NeurIPS 2023 论文列表

Numerous benchmarks have been established to assess the performance of foundation models on open-ended question answering, which serves as a comprehensive test of a model's ability to understand and generate language in a manner similar to humans. Most of these works focus on proposing new datasets, however, we see two main issues within previous benchmarking pipelines, namely testing leakage and evaluation automation. In this paper, we propose a novel benchmarking framework, Language-Model-as-an-Examiner, where the LM serves as a knowledgeable examiner that formulates questions based on its knowledge and evaluates responses in a reference-free manner. Our framework allows for effortless extensibility as various LMs can be adopted as the examiner, and the questions can be constantly updated given more diverse trigger topics. For a more comprehensive and equitable evaluation, we devise three strategies: (1) We instruct the LM examiner to generate questions across a multitude of domains to probe for a broad acquisition, and raise follow-up questions to engage in a more in-depth assessment. (2) Upon evaluation, the examiner combines both scoring and ranking measurements, providing a reliable result as it aligns closely with human annotations. (3) We additionally propose a decentralized Peer-examination method to address the biases in a single examiner. Our data and benchmarking results are available at: http://lmexam.xlore.cn.

Calibration ensures that probabilistic forecasts meaningfully capture uncertainty by requiring that predicted probabilities align with empirical frequencies. However, many existing calibration methods are specialized for post-hoc recalibration, which can worsen the sharpness of forecasts. Drawing on the insight that calibration can be viewed as a distribution matching task, we introduce kernel-based calibration metrics that unify and generalize popular forms of calibration for both classification and regression. These metrics admit differentiable sample estimates, making it easy to incorporate a calibration objective into empirical risk minimization. Furthermore, we provide intuitive mechanisms to tailor calibration metrics to a decision task, and enforce accurate loss estimation and no regret decisions. Our empirical evaluation demonstrates that employing these metrics as regularizers enhances calibration, sharpness, and decision-making across a range of regression and classification tasks, outperforming methods relying solely on post-hoc recalibration.

We present a novel method for tuning the regularization hyper-parameter, $\lambda$, of a ridge regression that is faster to compute than leave-one-out cross-validation (LOOCV) while yielding estimates of the regression parameters of equal, or particularly in the setting of sparse covariates, superior quality to those obtained by minimising the LOOCV risk. The LOOCV risk can suffer from multiple and bad local minima for finite $n$ and thus requires the specification of a set of candidate $\lambda$, which can fail to provide good solutions. In contrast, we show that the proposed method is guaranteed to find a unique optimal solution for large enough $n$, under relatively mild conditions, without requiring the specification of any difficult to determine hyper-parameters. This is based on a Bayesian formulation of ridge regression that we prove to have a unimodal posterior for large enough $n$, allowing for both the optimal $\lambda$ and the regression coefficients to be jointly learned within an iterative expectation maximization (EM) procedure. Importantly, we show that by utilizing an appropriate preprocessing step, a single iteration of the main EM loop can be implemented in $O(\min(n, p))$ operations, for input data with $n$ rows and $p$ columns. In contrast, evaluating a single value of $\lambda$ using fast LOOCV costs $O(n \min(n, p))$ operations when using the same preprocessing. This advantage amounts to an asymptotic improvement of a factor of $l$ for $l$ candidate values for $\lambda$ (in the regime $q, p \in O(\sqrt{n})$ where $q$ is the number of regression targets).

A major challenge in reinforcement learning is to develop practical, sample-efficient algorithms for exploration in high-dimensional domains where generalization and function approximation is required. Low-Rank Markov Decision Processes---where transition probabilities admit a low-rank factorization based on an unknown feature embedding---offer a simple, yet expressive framework for RL with function approximation, yet existing algorithms either (1) are computationally intractable, or (2) require restrictive statistical assumptions such as latent variable structure or access to model-based function approximation. In this work, we propose the first provably sample-efficient algorithm for exploration in Low-Rank MDPs that is both computationally efficient and model-free, allowing for general function approximation while requiring no structural assumptions beyond a reachability condition that we show is substantially weaker than that assumed in prior work. Our algorithm, SpanRL, uses the notion of a barycentric spanner for the feature embedding as an efficiently computable basis for exploration, performing efficient spanner computation by interleaving representation learning and policy optimization subroutines. Our analysis---which is appealingly simple and modular---carefully combines several techniques, including a new approach to error-tolerant barycentric spanner computation, and a new analysis of a certain minimax representation learning objective found in prior work.

