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第 43 / 120 页

Renjie Pi, Lewei Yao, Jianhua Han, Xiaodan Liang, Wei Zhang, Hang Xu

This paper introduces Instruction-oriented Object Detection (IOD), a new task that enhances human-computer interaction by enabling object detectors to understand user instructions and locate relevant objects. Unlike traditional open-vocabulary object detection tasks that rely on users providing a list of required category names, IOD requires models to comprehend natural-language instructions, contextual reasoning, and output the name and location of the desired categories. This poses fresh challenges for modern object detection systems. To develop an IOD system, we create a dataset called IOD-Bench, which consists of instruction-guided detections, along with specialized evaluation metrics. We leverage large-scale language models (LLMs) to generate a diverse set of instructions (8k+) based on existing public object detection datasets, covering a wide range of real-world scenarios. As an initial approach to the IOD task, we propose a model called Ins-DetCLIP. It harnesses the extensive knowledge within LLMs to empower the detector with instruction-following capabilities. Specifically, our Ins-DetCLIP employs a visual encoder (i.e., DetCLIP, an open-vocabulary detector) to extract object-level features. These features are then aligned with the input instructions using a cross-modal fusion module integrated into a pre-trained LLM. Experimental results conducted on IOD-Bench demonstrate that our model consistently outperforms baseline methods that directly combine LLMs with detection models. This research aims to pave the way for a more adaptable and versatile interaction paradigm in modern object detection systems, making a significant contribution to the field.

Deep Learning · Large Language Models

Yichuan Li, Xiyao Ma, Sixing Lu, Kyumin Lee, Xiaohu Liu, Chenlei Guo

Large Language models (LLMs) have demonstrated impressive in-context learning (ICL) capabilities, where a LLM makes predictions for a given test input together with a few input-output pairs (demonstrations).Nevertheless, the inclusion of demonstrations poses a challenge, leading to a quadratic increase in the computational overhead of the self-attention mechanism.Existing solutions attempt to condense lengthy demonstrations into compact vectors. However, they often require task-specific retraining or compromise LLM's in-context learning performance. To mitigate these challenges, we present Meta Demonstration Distillation (MEND), where a language model learns to distill any lengthy demonstrations into vectors without retraining for a new downstream task. We exploit the knowledge distillation to enhance alignment between MEND and MEND, achieving both efficiency and effectiveness concurrently. MEND is endowed with the meta-knowledge of distilling demonstrations through a two-stage training process, which includes meta-distillation pretraining and fine-tuning.Comprehensive evaluations across seven diverse ICL settings using decoder-only (GPT-2) and encoder-decoder (T5) attest to MEND's prowess.It not only matches but often outperforms the Vanilla ICL as well as other state-of-the-art distillation models, while significantly reducing the computational demands. This innovation promises enhanced scalability and efficiency for the practical deployment of large language models.

Deep Learning · Large Language Models

Hritik Bansal, John Dang, Aditya Grover

Aligning large language models (LLMs) with human values and intents critically involves the use of human or AI feedback. While dense feedback annotations are expensive to acquire and integrate, sparse feedback presents a structural design choice between ratings (e.g., score Response A on a scale of 1-7) and rankings (e.g., is Response A better than Response B?). In this work, we analyze the effect of this design choice for the alignment and evaluation of LLMs. We uncover an inconsistency problem wherein the preferences inferred from ratings and rankings significantly disagree 60% for both human and AI annotators. Our subsequent analysis identifies various facets of annotator biases that explain this phenomena such as human annotators would rate denser responses higher while preferring accuracy during pairwise judgments, for a particular comparison instance. To our surprise, we observe that the choice of feedback protocol has a significant effect on the evaluation of aligned LLMs. In particular, we find that LLMs that leverage rankings data for alignment (say model X) are preferred over those that leverage ratings data (say model Y), with a rank-based evaluation protocol (is X/Y's response better than reference response?) but not with a rating-based evaluation protocol (score Rank X/Y's response on a scale of 1-7). Our findings thus shed light on critical gaps in methods for evaluating the real-world utility of language models and their strong dependence on the feedback protocol used for alignment. Our code and data are available at \url{https://github.com/Hritikbansal/sparse_feedback}.

