ICML 2024 论文列表

Vision Transformers (ViT), when paired with large-scale pretraining, have shown remarkable performance across various computer vision tasks, primarily due to their weak inductive bias. However, while such weak inductive bias aids in pretraining scalability, this may hinder the effective adaptation of ViTs for visuo-motor control tasks as a result of the absence of control-centric inductive biases. Such absent inductive biases include spatial locality and translation equivariance bias which convolutions naturally offer. To this end, we introduce Convolution Injector (CoIn), an add-on module that injects convolutions which are rich in locality and equivariance biases into a pretrained ViT for effective adaptation in visuo-motor control. We evaluate CoIn with three distinct types of pretrained ViTs (CLIP, MVP, VC-1) across 12 varied control tasks within three separate domains (Adroit, MetaWorld, DMC), and demonstrate that CoIn consistently enhances control task performance across all experimented environments and models, validating the effectiveness of providing pretrained ViTs with control-centric biases.

The policies learned by humans in simple scenarios can be deployed in complex scenarios with the same task logic through limited feature alignment training, a process referred to as cognitive generalization or systematic generalization. Thus, a plausible conjecture is that unlocking cognitive generalization in DRL could enable effective generalization of policies from simple to complex scenarios through reward-agnostic fine-tuning. This would eliminate the need for designing reward functions in complex scenarios, thus reducing environment-building costs. In this paper, we propose a general framework to enhance the cognitive generalization ability of standard DRL methods. Our framework builds a cognitive latent space in a simple scenario, then segments the latent space to cluster samples with similar environmental influences into same subregion. During the fine-tuning in the complex scenario, the policy uses cognitive latent space to align the new sample with the same subregion sample collected from the simple scenario and approximates the rewards and Q values of the new samples for policy update. Based on this framework, we propose *Granular Ball Reinforcement Leaning* (GBRL), a practical algorithm via Variational Autoencoder (VAE) and Granular Ball Representation. GBRL achieves effective policy generalization on various difficult scenarios with the same task logic.

Motif scaffolding seeks to design scaffold structures for constructing proteins with functions derived from the desired motif, which is crucial for the design of vaccines and enzymes. Previous works approach the problem by inpainting or conditional generation. Both of them can only scaffold motifs with fixed positions, and the conditional generation cannot guarantee the presence of motifs. However, prior knowledge of the relative motif positions in a protein is not readily available, and constructing a protein with multiple functions in one protein is more general and significant because of the synergies between functions. We propose a Floating Anchor Diffusion (FADiff) model. FADiff allows motifs to float rigidly and independently in the process of diffusion, which guarantees the presence of motifs and automates the motif position design. Our experiments demonstrate the efficacy of FADiff with high success rates and designable novel scaffolds. To the best of our knowledge, FADiff is the first work to tackle the challenge of scaffolding multiple motifs without relying on the expertise of relative motif positions in the protein. Code is available at https://github.com/aim-uofa/FADiff.

Understanding what makes high-dimensional data learnable is a fundamental question in machine learning. On the one hand, it is believed that the success of deep learning lies in its ability to build a hierarchy of representations that become increasingly more abstract with depth, going from simple features like edges to more complex concepts. On the other hand, learning to be insensitive to invariances of the task, such as smooth transformations for image datasets, has been argued to be important for deep networks and it strongly correlates with their performance. In this work, we aim to explain this correlation and unify these two viewpoints. We show that by introducing sparsity to generative hierarchical models of data, the task acquires insensitivity to spatial transformations that are discrete versions of smooth transformations. In particular, we introduce the Sparse Random Hierarchy Model (SRHM), where we observe and rationalize that a hierarchical representation mirroring the hierarchical model is learnt precisely when such insensitivity is learnt, thereby explaining the strong correlation between the latter and performance. Moreover, we quantify how the sample complexity of CNNs learning the SRHM depends on both the sparsity and hierarchical structure of the task.

On-policy reinforcement learning methods, like Trust Region Policy Optimization (TRPO) and Proximal Policy Optimization (PPO), often demand extensive data per update, leading to sample inefficiency. This paper introduces Reflective Policy Optimization (RPO), a novel on-policy extension that amalgamates past and future state-action information for policy optimization. This approach empowers the agent for introspection, allowing modifications to its actions within the current state. Theoretical analysis confirms that policy performance is monotonically improved and contracts the solution space, consequently expediting the convergence procedure. Empirical results demonstrate RPO's feasibility and efficacy in two reinforcement learning benchmarks, culminating in superior sample efficiency. The source code of this work is available at https://github.com/Edgargan/RPO.

