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Yichen Zhu, Zhicai Ou, Feifei Feng, Jian Tang

Humans can communicate and observe media with different modalities, such as texts, sounds, and images. For robots to be more generalizable embodied agents, they should be capable of following instructions and perceiving the world with adaptation to diverse modalities. Current robotic learning methodologies often focus on single-modal task specification and observation, thereby limiting their ability to process rich multi-modal information. Addressing this limitation, we present an end-to-end general-purpose multi-modal system named Any-to-Policy Embodied Agents. This system empowers robots to handle tasks using various modalities, whether in combinations like text-image, audio-image, text-point cloud, or in isolation. Our innovative approach involves training a versatile modality network that adapts to various inputs and connects with policy networks for effective control. Because of the lack of existing multi-modal robotics datasets for evaluation, we assembled a comprehensive real-world dataset encompassing 30 robotic tasks. Each task in this dataset is richly annotated across multiple modalities, providing a robust foundation for assessment. We conducted extensive validation of our proposed unified modality embodied agent using several simulation benchmarks, including Franka Kitchen, Meta-World, and Maniskill2, as well as in our real-world settings. Our experiments showcase the promising capability of building embodied agents that can adapt to diverse multi-modal in a unified framework.

Learning Theory

Nicholas Rittler, Kamalika Chaudhuri

Generative models at times produce "invalid" outputs, such as images with generation artifacts and unnatural sounds. Validity-constrained distribution learning attempts to address this problem by requiring that the learned distribution have a provably small fraction of its mass in invalid parts of space -- something which standard loss minimization does not always ensure. To this end, a learner in this model can guide the learning via "validity queries", which allow it to ascertain the validity of individual examples. Prior work on this problem takes a worst-case stance, showing that proper learning requires an exponential number of validity queries, and demonstrating an improper algorithm which -- while generating guarantees in a wide-range of settings -- makes a relatively large polynomial number of validity queries. In this work, we take a first step towards characterizing regimes where guaranteeing validity is easier than in the worst-case. We show that when the data distribution lies in the model class and the log-loss is minimized, the number samples required to ensure validity has a weak dependence on the validity requirement. Additionally, we show that when the validity region belongs to a VC-class, a limited number of validity queries are often sufficient.

Reinforcement Learning · Everything Else

Awni Altabaa, Zhuoran Yang

In sequential decision-making problems, the *information structure* describes the causal dependencies between system variables, encompassing the dynamics of the environment and the agents' actions. Classical models of reinforcement learning (e.g., MDPs, POMDPs) assume a restricted and highly regular information structure, while more general models like predictive state representations do not explicitly model the information structure. By contrast, real-world sequential decision-making problems typically involve a complex and time-varying interdependence of system variables, requiring a rich and flexible representation of information structure. In this paper, we formalize a novel reinforcement learning model which explicitly represents the information structure.We then use this model to carry out an information-structural analysis of the statistical complexity of general sequential decision-making problems, obtaining a characterization via a graph-theoretic quantity of the DAG representation of the information structure. We prove an upper bound on the sample complexity of learning a general sequential decision-making problem in terms of its information structure by exhibiting an algorithm achieving the upper bound. This recovers known tractability results and gives a novel perspective on reinforcement learning in general sequential decision-making problems, providing a systematic way of identifying new tractable classes of problems.

Shentong Mo, Yibing Song

Visual content and accompanied audio signals naturally formulate a joint representation to improve audio-visual (AV) related applications. While studies develop various AV representation learning frameworks, the importance of AV data alignment is usually undermined for achieving high-quality representation. We observe that an audio signal may contain background noise interference. Also, non-synchronization may appear between audio and video streams. These non-strict data alignment limits representation quality and downgrade application performance. In this paper, we propose to improve AV joint representations from a data-centric perspective by aligning audio signals to visual data. Our alignment is conducted in an agentic workflow controlled by an LLM-based assistant named AVAgent. For each input AV data pair, our AVAgent uses a multi-modal LLM to convert audio and visual data into language descriptions separately (i.e., tool use). Then, AVAgent reasons whether this paired data is aligned well and plans to edit the audio signal if needed (i.e., planning). The audio editing is executed by predefined actions that filter noise or augment data. Moreover, we use a VLM to evaluate how modified audio signals match the visual content and provide feedback to AVAgent (i.e., reflection). The tool use, planning, and reflection steps operate cyclically to become an agentic workflow where audio signals are gradually aligned to visual content. To this end, existing methods can directly leverage the aligned AV data via our agentic workflow to improve AV joint representations. The experimental results comprehensively demonstrate the state-of-the-art performance of the proposed approach against previous baselines in diverse downstream tasks.