Reinforcement Learning · Inverse

Matteo Pirotta, Andrea Tirinzoni, Ahmed Touati, Alessandro Lazaric, Yann Ollivier

Imitation learning (IL) aims at producing agents that can imitate any behavior given a few expert demonstrations. Yet existing approaches require many demonstrations and/or running (online or offline) reinforcement learning (RL) algorithms for each new imitation task. Here we show that recent RL foundation models based on successor measures can imitate any expert behavior almost instantly with just a few demonstrations and no need for RL or fine-tuning, while accommodating several IL principles (behavioral cloning, feature matching, reward-based, and goal-based reductions). In our experiments, imitation via RL foundation models matches, and often surpasses, the performance of SOTA offline IL algorithms, and produces imitation policies from new demonstrations within seconds instead of hours.

Deep Learning · Generative Models and Autoencoders

Mehrdad Saberi, Vinu Sankar Sadasivan, Keivan Rezaei, Aounon Kumar, Atoosa Chegini, Wenxiao Wang, Soheil Feizi

In light of recent advancements in generative AI models, it has become essential to distinguish genuine content from AI-generated one to prevent the malicious usage of fake materials as authentic ones and vice versa. Various techniques have been introduced for identifying AI-generated images, with watermarking emerging as a promising approach. In this paper, we analyze the robustness of various AI-image detectors including watermarking and classifier-based deepfake detectors. For watermarking methods that introduce subtle image perturbations (i.e., low perturbation budget methods), we reveal a fundamental trade-off between the evasion error rate (i.e., the fraction of watermarked images detected as non-watermarked ones) and the spoofing error rate (i.e., the fraction of non-watermarked images detected as watermarked ones) upon an application of a diffusion purification attack. In this regime, we also empirically show that diffusion purification effectively removes watermarks with minimal changes to images. For high perturbation watermarking methods where notable changes are applied to images, the diffusion purification attack is not effective. In this case, we develop a model substitution adversarial attack that can successfully remove watermarks. Moreover, we show that watermarking methods are vulnerable to spoofing attacks where the attacker aims to have real images (potentially obscene) identified as watermarked ones, damaging the reputation of the developers. In particular, by just having black-box access to the watermarking method, we show that one can generate a watermarked noise image which can be added to the real images to have them falsely flagged as watermarked ones. Finally, we extend our theory to characterize a fundamental trade-off between the robustness and reliability of classifier-based deep fake detectors and demonstrate it through experiments. Code is available at https://github.com/mehrdadsaberi/watermark_robustness.

Gabriel Cardoso, Yazid Janati el idrissi, Sylvain Le Corff, Eric Moulines

Ill-posed linear inverse problems arise frequently in various applications, from computational photography to medical imaging.A recent line of research exploits Bayesian inference with informative priors to handle the ill-posedness of such problems.Amongst such priors, score-based generative models (SGM) have recently been successfully applied to several different inverse problems.In this study, we exploit the particular structure of the prior defined by the SGM to define a sequence of intermediate linear inverse problems. As the noise level decreases, the posteriors of these inverse problems get closer to the target posterior of the original inverse problem. To sample from this sequence of posteriors, we propose the use of Sequential Monte Carlo (SMC) methods.The proposed algorithm, \algo, is shown to be theoretically grounded and we provide numerical simulations showing that it outperforms competing baselines when dealing with ill-posed inverse problems in a Bayesian setting.