Recent advancements in large language models (LLMs) underscore their potential for responding to inquiries in various domains. However, ensuring that generative agents provide accurate and reliable answers remains an ongoing challenge. In this context, multi-agent debate (MAD) has emerged as a promising strategy for enhancing the truthfulness of LLMs. We benchmark a range of debating and prompting strategies to explore the trade-offs between cost, time, and accuracy. Importantly, we find that multi-agent debating systems, in their current form, do not reliably outperform other proposed prompting strategies, such as self-consistency and ensembling using multiple reasoning paths. However, when performing hyperparameter tuning, several MAD systems, such as Multi-Persona, perform better. This suggests that MAD protocols might not be inherently worse than other approaches, but that they are more sensitive to different hyperparameter settings and difficult to optimize. We build on these results to offer insights into improving debating strategies, such as adjusting agent agreement levels, which can significantly enhance performance and even surpass all other non-debate protocols we evaluated. We provide an open-source repository to the community with several state-of-the-art protocols together with evaluation scripts to benchmark across popular research datasets.

Few-shot open-set recognition (FSOSR) aims to detect instances from unseen classes by utilizing a small set of labeled instances from closed-set classes. Accurately rejecting instances from open-set classes in the few-shot setting is fundamentally more challenging due to the weaker supervised signals resulting from fewer labels. Transformer-based few-shot methods exploit attention mapping to achieve a consistent representation. However, the softmax-generated attention map normalizes all the instances that assign unnecessary high attentive weights to those instances not close to the closed-set classes that negatively impact the detection performance. In addition, open-set samples that are similar to a certain closed-set class also pose a significant challenge to most existing FSOSR models. To address these challenges, we propose a novel Meta Evidential Transformer (MET) based FSOSR model that uses an evidential open-set loss to learn more compact closed-set class representations by effectively leveraging similar closed-set classes. MET further integrates an evidence-to-variance ratio to detect fundamentally challenging tasks and uses an evidence-guided cross-attention mechanism to better separate the difficult open-set samples. Experiments on real-world datasets demonstrate consistent improvement over existing competitive methods in unseen class recognition without deteriorating closed-set performance.

Neural network compression has been an increasingly important subject, not only due to its practical relevance, but also due to its theoretical implications, as there is an explicit connection between compressibility and generalization error. Recent studies have shown that the choice of the hyperparameters of stochastic gradient descent (SGD) can have an effect on the compressibility of the learned parameter vector. These results, however, rely on unverifiable assumptions and the resulting theory does not provide a practical guideline due to its implicitness. In this study, we propose a simple modification for SGD, such that the outputs of the algorithm will be provably compressible without making any nontrivial assumptions. We consider a one-hidden-layer neural network trained with SGD, and show that if we inject additive heavy-tailed noise to the iterates at each iteration, for _any_ compression rate, there exists a level of overparametrization such that the output of the algorithm will be compressible with high probability. To achieve this result, we make two main technical contributions: (i) we prove a "propagation of chaos" result for a class of heavy-tailed stochastic differential equations, and (ii) we derive error estimates for their Euler discretization. Our experiments suggest that the proposed approach not only achieves increased compressibility with various models and datasets, but also leads to robust test performance under pruning, even in more realistic architectures that lie beyond our theoretical setting.

To improve the ability of the large language model (LLMs) to tackle complex reasoning problems, chain-of-thoughts (CoT) methods were proposed to guide LLMs to reason step-by-step, enabling problem solving from simple to complex. State-of-the-art methods for generating such a chain involve interactive collaboration, where the learner generates candidate intermediate thoughts, evaluated by the LLM, guiding the generation of subsequent thoughts. However, a widespread yet understudied problem is that the evaluation from the LLM is typically noisy and unreliable, potentially misleading the generation process in selecting promising intermediate thoughts. In this paper, motivated by Vapnik's principle, we use pairwise-comparison evaluation instead of point-wise scoring to search for promising intermediate thoughts with the noisy feedback from the LLM. In each round, we randomly pair intermediate thoughts and directly prompt the LLM to select the more promising one from each pair, allowing us to identify the most promising thoughts through an iterative process. To further alleviate the noise in the comparison, we incorporate techniques from ensemble learning and dueling bandits, proposing two variants of the algorithm. Experiments on three real-world tasks demonstrate the effectiveness of our proposed algorithm and verify the rationale of the pairwise comparison mechanism.

