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Applications · Physics

Dongsung Huh

Discovering group structures within data poses a fundamental challenge across diverse scientific domains. A key obstacle is the non-differentiable nature of group axioms, hindering their integration into deep learning frameworks. To address this, we introduce a novel differentiable approach leveraging the representation theory of finite groups. Our method features a unique network architecture that models interactions between group elements via matrix multiplication of their representations, along with a regularizer promoting the unitarity of these representations. The interplay between the network architecture and the unitarity condition implicitly encourages the emergence of valid group structures. Evaluations demonstrate our method's ability to accurately recover group operations and their unitary representations from partial observations, achieving significant improvements in sample efficiency and a $\times 1000$ speedup over the state of the art. This work lays the foundation for a promising new paradigm in automated algebraic structure discovery, with potential applications across various domains, including automatic symmetry discovery for geometric deep learning.

Reinforcement Learning · Planning

Jiajun Chai, Sicheng Li, Yuqian Fu, Dongbin Zhao, Yuanheng Zhu

Large language models (LLMs) are trained on extensive text data to gain general comprehension capability. Current LLM agents leverage this ability to make zero- or few-shot decisions without reinforcement learning (RL) but fail in making optimal decisions, as LLMs inherently perform next-token prediction rather than maximizing rewards. In contrast, agents trained via RL could make optimal decisions but require extensive environmental interaction. In this work, we develop an algorithm that combines the zero-shot capabilities of LLMs with the optimal decision-making of RL, referred to as the Model-based LLM Agent with Q-Learning (MLAQ). MLAQ employs Q-learning to derive optimal policies from transitions within memory. However, unlike RL agents that collect data from environmental interactions, MLAQ constructs an imagination space fully based on LLM to perform imaginary interactions for deriving zero-shot policies. Our proposed UCB variant generates high-quality imaginary data through interactions with the LLM-based world model, balancing exploration and exploitation while ensuring a sub-linear regret bound. Additionally, MLAQ incorporates a mixed-examination mechanism to filter out incorrect data. We evaluate MLAQ in benchmarks that present significant challenges for existing LLM agents. Results show that MLAQ achieves a optimal rate of over 90\% in tasks where other methods struggle to succeed. Additional experiments are conducted to reach the conclusion that introducing model-based RL into LLM agents shows significant potential to improve optimal decision-making ability. Our interactive website is available at http://mlaq.site.

Deep Learning · Other Representation Learning

Can Pouliquen, Mathurin Massias, Titouan Vayer

Estimating matrices in the symmetric positive-definite (SPD) cone is of interest for many applications ranging from computer vision to graph learning. While there exist various convex optimization-based estimators, they remain limited in expressivity due to their model-based approach. The success of deep learning motivates the use of learning-based approaches to estimate SPD matrices with neural networks in a data-driven fashion. However, designing effective neural architectures for SPD learning is challenging, particularly when the task requiresadditional structural constraints, such as element-wise sparsity. Current approaches either do not ensure that the output meets all desired properties or lack expressivity. In this paper, we introduce SpodNet, a novel and generic learning module that guarantees SPD outputs and supports additional structural constraints. Notably, it solves the challenging task of learning jointly SPD andsparse matrices. Our experiments illustrate the versatility and relevance of SpodNet layers for such applications.

Deep Learning · Generative Models and Autoencoders

Yangming Li, Max Ruiz Luyten, Mihaela van der Schaar

Diffusion models are mainly studied on image data. However, non-image data (e.g., tabular data) are also prevalent in real applications and tend to be noisy due to some inevitable factors in the stage of data collection, degrading the generation quality of diffusion models. In this paper, we consider a novel problem setting where every collected sample is paired with a vector indicating the data quality: risk vector. This setting applies to many scenarios involving noisy data and we propose risk-sensitive SDE, a type of stochastic differential equation (SDE) parameterized by the risk vector, to address it. With some proper coefficients, risk-sensitive SDE can minimize the negative effect of noisy samples on the optimization of diffusion models. We conduct systematic studies for both Gaussian and non-Gaussian noise distributions, providing analytical forms of risk-sensitive SDE. To verify the effectiveness of our method, we have conducted extensive experiments on multiple tabular and time-series datasets, showing that risk-sensitive SDE permits a robust optimization of diffusion models with noisy samples and significantly outperforms previous baselines.

