NeurIPS 2024 Papers

Accurately restoring topology is both challenging and crucial in tubular structure extraction tasks, such as blood vessel segmentation and road network extraction. Diverging from traditional approaches based on pixel-level classification, our proposed method, named GraphMorph, focuses on branch-level features of tubular structures to achieve more topologically accurate predictions. GraphMorph comprises two main components: a Graph Decoder and a Morph Module. Utilizing multi-scale features extracted from an image patch by the segmentation network, the Graph Decoder facilitates the learning of branch-level features and generates a graph that accurately represents the tubular structure in this patch. The Morph Module processes two primary inputs: the graph and the centerline probability map, provided by the Graph Decoder and the segmentation network, respectively. Employing a novel SkeletonDijkstra algorithm, the Morph Module produces a centerline mask that aligns with the predicted graph. Furthermore, we observe that employing centerline masks predicted by GraphMorph significantly reduces false positives in the segmentation task, which is achieved by a simple yet effective post-processing strategy. The efficacy of our method in the centerline extraction and segmentation tasks has been substantiated through experimental evaluations across various datasets. Source code will be released soon.

Computing Jacobians with automatic differentiation is ubiquitous in many scientific domains such as machine learning, computational fluid dynamics, robotics and finance. Even small savings in the number of computations or memory usage in Jacobian computations can already incur massive savings in energy consumption and runtime. While there exist many methods that allow for such savings, they generally trade computational efficiency for approximations of the exact Jacobian. In this paper, we present a novel method to optimize the number of necessary multiplications for Jacobian computation by leveraging deep reinforcement learning (RL) and a concept called cross-country elimination while still computing the exact Jacobian. Cross-country elimination is a framework for automatic differentiation that phrases Jacobian accumulation as ordered elimination of all vertices on the computational graph where every elimination incurs a certain computational cost. Finding the optimal elimination order that minimizes the number of necessary multiplications can be seen as a single player game which in our case is played by an RL agent. We demonstrate that this method achieves up to 33% improvements over state-of-the-art methods on several relevant tasks taken from relevant domains. Furthermore, we show that these theoretical gains translate into actual runtime improvements by providing a cross-country elimination interpreter in JAX that can execute the obtained elimination orders.

Signed Distance Function (SDF)-based volume rendering has demonstrated significant capabilities in surface reconstruction. Although promising, SDF-based methods often fail to capture detailed geometric structures, resulting in visible defects. By comparing SDF-based volume rendering to density-based volume rendering, we identify two main factors within the SDF-based approach that degrade surface quality: SDF-to-density representation and geometric regularization. These factors introduce challenges that hinder the optimization of the SDF field. To address these issues, we introduce NeuRodin, a novel two-stage neural surface reconstruction framework that not only achieves high-fidelity surface reconstruction but also retains the flexible optimization characteristics of density-based methods. NeuRodin incorporates innovative strategies that facilitate transformation of arbitrary topologies and reduce artifacts associated with density bias. Extensive evaluations on the Tanks and Temples and ScanNet++ datasets demonstrate the superiority of NeuRodin, showing strong reconstruction capabilities for both indoor and outdoor environments using solely posed RGB captures. Project website: https://open3dvlab.github.io/NeuRodin/

We develop a unifying framework for information-theoretic lower bound in statistical estimation and interactive decision making. Classical lower bound techniques---such as Fano's method, Le Cam's method, and Assouad's lemma---are central to the study of minimax risk in statistical estimation, yet are insufficient to provide tight lower bounds for \emph{interactive decision making} algorithms that collect data interactively (e.g., algorithms for bandits and reinforcement learning). Recent work of Foster et al. provides minimax lower bounds for interactive decision making using seemingly different analysis techniques from the classical methods. These results---which are proven using a complexity measure known as the \emph{Decision-Estimation Coefficient} (DEC)---capture difficulties unique to interactive learning, yet do not recover the tightest known lower bounds for passive estimation. We propose a unified view of these distinct methodologies through a new lower bound approach called \emph{interactive Fano method}. As an application, we introduce a novel complexity measure, the \emph{Fractional Covering Number}, which facilitates the new lower bounds for interactive decision making that extend the DEC methodology by incorporating the complexity of estimation. Using the fractional covering number, we (i) provide a unified characterization of learnability for \emph{any} stochastic bandit problem, (ii) close the remaining gap between the upper and lower bounds in Foster et al. (up to polynomial factors) for any interactive decision making problem in which the underlying model class is convex.