Spatio-temporal point processes (STPPs) are potent mathematical tools for modeling and predicting events with both temporal and spatial features. Despite their versatility, most existing methods for learning STPPs either assume a restricted form of the spatio-temporal distribution, or suffer from inaccurate approximations of the intractable integral in the likelihood training objective. These issues typically arise from the normalization term of the probability density function. Moreover, existing works only provide point prediction for events without quantifying their uncertainty, such as confidence intervals for the event's arrival time and confidence regions for the event's location, which is crucial given the considerable randomness of the data. To tackle these challenges, we introduce SMASH: a Score MAtching-based pSeudolikeliHood estimator for learning marked STPPs. Specifically, our framework adopts a normalization-free objective by estimating the pseudolikelihood of marked STPPs through score-matching and predicts confidence intervals/regions for event time and location by generating samples through a score-based sampling algorithm. The superior performance of our proposed framework is demonstrated through extensive experiments on both point and confidence interval/region prediction of events.

Adam with decoupled weight decay, also known as AdamW, is widely acclaimed for its superior performance in language modeling tasks, surpassing Adam with $\ell_2$ regularization in terms of generalization and optimization. However, this advantage is not theoretically well-understood. One challenge here is that though intuitively Adam with $\ell_2$ regularization optimizes the $\ell_2$ regularized loss, it is not clear if AdamW optimizes a specific objective. In this work, we make progress toward understanding the benefit of AdamW by showing that it implicitly performs constrained optimization. More concretely, we show in the full-batch setting, if AdamW converges with any non-increasing learning rate schedule whose partial sum diverges, it must converge to a KKT point of the original loss under the constraint that the $\ell_\infty$ norm of the parameter is bounded by the inverse of the weight decay factor. This result is built on the observation that Adam can be viewed as a smoothed version of SignGD, which is the normalized steepest descent with respect to $\ell_\infty$ norm, and a surprising connection between normalized steepest descent with weight decay and Frank-Wolfe.

Negotiation is the basis of social interactions; humans negotiate everything from the price of cars to how to share common resources. With rapidly growing interest in using large language models (LLMs) to act as agents on behalf of human users, such LLM agents would also need to be able to negotiate. In this paper, we study how well LLMs can negotiate with each other. We develop NegotiationArena: a flexible framework for evaluating and probing the negotiation abilities of LLM agents. We implemented three types of scenarios in NegotiationArena to assess LLM's behaviors in allocating shared resources (ultimatum games), aggregate resources (trading games) and buy/sell goods (price negotiations). Each scenario allows for multiple turns of flexible dialogues between LLM agents to allow for more complex negotiations. Interestingly, LLM agents can significantly boost their negotiation outcomes by employing certain behavioral tactics. For example, by pretending to be desolate and desperate, LLMs can improve their payoffs by 20% when negotiating against the standard GPT-4. We also quantify irrational negotiation behaviors exhibited by the LLM agents, many of which also appear in humans. Together, NegotiationArena offers a new environment to investigate LLM interactions, enabling new insights into LLM's theory of mind, irrationality, and reasoning abilities

In the context of average-reward reinforcement learning, the requirement for oracle knowledge of the mixing time, a measure of the duration a Markov chain under a fixed policy needs to achieve its stationary distribution, poses a significant challenge for the global convergence of policy gradient methods. This requirement is particularly problematic due to the difficulty and expense of estimating mixing time in environments with large state spaces, leading to the necessity of impractically long trajectories for effective gradient estimation in practical applications. To address this limitation, we consider the Multi-level Actor-Critic (MAC) framework, which incorporates a Multi-level Monte-Carlo (MLMC) gradient estimator. With our approach, we effectively alleviate the dependency on mixing time knowledge, a first for average-reward MDPs global convergence. Furthermore, our approach exhibits the tightest available dependence of $\mathcal{O}(\sqrt{\tau_{mix}})$ known from prior work. With a 2D grid world goal-reaching navigation experiment, we demonstrate that MAC outperforms the existing state-of-the-art policy gradient-based method for average reward settings.

Diffusion models have emerged as state-of-the-art generative models for image generation. However, sampling from diffusion models is usually time-consuming due to the inherent autoregressive nature of their sampling process. In this work, we propose a novel approach that accelerates the sampling of diffusion models by parallelizing the autoregressive process. Specifically, we reformulate the sampling process as solving a system of triangular nonlinear equations through fixed-point iteration. With this innovative formulation, we explore several systematic techniques to further reduce the iteration steps required by the solving process. Applying these techniques, we introduce ParaTAA, a universal and training-free parallel sampling algorithm that can leverage extra computational and memory resources to increase the sampling speed. Our experiments demonstrate that ParaTAA can decrease the inference steps required by common sequential sampling algorithms such as DDIM and DDPM by a factor of 4$\sim$14 times. Notably, when applying ParaTAA with 100 steps DDIM for Stable Diffusion, a widely-used text-to-image diffusion model, it can produce the same images as the sequential sampling in only 7 inference steps. The code is available at https://github.com/TZW1998/ParaTAA-Diffusion.