Theory · Online Learning and Bandits

Wang Chi Cheung, Vincent Tan, Zixin Zhong

We study the Pareto frontier of two archetypal objectives in multi-armed bandits, namely, regret minimization (RM) and best arm identification (BAI) with a fixed horizon. It is folklore that the balance between exploitation and exploration is crucial for both RM and BAI, but exploration is more critical in achieving the optimal performance for the latter objective. To this end, we design and analyze the BoBW-lil’UCB(\gamma) algorithm. Complementarily, by establishing lower bounds on the regret achievable by any algorithm with a given BAI failure probability, we show that (i) no algorithm can simultaneously perform optimally for both the RM and BAI objectives, and (ii) BoBW-lil’UCB(\gamma) achieves order-wise optimal performance for RM or BAI under different values of \gamma. Our work elucidates the trade-off more precisely by showing how the constants in previous works depend on certain hardness parameters. Finally, we show that BoBW-lil’UCB outperforms a close competitor UCB_{\alpha} (Degenne et al., 2019) in terms of the time complexity and the regret on diverse datasets such as MovieLens and Published Kinase Inhibitor Set.

Deep Learning · Generative Models and Autoencoders

An-Chieh Cheng, Xueting Li, Sifei Liu, Xiaolong Wang

Textures are a vital aspect of creating visually appealing and realistic 3D models. In this paper, we study the problem of generating high-fidelity texture given shapes of 3D assets, which has been relatively less explored compared with generic 3D shape modeling. Our goal is to facilitate a controllable texture generation process, such that one texture code can correspond to a particular appearance style independent of any input shapes from a category. We introduce Texture UV Radiance Fields (TUVF) that generate textures in a learnable UV sphere space rather than directly on the 3D shape. This allows the texture to be disentangled from the underlying shape and transferable to other shapes that share the same UV space, i.e., from the same category. We integrate the UV sphere space with the radiance field, which provides a more efficient and accurate representation of textures than traditional texture maps. We perform our experiments on synthetic and real-world object datasets where we achieve not only realistic synthesis but also substantial improvements over state-of-the-arts on texture controlling and editing.

Deep Learning · Generative Models and Autoencoders

chuan guo, Yuxuan Mu, Xinxin Zuo, Peng Dai, Youliang Yan, Juwei Lu, Li Cheng

Human motion stylization aims to revise the style of an input motion while keeping its content unaltered. Unlike existing works that operate directly in pose space, we leverage the \textit{latent space} of pretrained autoencoders as a more expressive and robust representation for motion extraction and infusion. Building upon this, we present a novel \textit{generative} model that produces diverse stylization results of a single motion (latent) code. During training, a motion code is decomposed into two coding components: a deterministic content code, and a probabilistic style code adhering to a prior distribution; then a generator massages the random combination of content and style codes to reconstruct the corresponding motion codes. Our approach is versatile, allowing the learning of probabilistic style space from either style labeled or unlabeled motions, providing notable flexibility in stylization as well. In inference, users can opt to stylize a motion using style cues from a reference motion or a label. Even in the absence of explicit style input, our model facilitates novel re-stylization by sampling from the unconditional style prior distribution. Experimental results show that our proposed stylization models, despite their lightweight design, outperform the state-of-the-arts in style reeanactment, content preservation, and generalization across various applications and settings.

Applications · Chemistry and Drug Discovery

Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Marwin Segler, José Miguel Hernández Lobato

Retrosynthesis is the task of planning a series of chemical reactions to create a desired molecule from simpler, buyable molecules. While previous works have proposed algorithms to find optimal solutions for a range of metrics (e.g. shortest, lowest-cost), these works generally overlook the fact that we have imperfect knowledge of the space of possible reactions, meaning plans created by algorithms may not work in a laboratory. In this paper we propose a novel formulation of retrosynthesis in terms of stochastic processes to account for this uncertainty. We then propose a novel greedy algorithm called retro-fallback which maximizes the probability that at least one synthesis plan can be executed in the lab. Using in-silico benchmarks we demonstrate that retro-fallback generally produces better sets of synthesis plans than the popular MCTS and retro* algorithms.