We study the multi-agent game within the innovative framework of decision-dependent games, which establishes a feedback mechanism that population data reacts to agents’ actions and further characterizes the strategic interactions between agents. We focus on finding the Nash equilibrium of decision-dependent games in the bandit feedback setting. However, since agents are strategically coupled, traditional gradient-based methods are infeasible without the gradient oracle. To overcome this challenge, we model the strategic interactions by a general parametric model and propose a novel online algorithm, Online Performative Gradient Descent (OPGD), which leverages the ideas of online stochastic approximation and projected gradient descent to learn the Nash equilibrium in the context of function approximation for the unknown gradient. In particular, under mild assumptions on the function classes defined in the parametric model, we prove that OPGD can find the Nash equilibrium efficiently for strongly monotone decision-dependent games. Synthetic numerical experiments validate our theory.

3D segmentation of nuclei images is a fundamental task for many biological studies. Despite the rapid advances of large-volume 3D imaging acquisition methods and the emergence of sophisticated algorithms to segment the nuclei in recent years, a benchmark with all cells completely annotated is still missing, making it hard to accurately assess and further improve the performance of the algorithms. The existing nuclei segmentation benchmarks either worked on 2D only or annotated a small number of 3D cells, perhaps due to the high cost of 3D annotation for large-scale data. To fulfill the critical need, we constructed NIS3D, a 3D, high cell density, large-volume, and completely annotated Nuclei Image Segmentation benchmark, assisted by our newly designed semi-automatic annotation software. NIS3D provides more than 22,000 cells across multiple most-used species in this area. Each cell is labeled by three independent annotators, so we can measure the variability of each annotation. A confidence score is computed for each cell, allowing more nuanced testing and performance comparison. A comprehensive review on the methods of segmenting 3D dense nuclei was conducted. The benchmark was used to evaluate the performance of several selected state-of-the-art segmentation algorithms. The best of current methods is still far away from human-level accuracy, corroborating the necessity of generating such a benchmark. The testing results also demonstrated the strength and weakness of each method and pointed out the directions of further methodological development. The dataset can be downloaded here: https://github.com/yu-lab-vt/NIS3D.

This paper investigates group distributionally robust optimization (GDRO), with the purpose to learn a model that performs well over $m$ different distributions. First, we formulate GDRO as a stochastic convex-concave saddle-point problem, and demonstrate that stochastic mirror descent (SMD), using $m$ samples in each iteration, achieves an $O(m (\log m)/\epsilon^2)$ sample complexity for finding an $\epsilon$-optimal solution, which matches the $\Omega(m/\epsilon^2)$ lower bound up to a logarithmic factor. Then, we make use of techniques from online learning to reduce the number of samples required in each round from $m$ to $1$, keeping the same sample complexity. Specifically, we cast GDRO as a two-players game where one player simply performs SMD and the other executes an online algorithm for non-oblivious multi-armed bandits. Next, we consider a more practical scenario where the number of samples that can be drawn from each distribution is different, and propose a novel formulation of weighted GDRO, which allows us to derive distribution-dependent convergence rates. Denote by $n_i$ the sample budget for the $i$-th distribution, and assume $n_1 \geq n_2 \geq \cdots \geq n_m$. In the first approach, we incorporate non-uniform sampling into SMD such that the sample budget is satisfied in expectation, and prove that the excess risk of the $i$-th distribution decreases at an $O(\sqrt{n_1 \log m}/n_i)$ rate. In the second approach, we use mini-batches to meet the budget exactly and also reduce the variance in stochastic gradients, and then leverage stochastic mirror-prox algorithm, which can exploit small variances, to optimize a carefully designed weighted GDRO problem. Under appropriate conditions, it attains an $O((\log m)/\sqrt{n_i})$ convergence rate, which almost matches the optimal $O(\sqrt{1/n_i})$ rate of only learning from the $i$-th distribution with $n_i$ samples.

