NeurIPS 2024 论文列表

Domain generalisation in computational histopathology is challenging because the images are substantially affected by differences among hospitals due to factors like fixation and staining of tissue and imaging equipment. We hypothesise that focusing on nuclei can improve the out-of-domain (OOD) generalisation in cancer detection. We propose a simple approach to improve OOD generalisation for cancer detection by focusing on nuclear morphology and organisation, as these are domain-invariant features critical in cancer detection. Our approach integrates original images with nuclear segmentation masks during training, encouraging the model to prioritise nuclei and their spatial arrangement. Going beyond mere data augmentation, we introduce a regularisation technique that aligns the representations of masks and original images. We show, using multiple datasets, that our method improves OOD generalisation and also leads to increased robustness to image corruptions and adversarial attacks. The source code is available at https://github.com/undercutspiky/SFL/

Finding specific preference-guided Pareto solutions that represent different trade-offs among multiple objectives is critical yet challenging in multi-objective problems. Existing methods are restrictive in preference definitions and/or their theoretical guarantees. In this work, we introduce a Flexible framEwork for pREfeRence-guided multi-Objective learning (**FERERO**) by casting it as a constrained vector optimization problem. Specifically, two types of preferences are incorporated into this formulation -- the *relative preference* defined by the partial ordering induced by a polyhedral cone, and the *absolute preference* defined by constraints that are linear functions of the objectives. To solve this problem, convergent algorithms are developed with both single-loop and stochastic variants. Notably, this is the *first single-loop primal algorithm* for constrained optimization to our knowledge. The proposed algorithms adaptively adjust to both constraint and objective values, eliminating the need to solve different subproblems at different stages of constraint satisfaction. Experiments on multiple benchmarks demonstrate the proposed method is very competitive in finding preference-guided optimal solutions. Code is available at https://github.com/lisha-chen/FERERO/.

Traditional information theory provides a valuable foundation for Reinforcement Learning (RL), particularly through representation learning and entropy maximiza tion for agent exploration. However, existing methods primarily concentrate on modeling the uncertainty associated with RL’s random variables, neglecting the in herent structure within the state and action spaces. In this paper, we propose a novel Structural Information principles-based Effective Exploration framework, namely SI2E. Structural mutual information between two variables is defined to address the single-variable limitation in structural information, and an innovative embedding principle is presented to capture dynamics-relevant state-action representations. The SI2E analyzes value differences in the agent’s policy between state-action pairs and minimizes structural entropy to derive the hierarchical state-action struc ture, referred to as the encoding tree. Under this tree structure, value-conditional structural entropy is defined and maximized to design an intrinsic reward mechanism that avoids redundant transitions and promotes enhanced coverage in the state-action space. Theoretical connections are established between SI2E and classical information-theoretic methodologies, highlighting our framework’s rationality and advantage. Comprehensive evaluations in the MiniGrid, MetaWorld, and DeepMind Control Suite benchmarks demonstrate that SI2E significantly outperforms state-of-the-art exploration baselines regarding final performance and sample efficiency, with maximum improvements of 37.63% and 60.25%, respectively.

Causal discovery with time series data remains a challenging yet increasingly important task across many scientific domains. Convergent cross mapping (CCM) and related methods have been proposed to study time series that are generated by dynamical systems, where traditional approaches like Granger causality are unreliable. However, CCM often yields inaccurate results depending upon the quality of the data. We propose the Tangent Space Causal Inference (TSCI) method for detecting causalities in dynamical systems. TSCI works by considering vector fields as explicit representations of the systems' dynamics and checks for the degree of synchronization between the learned vector fields. The TSCI approach is model-agnostic and can be used as a drop-in replacement for CCM and its generalizations. We first present a basic version of the TSCI algorithm, which is shown to be more effective than the basic CCM algorithm with very little additional computation. We additionally present augmented versions of TSCI that leverage the expressive power of latent variable models and deep learning. We validate our theory on standard systems, and we demonstrate improved causal inference performance across a number of benchmark tasks.

We provide faster randomized algorithms for computing an $\epsilon$-optimal policy in a discounted Markov decision process with $A_{\text{tot}}$-state-action pairs, bounded rewards, and discount factor $\gamma$. We provide an $\tilde{O}(A_{\text{tot}}[(1 - \gamma)^{-3}\epsilon^{-2} + (1 - \gamma)^{-2}])$-time algorithm in the sampling setting, where the probability transition matrix is unknown but accessible through a generative model which can be queried in $\tilde{O}(1)$-time, and an $\tilde{O}(s + (1-\gamma)^{-2})$-time algorithm in the offline setting where the probability transition matrix is known and $s$-sparse. These results improve upon the prior state-of-the-art which either ran in $\tilde{O}(A_{\text{tot}}[(1 - \gamma)^{-3}\epsilon^{-2} + (1 - \gamma)^{-3}])$ time [Sidford, Wang, Wu, Ye 2018] in the sampling setting, $\tilde{O}(s + A_{\text{tot}} (1-\gamma)^{-3})$ time [Sidford, Wang, Wu, Yang, Ye 2018] in the offline setting, or time at least quadratic in the number of states using interior point methods for linear programming. We achieve our results by building upon prior stochastic variance-reduced value iteration methods [Sidford, Wang, Wu, Yang, Ye 2018]. We provide a variant that carefully truncates the progress of its iterates to improve the variance of new variance-reduced sampling procedures that we introduce to implement the steps. Our method is essentially model-free and can be implemented in $\tilde{O}(A_{\text{tot}})$-space when given generative model access. Consequently, our results take a step in closing the sample-complexity gap between model-free and model-based methods.