Multimodal representation learning techniques typically require paired samples to learn shared representations, but collecting paired samples can be challenging in fields like biology, where measurement devices often destroy the samples. This paper presents an approach to address the challenge of aligning unpaired samples across disparate modalities in multimodal representation learning. We draw an analogy between potential outcomes in causal inference and potential views in multimodal observations, allowing us to leverage Rubin's framework to estimate a common space for matching samples. Our approach assumes experimentally perturbed samples by treatments, and uses this to estimate a propensity score from each modality. We show that the propensity score encapsulates all shared information between a latent state and treatment, and can be used to define a distance between samples. We experiment with two alignment techniques that leverage this distance---shared nearest neighbours (SNN) and optimal transport (OT) matching---and find that OT matching results in significant improvements over state-of-the-art alignment approaches in on synthetic multi-modal tasks, in real-world data from NeurIPS Multimodal Single-Cell Integration Challenge, and on a single cell microscopy to expression prediction task.

Video language continual learning involves continuously adapting to information from video and text inputs, enhancing a model’s ability to handle new tasks while retaining prior knowledge. This field is a relatively under-explored area, and establishing appropriate datasets is crucial for facilitating communication and research in this field. In this study, we present the first dedicated benchmark, ViLCo-Bench, designed to evaluate continual learning models across a range of video-text tasks. The dataset comprises ten-minute-long videos and corresponding language queries collected from publicly available datasets. Additionally, we introduce a novel memory-efficient framework that incorporates self-supervised learning and mimics long-term and short-term memory effects. This framework addresses challenges including memory complexity from long video clips, natural language complexity from open queries, and text-video misalignment. We posit that ViLCo-Bench, with greater complexity compared to existing continual learning benchmarks, would serve as a critical tool for exploring the video-language domain, extending beyond conventional class-incremental tasks, and addressing complex and limited annotation issues. The curated data, evaluations, and our novel method are available at https://github.com/cruiseresearchgroup/ViLCo.

The efficacy of large language models (LLMs) in understanding and generating natural language has aroused a wide interest in developing prompt-based methods to harness the power of black-box LLMs. Existing methodologies usually prioritize a global optimization for finding the global optimum, which however will perform poorly in certain tasks. This thus motivates us to re-think the necessity of finding a global optimum in prompt optimization. To answer this, we conduct a thorough empirical study on prompt optimization and draw two major insights. Contrasting with the rarity of global optimum, local optima are usually prevalent and well-performed, which can be more worthwhile for efficient prompt optimization (**Insight I**). The choice of the input domain, covering both the generation and the representation of prompts, affects the identification of well-performing local optima (**Insight II**). Inspired by these insights, we propose a novel algorithm, namely localized zeroth-order prompt optimization (ZOPO), which incorporates a Neural Tangent Kernel-based derived Gaussian process into standard zeroth-order optimization for an efficient search of well-performing local optima in prompt optimization. Remarkably, ZOPO outperforms existing baselines in terms of both the optimization performance and the query efficiency, which we demonstrate through extensive experiments.

Referring 3D Segmentation is a visual-language task that segments all points of the specified object from a 3D point cloud described by a sentence of query. Previous works perform a two-stage paradigm, first conducting language-agnostic instance segmentation then matching with given text query. However, the semantic concepts from text query and visual cues are separately interacted during the training, and both instance and semantic labels for each object are required, which is time consuming and human-labor intensive. To mitigate these issues, we propose a novel Referring 3D Segmentation pipeline, Label-Efficient and Single-Stage, dubbed LESS, which is only under the supervision of efficient binary mask. Specifically, we design a Point-Word Cross-Modal Alignment module for aligning the fine-grained features of points and textual embedding. Query Mask Predictor module and Query-Sentence Alignment module are introduced for coarse-grained alignment between masks and query. Furthermore, we propose an area regularization loss, which coarsely reduces irrelevant background predictions on a large scale. Besides, a point-to-point contrastive loss is proposed concentrating on distinguishing points with subtly similar features. Through extensive experiments, we achieve state-of-the-art performance on ScanRefer dataset by surpassing the previous methods about 3.7% mIoU using only binary labels. Code is available at https://github.com/mellody11/LESS.