Large-scale datasets are increasingly being used to inform decision making. While this effort aims to ground policy in real-world evidence, challenges have arisen as selection bias and other forms of distribution shifts often plague observational data. Previous attempts to provide robust inference have given guarantees depending on a user-specified amount of possible distribution shift (e.g., the maximum KL divergence between the observed and target distributions). However, decision makers will often have additional knowledge about the target distribution which constrains the kind of possible shifts. To leverage such information, we propose a framework that enables statistical inference in the presence of selection bias which obeys user-specified constraints in the form of functions whose expectation is known under the target distribution. The output is high-probability bounds on the value of an estimand for the target distribution. Hence, our method leverages domain knowledge in order to partially identify a wide class of estimands. We analyze the computational and statistical properties of methods to estimate these bounds and show that our method can produce informative bounds on a variety of simulated and semisynthetic tasks, as well as in a real-world use case.

No-reference image- and video-quality metrics are widely used in video processing benchmarks. The robustness of learning-based metrics under video attacks has not been widely studied. In addition to having success, attacks on metrics that can be employed in video processing benchmarks must be fast and imperceptible. This paper introduces an Invisible One-Iteration (IOI) adversarial attack on no-reference image and video quality metrics. The proposed method uses two modules to ensure high visual quality and temporal stability of adversarial videos and runs for one iteration, which makes it fast. We compared our method alongside eight prior approaches using image and video datasets via objective and subjective tests. Our method exhibited superior visual quality across various attacked metric architectures while maintaining comparable attack success and speed. We made the code available on GitHub: https://github.com/katiashh/ioi-attack.

We study interactive learning in a setting where the agent has to generate a response (e.g., an action or trajectory) given a context and an instruction. In contrast, to typical approaches that train the system using reward or expert supervision on response, we study _learning with hindsight labeling_ where a teacher provides an instruction that is most suitable for the agent's generated response. This hindsight labeling of instruction is often easier to provide than providing expert supervision of the optimal response which may require expert knowledge or can be impractical to elicit. We initiate the theoretical analysis of _interactive learning with hindsight labeling_. We first provide a lower bound showing that in general, the regret of any algorithm must scale with the size of the agent's response space. Next, we study a specialized setting where the underlying instruction-response distribution can be decomposed as a low-rank matrix. We introduce an algorithm called LORIL for this setting and show that it is a no-regret algorithm with the regret scaling with $\sqrt{T}$ and depends on the _intrinsic rank_ but does not depend on the agent's response space. We provide experiments showing the performance of LORIL in practice for 2 domains.

Large language models (LLMs) have demonstrated remarkable potential across numerous applications and have shown an emergent ability to tackle complex reasoning tasks, such as mathematical computations. However, even for the simplest arithmetic calculations, the intrinsic mechanisms behind LLMs remains mysterious, making it challenging to ensure reliability. In this work, we delve into uncovering a specific mechanism by which LLMs execute calculations. Through comprehensive experiments, we find that LLMs frequently involve a small fraction (<5%) of attention heads, which play a pivotal role in focusing on operands and operators during calculation processes. Subsequently, the information from these operands is processed through multi-layer perceptrons (MLPs), progressively leading to the final solution. These pivotal heads/MLPs, though identified on a specific dataset, exhibit transferability across different datasets and even distinct tasks. This insight prompted us to investigate the potential benefits of selectively fine-tuning these essential heads/MLPs to boost the LLMs' computational performance. We empirically find that such precise tuning can yield notable enhancements on mathematical prowess, without compromising the performance on non-mathematical tasks. Our work serves as a preliminary exploration into the arithmetic calculation abilities inherent in LLMs, laying a solid foundation to reveal more intricate mathematical tasks.

For partial differential equations on domains of arbitrary shapes, existing works of neural operators attempt to learn a mapping from geometries to solutions. It often requires a large dataset of geometry-solution pairs in order to obtain a sufficiently accurate neural operator. However, for many industrial applications, e.g., engineering design optimization, it can be prohibitive to satisfy the requirement since even a single simulation may take hours or days of computation. To address this issue, we propose *reference neural operators* (RNO), a novel way of implementing neural operators, i.e., to learn the smooth dependence of solutions on geometric deformations. Specifically, given a reference solution, RNO can predict solutions corresponding to arbitrary deformations of the referred geometry. This approach turns out to be much more data efficient. Through extensive experiments, we show that RNO can learn the dependence across various types and different numbers of geometry objects with relatively small datasets. RNO outperforms baseline models in accuracy by a large lead and achieves up to 80% error reduction.