Real-life contractual relations typically involve repeated interactions between the principal and agent, where, despite theoretical appeal, players rarely use complex dynamic strategies and instead manage uncertainty through learning algorithms. In this paper, we initiate the study of repeated contracts with learning agents, focusing on those achieving no-regret outcomes. For the canonical setting where the agent’s actions result in success or failure, we present a simple, optimal solution for the principal: Initially provide a linear contract with scalar $\alpha > 0$, then switch to a zero-scalar contract. This shift causes the agent to “free-fall” through their action space, yielding non-zero rewards for the principal at zero cost. Interestingly, despite the apparent exploitation, there are instances where our dynamic contract can make \emph{both} players better off compared to the best static contract. We then broaden the scope of our results to general linearly-scaled contracts, and, finally, to the best of our knowledge, we provide the first analysis of optimization against learning agents with uncertainty about the time horizon.

Optogenetics is widely used to study the effects of neural circuit manipulation on behavior. However, the paucity of causal inference methodological work on this topic has resulted in analysis conventions that discard information, and constrain the scientific questions that can be posed. To fill this gap, we introduce a nonparametric causal inference framework for analyzing "closed-loop" designs, which use dynamic policies that assign treatment based on covariates. In this setting, standard methods can introduce bias and occlude causal effects. Building on the sequentially randomized experiments literature in causal inference, our approach extends history-restricted marginal structural models for dynamic regimes. In practice, our framework can identify a wide range of causal effects of optogenetics on trial-by-trial behavior, such as, fast/slow-acting, dose-response, additive/antagonistic, and floor/ceiling. Importantly, it does so without requiring negative controls, and can estimate how causal effect magnitudes evolve across time points. From another view, our work extends "excursion effect" methods---popular in the mobile health literature---to enable estimation of causal contrasts for treatment sequences greater than length one, in the presence of positivity violations. We derive rigorous statistical guarantees, enabling hypothesis testing of these causal effects. We demonstrate our approach on data from a recent study of dopaminergic activity on learning, and show how our method reveals relevant effects obscured in standard analyses.

Consider a hiring process with candidates coming from different universities. It is easy to order candidates with the same background, yet it can be challenging to compare them otherwise. The latter case requires additional costly assessments, leading to a potentially high total cost for the hiring organization. Given an assigned budget, what would be an optimal strategy to select the most qualified candidate? We model the above problem as a multicolor secretary problem, allowing comparisons between candidates from distinct groups at a fixed cost. Our study explores how the allocated budget enhances the success probability of online selection algorithms.

Geometric deep learning (GDL) has gained significant attention in scientific fields, for its proficiency in modeling data with intricate geometric structures. Yet, very few works have delved into its capability of tackling the distribution shift problem, a prevalent challenge in many applications. To bridge this gap, we propose GeSS, a comprehensive benchmark designed for evaluating the performance of GDL models in scientific scenarios with distribution shifts. Our evaluation datasets cover diverse scientific domains from particle physics, materials science to biochemistry, and encapsulate a broad spectrum of distribution shifts including conditional, covariate, and concept shifts. Furthermore, we study three levels of information access from the out-of-distribution (OOD) test data, including no OOD information, only unlabeled OOD data, and OOD data with a few labels. Overall, our benchmark results in 30 different experiment settings, and evaluates 3 GDL backbones and 11 learning algorithms in each setting. A thorough analysis of the evaluation results is provided, poised to illuminate insights for GDL researchers and domain practitioners who are to use GDL in their applications.