Theory · Game Theory

Runyu Lu, Yuanheng Zhu, Dongbin Zhao

This paper presents Divergence-Regularized Discounted Aggregation (DRDA), a multi-round learning system for solving partially observable stochastic games (POSGs). DRDA is based on action values and applicable to multiplayer POSGs, which can unify normal-form games (NFGs), extensive-form games (EFGs) with perfect recall, and Markov games (MGs). In each single round, DRDA can be viewed as a discounted variant of Follow the Regularized Leader (FTRL) under a general value function for POSGs. While previous studies on discounted FTRL have demonstrated its last-iterate convergence towards quantal response equilibrium (QRE) in NFGs, this paper extends the theoretical results to POSGs under divergence regularization and generalizes the QRE concept of Nash distribution. The linear last-iterate convergence of single-round DRDA to its rest point is proved under the assumption on the hypomonotonicity of the game. When the rest point is unique, it induces the unique Nash distribution defined in the POSG, which has a bounded deviation from Nash equilibrium (NE). Under multiple learning rounds, DRDA keeps replacing the base policy for divergence regularization with the policy at the rest point in the previous round. It is further proved that the limit point of multi-round DRDA must be an exact NE (rather than a QRE). In experiments, discrete-time DRDA can converge to NE at a near-exponential rate in (multiplayer) NFGs and outperform the existing baselines for EFGs, MGs, and typical POSGs.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Katarzyna Kobalczyk, Mihaela van der Schaar

A significant challenge in machine learning, particularly in noisy and low-data environments, lies in effectively incorporating inductive biases to enhance data efficiency and robustness. Despite the success of informed machine learning methods, designing algorithms with explicit inductive biases remains largely a manual process. In this work, we explore how prior knowledge represented in its native formats, e.g. in natural language, can be integrated into machine learning models in an automated manner. Inspired by the learning to learn principles of meta-learning, we consider the approach of learning to integrate knowledge via conditional meta-learning, a paradigm we refer to as informed meta-learning. We introduce and motivate theoretically the principles of informed meta-learning enabling automated and controllable inductive bias selection. To illustrate our claims, we implement an instantiation of informed meta-learning--the Informed Neural Process, and empirically demonstrate the potential benefits and limitations of informed meta-learning in improving data efficiency and generalisation.

Reinforcement Learning · Planning

Po-Wei Huang, Pei-Chiun Peng, Hung Guei, Ti-Rong Wu

Planning with options -- a sequence of primitive actions -- has been shown effective in reinforcement learning within complex environments. Previous studies have focused on planning with predefined options or learned options through expert demonstration data.Inspired by MuZero, which learns superhuman heuristics without any human knowledge, we propose a novel approach, named *OptionZero*. OptionZero incorporates an *option network* into MuZero, providing autonomous discovery of options through self-play games. Furthermore, we modify the dynamics network to provide environment transitions when using options, allowing searching deeper under the same simulation constraints. Empirical experiments conducted in 26 Atari games demonstrate that OptionZero outperforms MuZero, achieving a 131.58% improvement in mean human-normalized score. Our behavior analysis shows that OptionZero not only learns options but also acquires strategic skills tailored to different game characteristics. Our findings show promising directions for discovering and using options in planning. Our code is available at https://rlg.iis.sinica.edu.tw/papers/optionzero.

Applications · Robotics

JUNRU SONG, Yang Yang, Huan Xiao, Wei Peng, Wen Yao, Feifei Wang

Recent advances in Large Language Models (LLMs) have stimulated a significant paradigm shift in evolutionary optimization, where hand-crafted search heuristics are gradually replaced with LLMs serving as intelligent search operators. However, these studies still bear some notable limitations, including a challenge to balance exploitation with exploration, often leading to inferior solution diversity, as well as poor generalizability of problem solving across different task settings. These unsolved issues render the prowess of LLMs in robot design automation largely untapped. In this work, we present LASeR -- Large Language Model-Aided Evolutionary Search for Robot Design Automation. Leveraging a novel reflection mechanism termed DiRect, we elicit more knowledgeable exploratory behaviors from LLMs based on past search trajectories, reshaping the exploration-exploitation tradeoff with dual improvements in optimization efficiency and solution diversity. Additionally, with evolution fully grounded in task-related background information, we unprecedentedly uncover the inter-task reasoning capabilities of LLMs, facilitating generalizable design processes that effectively inspire zero-shot robot proposals for new applications. Our simulated experiments on voxel-based soft robots showcase distinct advantages of LASeR over competitive baselines. Code at https://github.com/WoodySJR/LASeR.