A hallmark property of explainable AI models is the ability to teach other agents, communicating knowledge of how to perform a task. While Large Language Models (LLMs) perform complex reasoning by generating explanations for their predictions, it is unclear whether they also make good teachers for weaker agents. To address this, we consider a student-teacher framework between two LLM agents and study if, when, and how the teacher should intervene with natural language explanations to improve the student’s performance. Since communication is expensive, we define a budget such that the teacher only communicates explanations for a fraction of the data, after which the student should perform well on its own. We decompose the teaching problem along four axes: (1) if teacher’s test time in- tervention improve student predictions, (2) when it is worth explaining a data point, (3) how the teacher should personalize explanations to better teach the student, and (4) if teacher explanations also improve student performance on future unexplained data. We first show that teacher LLMs can indeed intervene on student reasoning to improve their performance. Next, inspired by the Theory of Mind abilities of effective teachers, we propose building two few-shot mental models of the student. The first model defines an Intervention Function that simulates the utility of an intervention, allowing the teacher to intervene when this utility is the highest and improving student performance at lower budgets. The second model enables the teacher to personalize explanations for a particular student and outperform unpersonalized teachers. We also demonstrate that in multi-turn interactions, teacher explanations generalize and learning from explained data improves student performance on future unexplained data. Finally, we also verify that misaligned teachers can lower student performance to random chance by intentionally misleading them.

Magnetic Resonance Imaging (MRI) is a powerful medical imaging modality that offers diagnostic information without harmful ionizing radiation. Unlike optical imaging, MRI sequentially samples the spatial Fourier domain (k-space) of the image. Measurements are collected in multiple shots, or readouts, and in each shot, data along a smooth trajectory is sampled. Conventional MRI data acquisition relies on sampling k-space row-by-row in short intervals, which is slow and inefficient. More efficient, non-Cartesian sampling trajectories (e.g., Spirals) use longer data readout intervals, but are more susceptible to magnetic field inhomogeneities, leading to off-resonance artifacts. Spiral trajectories cause off-resonance blurring in the image, and the mathematics of this blurring resembles that of optical blurring, where magnetic field variation corresponds to depth and readout duration to aperture size. Off-resonance blurring is a system issue with a physics-based, accurate forward model. We present a physics-informed deep learning framework for off-resonance correction in MRI, which is trained exclusively on synthetic, noise-like data with representative marginal statistics. Our approach allows for fat/water separation and is compatible with parallel imaging acceleration. Through end-to-end training using synthetic randomized data (i.e., noise-like images, coil sensitivities, field maps), we train the network to reverse off-resonance effects across diverse anatomies and contrasts without retraining. We demonstrate the effectiveness of our approach through results on phantom and in-vivo data. This work has the potential to facilitate the clinical adoption of non-Cartesian sampling trajectories, enabling efficient, rapid, and motion-robust MRI scans. Code is publicly available at: https://github.com/mikgroup/ResoNet.

Image super-resolution (SR) aims to learn a mapping from low-resolution (LR) to high-resolution (HR) using paired HR-LR training images. Conventional SR methods typically gather the paired training data by synthesizing LR images from HR images using a predetermined degradation model, e.g., Bicubic down-sampling. However, the realistic degradation type of test images may mismatch with the training-time degradation type due to the dynamic changes of the real-world scenarios, resulting in inferior-quality SR images. To address this, existing methods attempt to estimate the degradation model and train an image-specific model, which, however, is quite time-consuming and impracticable to handle rapidly changing domain shifts. Moreover, these methods largely concentrate on the estimation of one degradation type (e.g., blur degradation), overlooking other degradation types like noise and JPEG in real-world test-time scenarios, thus limiting their practicality. To tackle these problems, we present an efficient test-time adaptation framework for SR, named SRTTA, which is able to quickly adapt SR models to test domains with different/unknown degradation types. Specifically, we design a second-order degradation scheme to construct paired data based on the degradation type of the test image, which is predicted by a pre-trained degradation classifier. Then, we adapt the SR model by implementing feature-level reconstruction learning from the initial test image to its second-order degraded counterparts, which helps the SR model generate plausible HR images. Extensive experiments are conducted on newly synthesized corrupted DIV2K datasets with 8 different degradations and several real-world datasets, demonstrating that our SRTTA framework achieves an impressive improvement over existing methods with satisfying speed. The source code is available at https://github.com/DengZeshuai/SRTTA.