Deep Learning · Representation Learning

PENG SUN, Yi Jiang, Tao Lin

Data, the seminal opportunity and challenge in modern machine learning, currently constrains the scalability of representation learning and impedes the pace of model evolution.In this work, we investigate the efficiency properties of data from both optimization and generalization perspectives.Our theoretical and empirical analysis reveals an unexpected finding: for a given task, utilizing a publicly available, task- and architecture-agnostic model (referred to as the `prior model' in this paper) can effectively produce efficient data.Building on this insight, we propose the Representation Learning Accelerator (ReLA), which promotes the formation and utilization of efficient data, thereby accelerating representation learning.Utilizing a ResNet-18 pre-trained on CIFAR-10 as a prior model to inform ResNet-50 training on ImageNet-1K reduces computational costs by $50\%$ while maintaining the same accuracy as the model trained with the original BYOL, which requires $100\%$ cost.Our code is available at: \url{https://github.com/LINs-lab/ReLA}.

Reinforcement Learning · Deep RL

Robby Costales, Stefanos Nikolaidis

The wider application of end-to-end learning methods to embodied decision-making domains remains bottlenecked by their reliance on a superabundance of training data representative of the target domain.Meta-reinforcement learning (meta-RL) approaches abandon the aim of zero-shot *generalization*—the goal of standard reinforcement learning (RL)—in favor of few-shot *adaptation*, and thus hold promise for bridging larger generalization gaps.While learning this meta-level adaptive behavior still requires substantial data, efficient environment simulators approaching real-world complexity are growing in prevalence.Even so, hand-designing sufficiently diverse and numerous simulated training tasks for these complex domains is prohibitively labor-intensive.Domain randomization (DR) and procedural generation (PG), offered as solutions to this problem, require simulators to possess carefully-defined parameters which directly translate to meaningful task diversity—a similarly prohibitive assumption.In this work, we present **DIVA**, an evolutionary approach for generating diverse training tasks in such complex, open-ended simulators.Like unsupervised environment design (UED) methods, DIVA can be applied to arbitrary parameterizations, but can additionally incorporate realistically-available domain knowledge—thus inheriting the *flexibility* and *generality* of UED, and the supervised *structure* embedded in well-designed simulators exploited by DR and PG.Our empirical results showcase DIVA's unique ability to overcome complex parameterizations and successfully train adaptive agent behavior, far outperforming competitive baselines from prior literature.These findings highlight the potential of such *semi-supervised environment design* (SSED) approaches, of which DIVA is the first humble constituent, to enable training in realistic simulated domains, and produce more robust and capable adaptive agents.Our code is available at [https://github.com/robbycostales/diva](https://github.com/robbycostales/diva).

Weihan Wang, Qingsong Lv, Wenmeng Yu, Wenyi Hong, Ji Qi, Yan Wang, Junhui Ji, Zhuoyi Yang, Lei Zhao, Song XiXuan 等

We introduce CogVLM, a powerful open-source visual language foundation model. Different from the popular \emph{shallow alignment} method which maps image features into the input space of language model, CogVLM bridges the gap between the frozen pretrained language model and image encoder by a trainable visual expert module in the attention and FFN layers. As a result, CogVLM enables a deep fusion of vision language features without sacrificing any performance on NLP tasks. CogVLM-17B achieves state-of-the-art performance on 17 classic cross-modal benchmarks, including 1) image captioning datasets: NoCaps, Flicker30k, 2) VQA datasets: OKVQA, TextVQA, OCRVQA, ScienceQA, 3) LVLM benchmarks: MM-Vet, MMBench, SEED-Bench, LLaVABench, POPE, MMMU, MathVista, 4) visual grounding datasets: RefCOCO, RefCOCO+, RefCOCOg, Visual7W. Codes and checkpoints are available at Github.