Reinforcement Learning · Planning

Po-Wei Huang, Pei-Chiun Peng, Hung Guei, Ti-Rong Wu

Planning with options -- a sequence of primitive actions -- has been shown effective in reinforcement learning within complex environments. Previous studies have focused on planning with predefined options or learned options through expert demonstration data.Inspired by MuZero, which learns superhuman heuristics without any human knowledge, we propose a novel approach, named *OptionZero*. OptionZero incorporates an *option network* into MuZero, providing autonomous discovery of options through self-play games. Furthermore, we modify the dynamics network to provide environment transitions when using options, allowing searching deeper under the same simulation constraints. Empirical experiments conducted in 26 Atari games demonstrate that OptionZero outperforms MuZero, achieving a 131.58% improvement in mean human-normalized score. Our behavior analysis shows that OptionZero not only learns options but also acquires strategic skills tailored to different game characteristics. Our findings show promising directions for discovering and using options in planning. Our code is available at https://rlg.iis.sinica.edu.tw/papers/optionzero.

Applications · Everything Else

Chun Jung Chen, Chung-Chin Shih, Ti-Rong Wu

Strength estimation and adjustment are crucial in designing human-AI interactions, particularly in games where AI surpasses human players. This paper introduces a novel strength system, including a *strength estimator* (SE) and an SE-based Monte Carlo tree search, denoted as *SE-MCTS*, which predicts strengths from games and offers different playing strengths with human styles. The strength estimator calculates strength scores and predicts ranks from games without direct human interaction. SE-MCTS utilizes the strength scores in a Monte Carlo tree search to adjust playing strength and style. We first conduct experiments in Go, a challenging board game with a wide range of ranks. Our strength estimator significantly achieves over 80% accuracy in predicting ranks by observing 15 games only, whereas the previous method reached 49% accuracy for 100 games. For strength adjustment, SE-MCTS successfully adjusts to designated ranks while achieving a 51.33% accuracy in aligning to human actions, outperforming a previous state-of-the-art, with only 42.56% accuracy. To demonstrate the generality of our strength system, we further apply SE and SE-MCTS to chess and obtain consistent results. These results show a promising approach to strength estimation and adjustment, enhancing human-AI interactions in games. Our code is available at https://rlg.iis.sinica.edu.tw/papers/strength-estimator.

Shilin Xu, Haobo Yuan, Qingyu Shi, Lu Qi, Jingbo Wang, Yibo Yang, Yining Li, Kai Chen, Yunhai Tong, Bernard Ghanem 等

Recent segmentation methods, which adopt large-scale data training and transformer architecture, aim to create one foundation model that can perform multiple tasks. However, most of these methods rely on heavy encoder and decoder frameworks, hindering their performance in real-time scenarios. To explore real-time segmentation, recent advancements primarily focus on semantic segmentation within specific environments, such as autonomous driving. However, they often overlook the generalization ability of these models across diverse scenarios. Therefore, to fill this gap, this work explores a novel real-time segmentation setting called real-time multi-purpose segmentation. It contains three fundamental sub-tasks: interactive segmentation, panoptic segmentation, and video instance segmentation. Unlike previous methods, which use a specific design for each task, we aim to use only a single end-to-end model to accomplish all these tasks in real-time. To meet real-time requirements and balance multi-task learning, we present a novel dynamic convolution-based method, Real-Time Multi-Purpose SAM (RMP-SAM). It contains an efficient encoder and an efficient decoupled adapter to perform prompt-driven decoding. Moreover, we further explore different training strategies and one new adapter design to boost co-training performance further. We benchmark several strong baselines by extending existing works to support our multi-purpose segmentation. Extensive experiments demonstrate that RMP-SAM is effective and generalizes well on proposed benchmarks and other specific semantic tasks. Our implementation of RMP-SAM achieves the optimal balance between accuracy and speed for these tasks. Code and model will be available to the comunity.

Shilin Xu, Haobo Yuan, Qingyu Shi, Lu Qi, Jingbo Wang, Yibo Yang, Yining Li, Kai Chen, Yunhai Tong, Bernard Ghanem 等