Large language models (LLMs) have the potential to generate texts that pose risks of misuse, such as plagiarism, planting fake reviews on e-commerce platforms, or creating inflammatory false tweets. Consequently, detecting whether a text is generated by LLMs has become increasingly important. Existing high-quality detection methods usually require access to the interior of the model to extract the intrinsic characteristics. However, since we do not have access to the interior of the black-box model, we must resort to surrogate models, which impacts detection quality. In order to achieve high-quality detection of black-box models, we would like to extract deep intrinsic characteristics of the black-box model generated texts. We view the generation process as a coupled process of prompt and intrinsic characteristics of the generative model. Based on this insight, we propose to decouple prompt and intrinsic characteristics (DPIC) for LLM-generated text detection method. Specifically, given a candidate text, DPIC employs an auxiliary LLM to reconstruct the prompt corresponding to the candidate text, then uses the prompt to regenerate text by the auxiliary LLM, which makes the candidate text and the regenerated text align with their prompts, respectively. Then, the similarity between the candidate text and the regenerated text is used as a detection feature, thus eliminating the prompt in the detection process, which allows the detector to focus on the intrinsic characteristics of the generative model. Compared to the baselines, DPIC has achieved an average improvement of 6.76\% and 2.91\% in detecting texts from different domains generated by GPT4 and Claude3, respectively.

Assessing action quality is both imperative and challenging due to its significant impact on the quality of AI-generated videos, further complicated by the inherently ambiguous nature of actions within AI-generated video (AIGV). Current action quality assessment (AQA) algorithms predominantly focus on actions from real specific scenarios and are pre-trained with normative action features, thus rendering them inapplicable in AIGVs. To address these problems, we construct GAIA, a Generic AI-generated Action dataset, by conducting a large-scale subjective evaluation from a novel causal reasoning-based perspective, resulting in 971,244 ratings among 9,180 video-action pairs. Based on GAIA, we evaluate a suite of popular text-to-video (T2V) models on their ability to generate visually rational actions, revealing their pros and cons on different categories of actions. We also extend GAIA as a testbed to benchmark the AQA capacity of existing automatic evaluation methods. Results show that traditional AQA methods, action-related metrics in recent T2V benchmarks, and mainstream video quality methods perform poorly with an average SRCC of 0.454, 0.191, and 0.519, respectively, indicating a sizable gap between current models and human action perception patterns in AIGVs. Our findings underscore the significance of action quality as a unique perspective for studying AIGVs and can catalyze progress towards methods with enhanced capacities for AQA in AIGVs.

Despite ongoing efforts to defend neural classifiers from adversarial attacks, they remain vulnerable, especially to unseen attacks. In contrast, humans are difficult to be cheated by subtle manipulations, since we make judgments only based on essential factors. Inspired by this observation, we attempt to model label generation with essential label-causative factors and incorporate label-non-causative factors to assist data generation. For an adversarial example, we aim to discriminate the perturbations as non-causative factors and make predictions only based on the label-causative factors. Concretely, we propose a casual diffusion model (CausalDiff) that adapts diffusion models for conditional data generation and disentangles the two types of casual factors by learning towards a novel casual information bottleneck objective. Empirically, CausalDiff has significantly outperformed state-of-the-art defense methods on various unseen attacks, achieving an average robustness of 86.39\% (+4.01\%) on CIFAR-10, 56.25\% (+3.13\%) on CIFAR-100, and 82.62\% (+4.93\%) on GTSRB (German Traffic Sign Recognition Benchmark). The code is available athttps://github.com/CAS-AISafetyBasicResearchGroup/CausalDiff.

Text-conditioned human motion generation has experienced significant advancements with diffusion models trained on extensive motion capture data and corresponding textual annotations. However, extending such success to 3D dynamic human-object interaction (HOI) generation faces notable challenges, primarily due to the lack of large-scale interaction data and comprehensive descriptions that align with these interactions. This paper takes the initiative and showcases the potential of generating human-object interactions without direct training on text-interaction pair data. Our key insight in achieving this is that interaction semantics and dynamics can be decoupled. Being unable to learn interaction semantics through supervised training, we instead leverage pre-trained large models, synergizing knowledge from a large language model and a text-to-motion model. While such knowledge offers high-level control over interaction semantics, it cannot grasp the intricacies of low-level interaction dynamics. To overcome this issue, we introduce a world model designed to comprehend simple physics, modeling how human actions influence object motion. By integrating these components, our novel framework, InterDreamer, is able to generate text-aligned 3D HOI sequences without relying on paired text-interaction data. We apply InterDreamer to the BEHAVE, OMOMO, and CHAIRS datasets, and our comprehensive experimental analysis demonstrates its capability to generate realistic and coherent interaction sequences that seamlessly align with the text directives.

With the widespread adoption of Large Language Models (LLMs), the prevalence of iterative interactions among these models is anticipated to increase. Notably, recent advancements in multi-round on-policy self-improving methods allow LLMs to generate new examples for training subsequent models. At the same time, multi-agent LLM systems, involving automated interactions among agents, are also increasing in prominence. Thus, in both short and long terms, LLMs may actively engage in an evolutionary process. We draw parallels between the behavior of LLMs and the evolution of human culture, as the latter has been extensively studied by cognitive scientists for decades. Our approach involves leveraging Iterated Learning (IL), a Bayesian framework that elucidates how subtle biases are magnified during human cultural evolution, to explain some behaviors of LLMs. This paper outlines key characteristics of agents' behavior in the Bayesian-IL framework, including predictions that are supported by experimental verification with various LLMs. This theoretical framework could help to more effectively predict and guide the evolution of LLMs in desired directions.