Generative Models · Reasoning

Sadegh Mahdavi, Raquel Aoki, Keyi Tang, Yanshuai Cao

Large Language Models (LLMs) have shown remarkable performance in various natural language tasks, but they often struggle with planning problems that require structured reasoning. To address this limitation, the conversion of planning problems into the Planning Domain Definition Language (PDDL) has been proposed as a potential solution, enabling the use of automated planners. However, generating accurate PDDL files typically demands human inputs or correction, which can be time-consuming and costly. In this paper, we propose a novel approach that leverages LLMs and environment feedback to automatically generate PDDL domain and problem description files without the need for human intervention. Our method introduces an iterative refinement process that generates multiple problem PDDL candidates and progressively refines the domain PDDL based on feedback obtained from interacting with the environment. To guide the refinement process, we develop an Exploration Walk (EW) metric, which provides rich feedback signals for LLMs to update the PDDL file. We evaluate our approach on $10$ PDDL environments. We achieve an average task solve rate of 66\% compared to a 29\% solve rate by GPT-4's intrinsic planning with chain-of-thought prompting. Our work enables the automated modeling of planning environments using LLMs and environment feedback, eliminating the need for human intervention in the PDDL translation process and paving the way for more reliable LLM agents in challenging problems. Our code is available at https://github.com/BorealisAI/llm-pddl-planning

Shengjie Luo, Yixian Xu, Di He, Shuxin Zheng, Tie-Yan Liu, Liwei Wang

The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in terms of environmental constraints and computational demands, while current deep learning approaches still fall short in terms of precision and generality. In this work, we introduce the Geometric Diffusion Bridge (GDB), a novel generative modeling framework that accurately bridges initial and target geometric states. GDB leverages a probabilistic approach to evolve geometric state distributions, employing an equivariant diffusion bridge derived by a modified version of Doob's $h$-transform for connecting geometric states. This tailored diffusion process is anchored by initial and target geometric states as fixed endpoints and governed by equivariant transition kernels. Moreover, trajectory data can be seamlessly leveraged in our GDB framework by using a chain of equivariant diffusion bridges, providing a more detailed and accurate characterization of evolution dynamics. Theoretically, we conduct a thorough examination to confirm our framework's ability to preserve joint distributions of geometric states and capability to completely model the underlying dynamics inducing trajectory distributions with negligible error. Experimental evaluations across various real-world scenarios show that GDB surpasses existing state-of-the-art approaches, opening up a new pathway for accurately bridging geometric states and tackling crucial scientific challenges with improved accuracy and applicability.

Xiang Yue, Tianyu Zheng, Ge Zhang, Wenhu Chen

Instruction tuning improves the reasoning abilities of large language models (LLMs), with data quality and scalability being the crucial factors. Most instruction tuning data come from human crowd-sourcing or GPT-4 distillation. We propose a paradigm to efficiently harvest 10 million naturally existing instruction data from the pre-training web corpus to enhance LLM reasoning. Our approach involves (1) recalling relevant documents, (2) extracting instruction-response pairs, and (3) refining the extracted pairs using open-source LLMs. Fine-tuning base LLMs on this dataset, we build MAmmoTH2 models, which significantly boost performance on reasoning benchmarks. Notably, MAmmoTH2-7B’s (Mistral) performance increases from 11% to 36.7% on MATH and from 36% to 68.4% on GSM8K without training on any in-domain data. Further training MAmmoTH2 on public instruction tuning datasets yields MAmmoTH2-Plus, achieving state-of-the-art performance on several reasoning and chatbot benchmarks. Our work demonstrates how to harvest large-scale, high-quality instruction data without costly human annotation or GPT-4 distillation, providing a new paradigm for building better instruction tuning data.

Shaoqi Wang, Chunjie Yang, Siwei Lou

Neural networks (NN) are extensively studied in cutting-edge soft sensor models due to their feature extraction and function approximation capabilities. Current research into network-based methods primarily focuses on models' offline accuracy. Notably, in industrial soft sensor context, online optimizing stability and interpretability are prioritized, followed by accuracy. This requires a clearer understanding of network's training process. To bridge this gap, we propose a novel NN named the Approximated Orthogonal Projection Unit (AOPU) which has solid mathematical basis and presents superior training stability. AOPU truncates the gradient backpropagation at dual parameters, optimizes the trackable parameters updates, and enhances the robustness of training. We further prove that AOPU attains minimum variance estimation in NN, wherein the truncated gradient approximates the natural gradient. Empirical results on two chemical process datasets clearly show that AOPU outperforms other models in achieving stable convergence, marking a significant advancement in soft sensor field.