Recent segmentation methods, which adopt large-scale data training and transformer architecture, aim to create one foundation model that can perform multiple tasks. However, most of these methods rely on heavy encoder and decoder frameworks, hindering their performance in real-time scenarios. To explore real-time segmentation, recent advancements primarily focus on semantic segmentation within specific environments, such as autonomous driving. However, they often overlook the generalization ability of these models across diverse scenarios. Therefore, to fill this gap, this work explores a novel real-time segmentation setting called real-time multi-purpose segmentation. It contains three fundamental sub-tasks: interactive segmentation, panoptic segmentation, and video instance segmentation. Unlike previous methods, which use a specific design for each task, we aim to use only a single end-to-end model to accomplish all these tasks in real-time. To meet real-time requirements and balance multi-task learning, we present a novel dynamic convolution-based method, Real-Time Multi-Purpose SAM (RMP-SAM). It contains an efficient encoder and an efficient decoupled adapter to perform prompt-driven decoding. Moreover, we further explore different training strategies and one new adapter design to boost co-training performance further. We benchmark several strong baselines by extending existing works to support our multi-purpose segmentation. Extensive experiments demonstrate that RMP-SAM is effective and generalizes well on proposed benchmarks and other specific semantic tasks. Our implementation of RMP-SAM achieves the optimal balance between accuracy and speed for these tasks. The code is released at \url{https://github.com/xushilin1/RAP-SAM}

Applications · Computer Vision

Peiran Xu, Yadong MU

In this work, we focus on the task of weakly supervised affordance grounding, where a model is trained to identify affordance regions on objects using human-object interaction images and egocentric object images without dense labels. Previous works are mostly built upon class activation maps, which are effective for semantic segmentation but may not be suitable for locating actions and functions. Leveraging recent advanced foundation models, we develop a supervised training pipeline based on pseudo labels. The pseudo labels are generated from an off-the-shelf part segmentation model, guided by a mapping from affordance to part names.Furthermore, we introduce three key enhancements to the baseline model: a label refining stage, a fine-grained feature alignment process, and a lightweight reasoning module. These techniques harness the semantic knowledge of static objects embedded in off-the-shelf foundation models to improve affordance learning, effectively bridging the gap between objects and actions.Extensive experiments demonstrate that the performance of the proposed model has achieved a breakthrough improvement over existing methods.

Feng Li, Renrui Zhang, Hao Zhang, Yuanhan Zhang, Bo Li, Wei Li, Zejun MA, Chunyuan Li

Visual instruction tuning has made considerable strides in enhancing the capabilities of Large Multimodal Models (LMMs). However, existing open LMMs largely focus on single-image tasks, their applications to multi-image scenarios remains less explored. Additionally, prior LMM research separately tackles different scenarios, leaving it impossible to generalize cross scenarios with newemerging capabilities. To this end, we introduce LLaVA-Interleave, which simultaneously tackles Multi-image, Multi-frame (video), Multi-view (3D), and Multi-patch (single-image) scenarios in LMMs. To enable these capabilities, we regard the interleaved data format as a general template and compile the M4-Instruct dataset with 1,177.6k samples, spanning 4 primary domains with 14tasks and 41 datasets. We also curate the LLaVA-Interleave Bench to comprehensively evaluate the multi-image performance of LMMs. Through extensiveexperiments, LLaVA-Interleave achieves leading results in multi-image, video,and 3D benchmarks, while maintaining the performance of single-image tasks.Besides, our model also exhibits several emerging capabilities, e.g., transferring tasks across different settings and modalities.

Deep Learning · Other Representation Learning

Thomas Stegmüller, Tim Lebailly, Nikola Đukić, Behzad Bozorgtabar, Tinne Tuytelaars, Jean-Philippe Thiran

Zero-shot classification capabilities naturally arise in models trained within a vision-language contrastive framework. Despite their classification prowess, these models struggle in dense tasks like zero-shot open-vocabulary segmentation. This deficiency is often attributed to the absence of localization cues in captions and the intertwined nature of the learning process, which encompasses both image/text representation learning and cross-modality alignment. To tackle these issues, we propose SimZSS, a $\textbf{Sim}$ple framework for open-vocabulary $\textbf{Z}$ero-$\textbf{S}$hot $\textbf{S}$egmentation. The method is founded on two key principles: i) leveraging frozen vision-only models that exhibit spatial awareness while exclusively aligning the text encoder and ii) exploiting the discrete nature of text and linguistic knowledge to pinpoint local concepts within captions. By capitalizing on the quality of the visual representations, our method requires only image-caption pair datasets and adapts to both small curated and large-scale noisy datasets. When trained on COCO Captions across 8 GPUs, SimZSS achieves state-of-the-art results on 7 out of 8 benchmark datasets in less than 15 minutes. Our code and pretrained models are publicly available at https://github.com/tileb1/simzss.