Emergent properties have been widely adopted as a term to describe behavior not present in smaller models but observed in larger models (Wei et al., 2022a). Recent work suggests that the trade-off incurred by quantization is also an emergent property, with sharp drops in performance in models over 6B parameters. In this work, we ask _are quantization cliffs in performance solely a factor of scale?_ Against a backdrop of increased research focus on why certain emergent properties surface at scale, this work provides a useful counter-example. We posit that it is possible to optimize for a quantization friendly training recipe that suppresses large activation magnitude outliers. Here, we find that outlier dimensions are not an inherent product of scale, but rather sensitive to the optimization conditions present during pre-training. This both opens up directions for more efficient quantization, and poses the question of whether other emergent properties are inherent or can be altered and conditioned by optimization and architecture design choices. We successfully quantize models ranging in size from 410M to 52B with minimal degradation in performance.

In non-linear filtering, it is traditional to compare non-linear architectures such as neural networks to the standard linear Kalman Filter (KF). We observe that this mixes the evaluation of two separate components: the non-linear architecture, and the parameters optimization method. In particular, the non-linear model is often optimized, whereas the reference KF model is not. We argue that both should be optimized similarly, and to that end present the Optimized KF (OKF). We demonstrate that the KF may become competitive to neural models – if optimized using OKF. This implies that experimental conclusions of certain previous studies were derived from a flawed process. The advantage of OKF over the standard KF is further studied theoretically and empirically, in a variety of problems. Conveniently, OKF can replace the KF in real-world systems by merely updating the parameters.

Knowledge-based Visual Question Answering (KB-VQA) requires VQA systems to utilize knowledge from external knowledge bases to answer visually-grounded questions. Retrieval-Augmented Visual Question Answering (RA-VQA), a strong framework to tackle KB-VQA, first retrieves related documents with Dense Passage Retrieval (DPR) and then uses them to answer questions. This paper proposes Fine-grained Late-interaction Multi-modal Retrieval (FLMR) which significantly improves knowledge retrieval in RA-VQA. FLMR addresses two major limitations in RA-VQA's retriever: (1) the image representations obtained via image-to-text transforms can be incomplete and inaccurate and (2) similarity scores between queries and documents are computed with one-dimensional embeddings, which can be insensitive to finer-grained similarities. FLMR overcomes these limitations by obtaining image representations that complement those from the image-to-text transform using a vision model aligned with an existing text-based retriever through a simple alignment network. FLMR also encodes images and questions using multi-dimensional embeddings to capture finer-grained similarities between queries and documents. FLMR significantly improves the original RA-VQA retriever's PRRecall@5 by approximately 8\%. Finally, we equipped RA-VQA with two state-of-the-art large multi-modal/language models to achieve $\sim62$% VQA score in the OK-VQA dataset.

Recent research on online Gradient Balancing (GraB) has revealed that there exist permutation-based example orderings for SGD that are guaranteed to outperform random reshuffling (RR). Whereas RR arbitrarily permutes training examples, GraB leverages stale gradients from prior epochs to order examples -- achieving a provably faster convergence rate than RR. However, GraB is limited by design: while it demonstrates an impressive ability to scale-up training on centralized data, it does not naturally extend to modern distributed ML workloads. We therefore propose Coordinated Distributed GraB (CD-GraB), which uses insights from prior work on kernel thinning to translate the benefits of provably faster permutation-based example ordering to distributed settings. With negligible overhead, CD-GraB exhibits a linear speedup in convergence rate over centralized GraB and outperforms distributed RR on a variety of benchmark tasks.

Despite the success of cooperative multi-agent reinforcement learning algorithms, most of them focus on a single team composition, which prevents them from being used in more realistic scenarios where dynamic team composition is possible. While some studies attempt to solve this problem via multi-task learning in a fixed set of team compositions, there is still a risk of overfitting to the training set, which may lead to catastrophic performance when facing dramatically varying team compositions during execution. To address this problem, we propose to use mutual information (MI) as an augmented reward to prevent individual policies from relying too much on team-related information and encourage agents to learn policies that are robust in different team compositions. Optimizing this MI-augmented objective in an off-policy manner can be intractable due to the existence of dynamic marginal distribution. To alleviate this problem, we first propose a multi-agent policy iteration algorithm with a fixed marginal distribution and prove its convergence and optimality. Then, we propose to employ the Blahut–Arimoto algorithm and an imaginary team composition distribution for optimization with approximate marginal distribution as the practical implementation. Empirically, our method demonstrates strong zero-shot generalization to dynamic team compositions in complex cooperative tasks.