Theory · Learning Theory

Na Li, Yuchen Jiao, Hangguan Shan, Shefeng Yan

The thriving field of multi-agent reinforcement learning (MARL) studies how a group of interacting agents make decisions autonomously in a shared dynamic environment. Existing theoretical studies in this area suffer from at least two of the following obstacles: memory inefficiency, the heavy dependence of sample complexity on the long horizon and the large state space, the high computational complexity, non-Markov policy, non-Nash policy, and high burn-in cost. In this work, we take a step towards settling this problem by designing a model-free self-play algorithm \emph{Memory-Efficient Nash Q-Learning (ME-Nash-QL)} for two-player zero-sum Markov games, which is a specific setting of MARL. We prove that ME-Nash-QL can output an $\varepsilon$-approximate Nash policy with remarkable space complexity $O(SABH)$, sample complexity $\widetilde{O}(H^4SAB/\varepsilon^2)$, and computational complexity $O(T\mathrm{poly}(AB))$, where $S$ is the number of states, $\{A, B\}$ is the number of actions for the two players, $H$ is the horizon length, and $T$ is the number of samples. Notably, our approach outperforms in terms of space complexity compared to existing algorithms for tabular cases. It achieves the lowest computational complexity while preserving Markov policies, setting a new standard. Furthermore, our algorithm outputs a Nash policy and achieves the best sample complexity compared with the existing guarantee for long horizons, i.e. when $\min \\{ A, B \\} \ll H^2$. Our algorithm also achieves the best burn-in cost $O(SAB\,\mathrm{poly}(H))$, whereas previous algorithms need at least $O(S^3 AB\,\mathrm{poly}(H))$ to attain the same level of sample complexity with ours.

Theory · Learning Theory

Namjun Kim, Chanho Min, Sejun Park

It has been shown that deep neural networks of a large enough width are universal approximators but they are not if the width is too small.There were several attempts to characterize the minimum width $w_{\min}$ enabling the universal approximation property; however, only a few of them found the exact values.In this work, we show that the minimum width for $L^p$ approximation of $L^p$ functions from $[0,1]^{d_x}$ to $\mathbb R^{d_y}$ is exactly $\max\\{d_x,d_y,2\\}$ if an activation function is ReLU-Like (e.g., ReLU, GELU, Softplus).Compared to the known result for ReLU networks, $w_{\min}=\max\\{d_x+1,d_y\\}$ when the domain is ${\mathbb R^{d_x}}$, our result first shows that approximation on a compact domain requires smaller width than on ${\mathbb R^{d_x}}$.We next prove a lower bound on $w_{\min}$ for uniform approximation using general activation functions including ReLU: $w_{\min}\ge d_y+1$ if $d_x<d_y\le2d_x$. Together with our first result, this shows a dichotomy between $L^p$ and uniform approximations for general activation functions and input/output dimensions.

Applications · Chemistry and Drug Discovery

Yanqiao Zhu, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev 等

Molecular Representation Learning (MRL) has proven impactful in numerous biochemical applications such as drug discovery and enzyme design. While Graph Neural Networks (GNNs) are effective at learning molecular representations from a 2D molecular graph or a single 3D structure, existing works often overlook the flexible nature of molecules, which continuously interconvert across conformations via chemical bond rotations and minor vibrational perturbations. To better account for molecular flexibility, some recent works formulate MRL as an ensemble learning problem, focusing on explicitly learning from a set of conformer structures. However, most of these studies have limited datasets, tasks, and models. In this work, we introduce the first MoleculAR Conformer Ensemble Learning (MARCEL) benchmark to thoroughly evaluate the potential of learning on con- former ensembles and suggest promising research directions. MARCEL includes four datasets covering diverse molecule- and reaction-level properties of chemically diverse molecules including organocatalysts and transition-metal catalysts, extending beyond the scope of common GNN benchmarks that are confined to drug-like molecules. In addition, we conduct a comprehensive empirical study, which benchmarks representative 1D, 2D, and 3D MRL models, along with two strategies that explicitly incorporate conformer ensembles into 3D models. Our findings reveal that direct learning from an accessible conformer space can improve performance on a variety of tasks and models.