Nived Rajaraman, Jiantao Jiao, Kannan Ramchandran

While there has been a large body of research attempting to circumvent tokenization for language modeling (Clark et al. 2022, Xue et al. 2022), the current consensus is that it is a necessary initial step for designing state-of-the-art performant language models. In this paper, we investigate tokenization from a theoretical point of view by studying the behavior of transformers on simple data generating processes. When trained on data drawn from certain simple $k^{\text{th}}$-order Markov processes for $k > 1$, transformers exhibit a surprising phenomenon - in the absence of tokenization, they empirically are incredibly slow or fail to learn the right distribution and predict characters according to a unigram model (Makkuva et al. 2024). With the addition of tokenization, however, we empirically observe that transformers break through this barrier and are able to model the probabilities of sequences drawn from the source near-optimally, achieving small cross-entropy loss. With this observation as starting point, we study the end-to-end cross-entropy loss achieved by transformers with and without tokenization. With the appropriate tokenization, we show that even the simplest unigram models (over tokens) learnt by transformers are able to model the probability of sequences drawn from $k^{\text{th}}$-order Markov sources near optimally. Our analysis provides a justification for the use of tokenization in practice through studying the behavior of transformers on Markovian data.

Generative Models · Diffusion models

Gongfan Fang, Xinyin Ma, Xinchao Wang

Transformer-based diffusion models have achieved significant advancements across a variety of generative tasks. However, producing high-quality outputs typically necessitates large transformer models, which result in substantial training and inference overhead. In this work, we investigate an alternative approach involving multiple experts for denoising, and introduce RemixDiT, a novel method designed to enhance output quality at a low cost. The goal of RemixDiT is to craft N diffusion experts for different denoising timesteps, yet without the need for expensive training of N independent models. To achieve this, RemixDiT employs K basis models (where K < N) and utilizes learnable mixing coefficients to adaptively craft expert models. This design offers two significant advantages: first, although the total model size is increased, the model produced by the mixing operation shares the same architecture as a plain model, making the overall model as efficient as a standard diffusion transformer. Second, the learnable mixing adaptively allocates model capacity across timesteps, thereby effectively improving generation quality. Experiments conducted on the ImageNet dataset demonstrate that RemixDiT achieves promising results compared to standard diffusion transformers and other multiple-expert methods.

Optimization · Non-Convex

Kwangjun Ahn, Ashok Cutkosky

In this work, we offer a theoretical analysis of two modern optimization techniques for training large and complex models: (i) adaptive optimization algorithms, such as Adam, and (ii) the model exponential moving average (EMA). Specifically, we demonstrate that a clipped version of Adam with model EMA achieves the optimal convergence rates in various nonconvex optimization settings, both smooth and nonsmooth. Moreover, when the scale varies significantly across different coordinates, we demonstrate that the coordinate-wise adaptivity of Adam is provably advantageous. Notably, unlike previous analyses of Adam, our analysis crucially relies on its core elements---momentum and discounting factors---as well as model EMA, motivating their wide applications in practice.

Ruiqi Zhong, Heng Wang, Dan Klein, Jacob Steinhardt

To make sense of massive data, we often first fit simplified models and then interpret the parameters; for example, we cluster the text embeddings and then interpret the mean parameters of each cluster.However, these parameters are often high-dimensional and hard to interpret.To make model parameters directly interpretable, we introduce a family of statistical models---including clustering, time series, and classification models---parameterized by *natural language predicates*. For example, a cluster of text about COVID could be parameterized by the predicate ``*discusses COVID*''.To learn these statistical models effectively, we develop a model-agnostic algorithm that optimizes continuous relaxations of predicate parameters with gradient descent and discretizes them by prompting language models (LMs).Finally, we apply our framework to a wide range of problems: taxonomizing user chat dialogues, characterizing how they evolve across time, finding categories where one language model is better than the other, clustering math problems based on subareas, and explaining visual features in memorable images.Our framework is highly versatile, applicable to both textual and visual domains, can be easily steered to focus on specific properties (e.g. subareas), and explains sophisticated concepts that classical methods (e.g. n-gram analysis) struggle to produce.

Generative Models

Gavin Kerrigan, Giosue Migliorini, Padhraic Smyth

We study the geometry of conditional optimal transport (COT) and prove a dynamic formulation which generalizes the Benamou-Brenier Theorem. Equipped with these tools, we propose a simulation-free flow-based method for conditional generative modeling. Our method couples an arbitrary source distribution to a specified target distribution through a triangular COT plan, and a conditional generative model is obtained by approximating the geodesic path of measures induced by this COT plan. Our theory and methods are applicable in infinite-dimensional settings, making them well suited for a wide class of Bayesian inverse problems. Empirically, we demonstrate that our method is competitive on several challenging conditional generation tasks, including an infinite-dimensional inverse problem.

