is insufficient. We consider the Fusion of Experts (FoE) problem of fusing outputs of expert models with complementary knowledge of the data distribution and formulate it as an instance of supervised learning. Our method is applicable to both discriminative and generative tasks and leads to significant performance improvements in image and text classification, text summarization, multiple-choice QA, and automatic evaluation of generated text. We also extend our method to the "frugal" setting where it is desired to reduce the number of expert model evaluations at test time. Our implementation is publicly available at https://github.com/hwang595/FoE-ICLR2024.

Accurate traffic forecasting is challenging due to the complex dependency on road networks, various types of roads, and the abrupt speed change due to the events. Recent works mainly focus on dynamic spatial modeling with adaptive graph embedding or graph attention having less consideration for temporal characteristics and in-situ modeling. In this paper, we propose a novel deep learning model named TESTAM, which individually models recurring and non-recurring traffic patterns by a mixture-of-experts model with three experts on temporal modeling, spatio-temporal modeling with static graph, and dynamic spatio-temporal dependency modeling with dynamic graph. By introducing different experts and properly routing them, TESTAM could better model various circumstances, including spatially isolated nodes, highly related nodes, and recurring and non-recurring events. For the proper routing, we reformulate a gating problem into a classification problem with pseudo labels. Experimental results on three public traffic network datasets, METR-LA, PEMS-BAY, and EXPY-TKY, demonstrate that TESTAM achieves a better indication and modeling of recurring and non-recurring traffic.

We rigorously study the joint evolution of training dynamics via stochastic gradient descent (SGD) and the spectra of empirical Hessian and gradient matrices. We prove that in two canonical classification tasks for multi-class high-dimensional mixtures and either 1 or 2-layer neural networks, the SGD trajectory rapidly aligns with emerging low-rank outlier eigenspaces of the Hessian and gradient matrices. Moreover, in multi-layer settings this alignment occurs per layer, with the final layer's outlier eigenspace evolving over the course of training, and exhibiting rank deficiency when the SGD converges to sub-optimal classifiers. This establishes some of the rich predictions that have arisen from extensive numerical studies in the last decade about the spectra of Hessian and information matrices over the course of training in overparametrized networks.

Large language models (LLMs) have emerged as powerful techniques for various NLP tasks, such as mathematical reasoning and plan generation. In this paper, we study automatic modeling and programming for complex operation research (OR) problems, so as to alleviate the heavy dependence on domain experts and benefit a spectrum of industry sectors. We present the first LLM-based solution, namely Chain-of-Experts (CoE), a novel multi-agent cooperative framework to enhance reasoning capabilities. Specifically, each agent is assigned a specific role and endowed with domain knowledge related to OR. We also introduce a conductor to orchestrate these agents via forward thought construction and backward reflection mechanism. Furthermore, we release a benchmark dataset (ComplexOR) of complex OR problems to facilitate OR research and community development. Experimental results show that CoE significantly outperforms the state-of-the-art LLM-based approaches both on LPWP and ComplexOR.