Deep Learning · Large Language Models

Yanai Elazar, Akshita Bhagia, Ian Magnusson, Abhilasha Ravichander, Dustin Schwenk, Alane Suhr, Pete Walsh, Dirk Groeneveld, Luca Soldaini, Sameer Singh 等

Large text corpora are the backbone of language models.However, we have a limited understanding of the content of these corpora, including general statistics, quality, social factors, and inclusion of evaluation data (contamination).In this work, we propose What's In My Big Data? (WIMBD), a platform and a set of sixteen analyses that allow us to reveal and compare the contents of large text corpora. WIMBD builds on two basic capabilities---count and search---*at scale*, which allows us to analyze more than 35 terabytes on a standard compute node. We apply WIMBD to ten different corpora used to train popular language models, including *C4*, *The Pile*, and *RedPajama*.Our analysis uncovers several surprising and previously undocumented findings about these corpora, including the high prevalence of duplicate, synthetic, and low-quality content, personally identifiable information, toxic language, and benchmark contamination. For instance, we find that about 50% of the documents in *RedPajama* and *LAION-2B-en* are duplicates. In addition, several datasets used for benchmarking models trained on such corpora are contaminated with respect to important benchmarks, including the Winograd Schema Challenge and parts of GLUE and SuperGLUE.We open-source WIMBD's code and artifacts to provide a standard set of evaluations for new text-based corpora and to encourage more analyses and transparency around them.

Deep Learning · Generative Models and Autoencoders

Hugo Cui, Florent Krzakala, Eric Vanden-Eijnden, Lenka Zdeborova

We study the problem of training a flow-based generative model, parametrized by a two-layer autoencoder, to sample from a high-dimensional Gaussian mixture. We provide a sharp end-to-end analysis of the problem. First, we provide a tight closed-form characterization of the learnt velocity field, when parametrized by a shallow denoising auto-encoder trained on a finite number $n$ of samples from the target distribution. Building on this analysis, we provide a sharp description of the corresponding generative flow, which pushes the base Gaussian density forward to an approximation of the target density. In particular, we provide closed-form formulae for the distance between the means of the generated mixture and the mean of the target mixture, which we show decays as $\Theta_n(\frac{1}{n})$. Finally, this rate is shown to be in fact Bayes-optimal.

Applications · Computer Vision

Zhen Yang, Ganggui Ding, Wen Wang, Hao Chen, Bohan Zhuang, Chunhua Shen

Diffusion-based image editing methods have achieved remarkable advances in text-driven image editing. The editing task aims to convert an input image with the original text prompt into the desired image that is well-aligned with the target text prompt. By comparing the original and target prompts, we can obtain numerous editing pairs, each comprising an object and its corresponding editing target. To allow editability while maintaining fidelity to the input image, existing editing methods typically involve a fixed number of inversion steps that project the whole input image to its noisier latent representation, followed by a denoising process guided by the target prompt. However, we find that the optimal number of inversion steps for achieving ideal editing results varies significantly among different editing pairs, owing to varying editing difficulties. Therefore, the current literature, which relies on a fixed number of inversion steps, produces sub-optimal generation quality, especially when handling multiple editing pairs in a natural image.To this end, we propose a new image editing paradigm, dubbed Object-aware Inversion and Reassembly (OIR), to enable object-level fine-grained editing. Specifically, we design a new search metric, which determines the optimal inversion steps for each editing pair, by jointly considering the editability of the target and the fidelity of the non-editing region. We use our search metric to find the optimal inversion step for each editing pair when editing an image. We then edit these editing pairs separately to avoid \concept. Subsequently, we propose an additional reassembly step to seamlessly integrate the respective editing results and the non-editing region to obtain the final edited image. To systematically evaluate the effectiveness of our method, we collect two datasets called OIRBench for benchmarking single- and multi-object editing, respectively. Experiments demonstrate that our method achieves superior performance in editing object shapes, colors, materials, categories, \textit{etc.}, especially in multi-object editing scenarios.The project page can be found in https://aim-uofa.github.io/OIR-Diffusion/.