Optimization · Zero-order and Black-box Optimization

Natalie Maus, Kyurae Kim, David Eriksson, Geoff Pleiss, John Cunningham, Jacob Gardner

High-dimensional Bayesian optimization (BO) tasks such as molecular design often require $>10,$$000$ function evaluations before obtaining meaningful results. While methods like sparse variational Gaussian processes (SVGPs) reduce computational requirements in these settings, the underlying approximations result in suboptimal data acquisitions that slow the progress of optimization. In this paper we modify SVGPs to better align with the goals of BO: targeting informed data acquisition over global posterior fidelity. Using the framework of utility-calibrated variational inference (Lacoste–Julien et al., 2011), we unify GP approximation and data acquisition into a joint optimization problem, thereby ensuring optimal decisions under a limited computational budget. Our approach can be used with any decision-theoretic acquisition function and is readily compatible with trust region methods like TuRBO (Eriksson et al., 2019). We derive efficient joint objectives for the expected improvement (EI) and knowledge gradient (KG) acquisition functions in both the standard and batch BO settings. On a variety of recent high dimensional benchmark tasks in control and molecular design, our approach significantly outperforms standard SVGPs and is capable of achieving comparable rewards with up to $10\times$ fewer function evaluations.

Soufiane Hayou, Nikhil Ghosh, Bin Yu

In this paper, we study the role of initialization in Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021). Essentially, to start from the pretrained model, one can either initialize $B$ to zero and $A$ to random, or vice-versa. In both cases, the product $BA$ is equal to zero at initialization, which makes finetuning starts from the pretrained model. These two initialization schemes are seemingly similar. They should in-principle yield the same performance and share the same optimal learning rate. We demonstrate that this is an *incorrect intuition* and that the first scheme (of initializing $B$ to zero and $A$ to random) on average in our experiments yields better performance compared to the other scheme. Our theoretical analysis shows that the reason behind this might be that the first initialization allows the use of larger learning rates (without causing output instability) compared to the second initialization, resulting in more efficient learning of the first scheme. We validate our results with extensive experiments on LLMs.

Deep Learning · Theory

Lorenzo Noci, Alexandru Meterez, Thomas Hofmann, Antonio Orvieto

Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit ($\mu$P and its depth extension), then some hyperparameters --- such as the learning rate --- exhibit transfer from small to very large models. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is consistently similar across very different model sizes. In this work, we study the landscape through the lens of the Hessian, with a focus on its largest eigenvalue (i.e. the sharpness), and find that certain spectral properties under $\mu$P are largely independent of the width and depth of the network along the training trajectory. We name this property *super consistency* of the landscape. On the other hand, we show that in the Neural Tangent Kernel (NTK) and other scaling regimes, the sharpness exhibits very different dynamics at different scales. But what causes these differences in the sharpness dynamics? Through a connection between the Hessian's and the NTK's spectrum, we argue that the cause lies in the presence (for $\mu$P) or progressive absence (for the NTK scaling) of feature learning.We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText.

Computer Vision

Mengyuan Chen, Junyu Gao, Changsheng Xu

A straightforward pipeline for zero-shot out-of-distribution (OOD) detection involves selecting potential OOD labels from an extensive semantic pool and then leveraging a pre-trained vision-language model to perform classification on both in-distribution (ID) and OOD labels. In this paper, we theorize that enhancing performance requires expanding the semantic pool, while increasing the expected probability of selected OOD labels being activated by OOD samples, and ensuring low mutual dependence among the activations of these OOD labels. A natural expansion manner is to adopt a larger lexicon; however, the inevitable introduction of numerous synonyms and uncommon words fails to meet the above requirements, indicating that viable expansion manners move beyond merely selecting words from a lexicon. Since OOD detection aims to correctly classify input images into ID/OOD class groups, we can "make up" OOD label candidates which are not standard class names but beneficial for the process. Observing that the original semantic pool is comprised of unmodified specific class names, we correspondingly construct a conjugated semantic pool (CSP) consisting of modified superclass names, each serving as a cluster center for samples sharing similar properties across different categories. Consistent with our established theory, expanding OOD label candidates with the CSP satisfies the requirements and outperforms existing works by 7.89% in FPR95. Codes are available in https://github.com/MengyuanChen21/NeurIPS2024-CSP.