Deep Learning · Self-Supervised Learning

Nikola Đukić, Tim Lebailly, Tinne Tuytelaars

Object-centric representation learning has recently been successfully applied to real-world datasets. This success can be attributed to pretrained non-object-centric foundation models, whose features serve as reconstruction targets for slot attention. However, targets must remain frozen throughout the training, which sets an upper bound on the performance object-centric models can attain. Attempts to update the target encoder by bootstrapping result in large performance drops, which can be attributed to its lack of object-centric inductive biases, causing the object-centric model’s encoder to drift away from representations useful as reconstruction targets. To address these limitations, we propose **O**bject-**CE**ntric Pretraining by Target Encoder **BO**otstrapping, a self-distillation setup for training object-centric models from scratch, on real-world data, for the first time ever. In OCEBO, the target encoder is updated as an exponential moving average of the object-centric model, thus explicitly being enriched with object-centric inductive biases introduced by slot attention while removing the upper bound on performance present in other models. We mitigate the slot collapse caused by random initialization of the target encoder by introducing a novel cross-view patch filtering approach that limits the supervision to sufficiently informative patches. When pretrained on 241k images from COCO, OCEBO achieves unsupervised object discovery performance comparable to that of object-centric models with frozen non-object-centric target encoders pretrained on hundreds of millions of images. The code and pretrained models are publicly available at https://github.com/djukicn/ocebo.

Stanley Wei, Sadhika Malladi, Sanjeev Arora, Amartya Sanyal

Machine unlearning algorithms are increasingly important as legal concerns arise around the provenance of training data, but verifying the success of unlearning is often difficult. Provable guarantees for unlearning are often limited to supervised learning settings. In this paper, we provide the first theoretical guarantees for unlearning in the pre-training and fine-tuning paradigm by studying topic models, simple bag-of-words language models that can be adapted to solve downstream tasks like retrieval and classification. First, we design a provably effective unlearning algorithm for topic models that incurs a computational overhead independent of the size of the original dataset. Our analysis additionally quantifies the deletion capacity of the model -- i.e., the number of examples that can be unlearned without incurring a significant cost in model performance. Finally, we formally extend our analyses to account for adaptation to a given downstream task. In particular, we design an efficient algorithm to perform unlearning after fine-tuning the topic model via a linear head. Notably, we show that it is easier to unlearn pre-training data from models that have been fine-tuned to a particular task, and one can unlearn this data without modifying the base model.

Applications · Language, Speech and Dialog

Alexander Liu, Sang-gil Lee, Chao-Han Huck Yang, Yuan Gong, Yu-Chiang Frank Wang, James R Glass, Rafael Valle, Bryan Catanzaro

Pre-training and representation learning have been playing an increasingly important role in modern speech processing. Nevertheless, different applications have been relying on different foundation models, since predominant pre-training techniques are either designed for discriminative tasks or generative tasks. In this work, we make the first attempt at building a unified pre-training framework for both types of tasks in speech. We show that with the appropriate design choices for pre-training, one can jointly learn a representation encoder and generative audio decoder that can be applied to both types of tasks. We propose UniWav, an encoder-decoder framework designed to unify pre-training representation learning and generative tasks. On speech recognition, text-to-speech, and speech tokenization, UniWav achieves comparable performance to different existing foundation models, each trained on a specific task. Our findings suggest that a single general-purpose foundation model for speech can be built to replace different foundation models, reducing the overhead and cost of pre-training.

Applications · Time Series

Xiao Han, Saima Absar, Lu Zhang, Shuhan Yuan

Identifying the root causes of anomalies in multivariate time series is challenging due to the complex dependencies among the series. In this paper, we propose a comprehensive approach called AERCA that inherently integrates Granger causal discovery with root cause analysis. By defining anomalies as interventions on the exogenous variables of time series, AERCA not only learns the Granger causality among time series but also explicitly models the distributions of exogenous variables under normal conditions. AERCA then identifies the root causes of anomalies by highlighting exogenous variables that significantly deviate from their normal states. Experiments on multiple synthetic and real-world datasets demonstrate that AERCA can accurately capture the causal relationships among time series and effectively identify the root causes of anomalies.

Applications · Time Series

Xiao Han, Saima Absar, Lu Zhang, Shuhan Yuan

Identifying the root causes of anomalies in multivariate time series is challenging due to the complex dependencies among the series. In this paper, we propose a comprehensive approach called AERCA that inherently integrates Granger causal discovery with root cause analysis. By defining anomalies as interventions on the exogenous variables of time series, AERCA not only learns the Granger causality among time series but also explicitly models the distributions of exogenous variables under normal conditions. AERCA then identifies the root causes of anomalies by highlighting exogenous variables that significantly deviate from their normal states. Experiments on multiple synthetic and real-world datasets demonstrate that AERCA can accurately capture the causal relationships among time series and effectively identify the root causes of anomalies.