Applications · Physics

Yehui Tang, Hao Xiong, Nianzu Yang, Tailong Xiao, Junchi Yan

Estimating the properties of quantum systems such as quantum phase has been critical in addressing the essential quantum many-body problems in physics and chemistry. Deep learning models have been recently introduced to property estimation, surpassing conventional statistical approaches. However, these methods are tailored to the specific task and quantum data at hand. It remains an open and attractive question for devising a more universal task-agnostic pretraining model for quantum property estimation. In this paper, we propose LLM4QPE, a large language model style quantum task-agnostic pretraining and finetuning paradigm that 1) performs unsupervised pretraining on diverse quantum systems with different physical conditions; 2) uses the pretrained model for supervised finetuning and delivers high performance with limited training data, on downstream tasks. It mitigates the cost for quantum data collection and speeds up convergence. Extensive experiments show the promising efficacy of LLM4QPE in various tasks including classifying quantum phases of matter on Rydberg atom model and predicting two-body correlation function on anisotropic Heisenberg model.

Deep Learning · Other Representation Learning

Hao Xiong, Yehui Tang, Yunlin He, Wei Tan, Junchi Yan

Network embedding (NE) is a prominent technique for network analysis where the nodes are represented as vectorized embeddings in a continuous space. Existing works tend to resort to the low-dimensional embedding space for efficiency and less risk of over-fitting. In this paper, we explore a new NE paradigm whose embedding dimension goes exponentially high w.r.t. the number of parameters, yet being very efficient and effective. Specifically, the node embeddings are represented as product states that lie in a super high-dimensional (e.g. $2^{32}$-dim) quantum Hilbert space, with a carefully designed optimization approach to guarantee the robustness to work in different scenarios. In the experiments, we show diverse virtues of our methods, including but not limited to: the overwhelming performance on downstream tasks against conventional low-dimensional NE baselines with the similar amount of computing resources, the super high efficiency for a fixed low embedding dimension (e.g. 512) with less than 1/200 memory usage, the robustness when equipped with different objectives and sampling strategies as a fundamental tool for future NE research. As a relatively unexplored topic in literature, the high-dimensional NE paradigm is demonstrated effective both experimentally and theoretically.

Theory · Learning Theory

Mohammadreza Mousavi Kalan, Samory Kpotufe

A critical barrier to learning an accurate decision rule for outlier detection is the scarcity of outlier data. As such, practitioners often turn to the use of similar but imperfect outlier data from which they might \emph{transfer} information to the target outlier detection task. Despite the recent empirical success of transfer learning in outlier detection, a fundamental understanding of when and how knowledge can be transferred from a source to a target in outlier detection remains elusive. In this work, we adopt the traditional framework of Neyman-Pearson classification---which formalizes \emph{supervised outlier detection}, i.e., unbalanced classification---with the added assumption that we have access to both source and (some or no) target outlier data. Our main results are then as follows:We first determine the information-theoretic limits of the problem under a measure of discrepancy that extends some existing notions from traditional balanced classification; interestingly, unlike in balanced classification, seemingly very dissimilar sources can provide much information about a target, thus resulting in fast transfer.We then show that, in principle, these information-theoretic limits are achievable by \emph{adaptive} procedures, i.e., procedures with no a priori information on the discrepancy between source and target distributions.

Optimization · Non-Convex

Aaron Zweig, Joan Bruna

Few neural architectures lend themselves to provable learning with gradient based methods. One popular model is the single-index model, in which labels are produced by composing an unknown linear projection with a possibly unknown scalar link function. Learning this model with SGD is relatively well-understood, whereby the so-called information exponent of the link function governs a polynomial sample complexity rate. However, extending this analysis to deeper or more complicated architectures remains challenging.In this work, we consider single index learning in the setting of symmetric neural networks. Under analytic assumptions on the activation and maximum degree assumptions on the link function, we prove that gradient flow recovers the hidden planted direction, represented as a finitely supported vector in the feature space of power sum polynomials. We characterize a notion of information exponent adapted to our setting that controls the efficiency of learning.