In the first-order query model for zero-sum $K\times K$ matrix games, players observe the expected pay-offs for all their possible actions under the randomized action played by their opponent. This classical model has received renewed interest after the discovery by Rakhlin and Sridharan that $\epsilon$-approximate Nash equilibria can be computed efficiently from $O(\frac{\ln K}{\epsilon})$ instead of $O(\frac{\ln K}{\epsilon^2})$ queries. Surprisingly, the optimal number of such queries, as a function of both $\epsilon$ and $K$, is not known. We make progress on this question on two fronts. First, we fully characterise the query complexity of learning exact equilibria ($\epsilon=0$), by showing that they require a number of queries that is linear in $K$, which means that it is essentially as hard as querying the whole matrix, which can also be done with $K$ queries. Second, for $\epsilon > 0$, the current query complexity upper bound stands at $O(\min(\frac{\ln(K)}{\epsilon} , K))$. We argue that, unfortunately, obtaining a matching lower bound is not possible with existing techniques: we prove that no lower bound can be derived by constructing hard matrices whose entries take values in a known countable set, because such matrices can be fully identified by a single query. This rules out, for instance, reducing to an optimization problem over the hypercube by encoding it as a binary payoff matrix. We then introduce a new technique for lower bounds, which allows us to obtain lower bounds of order $\tilde\Omega(\log(\frac{1}{K\epsilon})$ for any $\epsilon \leq 1 / (cK^4)$, where $c$ is a constant independent of $K$. We further discuss possible future directions to improve on our techniques in order to close the gap with the upper bounds.

Black-box hard-label adversarial attack on text is a practical and challenging task, as the text data space is inherently discrete and non-differentiable, and only the predicted label is accessible. Research on this problem is still in the embryonic stage and only a few methods are available. Nevertheless, existing methods rely on the complex heuristic algorithm or unreliable gradient estimation strategy, which probably fall into the local optimum and inevitably consume numerous queries, thus are difficult to craft satisfactory adversarial examples with high semantic similarity and low perturbation rate in a limited query budget. To alleviate above issues, we propose a simple yet effective framework to generate high quality textual adversarial examples under the black-box hard-label attack scenarios, named HQA-Attack. Specifically, after initializing an adversarial example randomly, HQA-attack first constantly substitutes original words back as many as possible, thus shrinking the perturbation rate. Then it leverages the synonym set of the remaining changed words to further optimize the adversarial example with the direction which can improve the semantic similarity and satisfy the adversarial condition simultaneously. In addition, during the optimizing procedure, it searches a transition synonym word for each changed word, thus avoiding traversing the whole synonym set and reducing the query number to some extent. Extensive experimental results on five text classification datasets, three natural language inference datasets and two real-world APIs have shown that the proposed HQA-Attack method outperforms other strong baselines significantly.

We propose a novel neural network-based approach to modeling protein dynamics using an implicit representation of a protein’s surface in 3D and time. Our method utilizes the zero-level set of signed distance functions (SDFs) to represent protein surfaces, enabling temporally and spatially continuous representations of protein dynamics. Our experimental results demonstrate that our model accurately captures protein dynamic trajectories and can interpolate and extrapolate in 3D and time. Importantly, this is the first study to introduce this method and successfully model large-scale protein dynamics. This approach offers a promising alternative to current methods, overcoming the limitations of first-principles-based and deep learning methods, and provides a more scalable and efficient approach to modeling protein dynamics. Additionally, our surface representation approach simplifies calculations and allows identifying movement trends and amplitudes of protein domains, making it a useful tool for protein dynamics research. Codes are available at https://github.com/Sundw-818/DSR, and we have a project webpage that shows some video results, https://sundw-818.github.io/DSR/.

In this paper, we introduce $\texttt{TopoSRL}$, a novel self-supervised learning (SSL) method for simplicial complexes to effectively capture higher-order interactions and preserve topology in the learned representations. $\texttt{TopoSRL}$ addresses the limitations of existing graph-based SSL methods that typically concentrate on pairwise relationships, neglecting long-range dependencies crucial to capture topological information. We propose a new simplicial augmentation technique that generates two views of the simplicial complex that enriches the representations while being efficient. Next, we propose a new simplicial contrastive loss function that contrasts the generated simplices to preserve local and global information present in the simplicial complexes. Extensive experimental results demonstrate the superior performance of $\texttt{TopoSRL}$ compared to state-of-the-art graph SSL techniques and supervised simplicial neural models across various datasets corroborating the efficacy of $\texttt{TopoSRL}$ in processing simplicial complex data in a self-supervised setting.