Self-assessment of one’s choices, i.e., confidence, is the topic of many decision neuroscience studies. Computational models of confidence, however, are limited to specific scenarios such as between choices with the same value. Here we present a normative framework for modeling decision confidence that is generalizable to various tasks and experimental setups. We further drive the implications of our model from both theoretical and experimental points of view. Specifically, we show that our model maps to the planning as an inference framework where the objective function is maximizing the gained reward and information entropy of the policy. Moreover, we validate our model on two different psychophysics experiments and show its superiority over other approaches in explaining subjects' confidence reports.

Image search and retrieval tasks can perpetuate harmful stereotypes, erase cultural identities, and amplify social disparities. Current approaches to mitigate these representational harms balance the number of retrieved items across population groups defined by a small number of (often binary) attributes. However, most existing methods overlook intersectional groups determined by combinations of group attributes, such as gender, race, and ethnicity. We introduce Multi-Group Proportional Representation (MPR), a novel metric that measures representation across intersectional groups. We develop practical methods for estimating MPR, provide theoretical guarantees, and propose optimization algorithms to ensure MPR in retrieval. We demonstrate that existing methods optimizing for equal and proportional representation metrics may fail to promote MPR. Crucially, our work shows that optimizing MPR yields more proportional representation across multiple intersectional groups specified by a rich function class, often with minimal compromise in retrieval accuracy. Code is provided at https://github.com/alex-oesterling/multigroup-proportional-representation.

When decisions are made at high frequency, traditional reinforcement learning (RL) methods struggle to accurately estimate action values. In turn, their performance is inconsistent and often poor. Whether the performance of distributional RL (DRL) agents suffers similarly, however, is unknown. In this work, we establish that DRL agents *are* sensitive to the decision frequency. We prove that action-conditioned return distributions collapse to their underlying policy's return distribution as the decision frequency increases. We quantify the rate of collapse of these return distributions and exhibit that their statistics collapse at different rates. Moreover, we define distributional perspectives on action gaps and advantages. In particular, we introduce the *superiority* as a probabilistic generalization of the advantage---the core object of approaches to mitigating performance issues in high-frequency value-based RL. In addition, we build a superiority-based DRL algorithm. Through simulations in an option-trading domain, we validate that proper modeling of the superiority distribution produces improved controllers at high decision frequencies.

We introduce SELF-DISCOVER, a general framework for LLMs to self-discover the task-intrinsic reasoning structures to tackle complex reasoning problems that are challenging for typical prompting methods. Core to the framework is a self-discovery process where LLMs select multiple atomic reasoning modules such as critical thinking and step-by-step thinking, and compose them into an explicit reasoning structure for LLMs to follow during decoding. SELF-DISCOVER substantially improves GPT-4 and PaLM 2’s performance on challenging reasoning benchmarks such as BigBench-Hard, grounded agent reasoning, and MATH, by as much as 32% compared to Chain of Thought (CoT). Furthermore, SELF-DISCOVER outperforms inference-intensive methods such as CoT-Self-Consistency by more than 20%, while requiring 10-40x fewer inference compute. Finally, we show that the self-discovered reasoning structures are universally applicable across model families: from PaLM 2-L to GPT-4, and from GPT-4 to Llama2, and share commonalities with human reasoning patterns.

Vision Transformers (ViTs) demonstrate remarkable performance in image classification through visual-token interaction learning, particularly when equipped with local information via region attention or convolutions. Although such architectures improve the feature aggregation from different granularities, they often fail to contribute to the robustness of the networks. Neural Cellular Automata (NCA) enables the modeling of global visual-token representations through local interactions, with its training strategies and architecture design conferring strong generalization ability and robustness against noisy input. In this paper, we propose Adaptor Neural Cellular Automata (AdaNCA) for Vision Transformers that uses NCA as plug-and-play adaptors between ViT layers, thus enhancing ViT's performance and robustness against adversarial samples as well as out-of-distribution inputs. To overcome the large computational overhead of standard NCAs, we propose Dynamic Interaction for more efficient interaction learning. Using our analysis of AdaNCA placement and robustness improvement, we also develop an algorithm for identifying the most effective insertion points for AdaNCA. With less than a 3% increase in parameters, AdaNCA contributes to more than 10% absolute improvement in accuracy under adversarial attacks on the ImageNet1K benchmark. Moreover, we demonstrate with extensive evaluations across eight robustness benchmarks and four ViT architectures that AdaNCA, as a plug-and-play module, consistently improves the robustness of ViTs.