Allocation tasks represent a class of problems where a limited amount of resources must be allocated to a set of entities at each time step. Prominent examples of this task include portfolio optimization or distributing computational workloads across servers. Allocation tasks are typically bound by linear constraints describing practical requirements that have to be strictly fulfilled at all times. In portfolio optimization, for example, investors may be obligated to allocate less than 30\% of the funds into a certain industrial sector in any investment period. Such constraints restrict the action space of allowed allocations in intricate ways, which makes learning a policy that avoids constraint violations difficult. In this paper, we propose a new method for constrained allocation tasks based on an autoregressive process to sequentially sample allocations for each entity. In addition, we introduce a novel de-biasing mechanism to counter the initial bias caused by sequential sampling. We demonstrate the superior performance of our approach compared to a variety of Constrained Reinforcement Learning (CRL) methods on three distinct constrained allocation tasks: portfolio optimization, computational workload distribution, and a synthetic allocation benchmark. Our code is available at: https://github.com/niklasdbs/paspo

The power of digital platforms is at the center of major ongoing policy and regulatory efforts. To advance existing debates, we designed and executed an experiment to measure the performative power of online search providers. Instantiated in our setting, performative power quantifies the ability of a search engine to steer web traffic by rearranging results. To operationalize this definition we developed a browser extension that performs unassuming randomized experiments in the background. These randomized experiments emulate updates to the search algorithm and identify the causal effect of different content arrangements on clicks. Analyzing tens of thousands of clicks, we discuss what our robust quantitative findings say about the power of online search engines, using the Google Shopping antitrust investigation as a case study. More broadly, we envision our work to serve as a blueprint for how the recent definition of performative power can help integrate quantitative insights from online experiments with future investigations into the economic power of digital platforms.

As new machine learning methods demand larger training datasets, researchers and developers face significant challenges in dataset management. Although ethics reviews, documentation, and checklists have been established, it remains uncertain whether consistent dataset management practices exist across the community. This lack of a comprehensive overview hinders our ability to diagnose and address fundamental tensions and ethical issues related to managing large datasets. We present a systematic review of datasets published at the NeurIPS Datasets and Benchmarks track, focusing on four key aspects: provenance, distribution, ethical disclosure, and licensing. Our findings reveal that dataset provenance is often unclear due to ambiguous filtering and curation processes. Additionally, a variety of sites are used for dataset hosting, but only a few offer structured metadata and version control. These inconsistencies underscore the urgent need for standardized data infrastructures for the publication and management of datasets.

The recent increasing adoption of autobidding has inspired the growing interest in analyzing the performance of classic mechanism with value-maximizing autobidders both theoretically and empirically. It is known that optimal welfare can be obtained in first-price auctions if autobidders are restricted to uniform bid-scaling and the price of anarchy is $2$ when non-uniform bid-scaling strategies are allowed. In this paper, we provide a fine-grained price of anarchy analysis for non-uniform bid-scaling strategies in first-price auctions, demonstrating the reason why more powerful (individual) non-uniform bid-scaling strategies may lead to worse (aggregated) performance in social welfare. Our theoretical results match recent empirical findings that a higher level of non-uniform bid-scaling leads to lower welfare performance in first-price auctions.

Differential privacy (DP) is a widely used approach for mitigating privacy risks when training machine learning models on sensitive data. DP mechanisms add noise during training to limit the risk of information leakage. The scale of the added noise is critical, as it determines the trade-off between privacy and utility. The standard practice is to select the noise scale to satisfy a given privacy budget ε. This privacy budget is in turn interpreted in terms of operational attack risks, such as accuracy, sensitivity, and specificity of inference attacks aimed to recover information about the training data records. We show that first calibrating the noise scale to a privacy budget ε, and then translating ε to attack risk leads to overly conservative risk assessments and unnecessarily low utility. Instead, we propose methods to directly calibrate the noise scale to a desired attack risk level, bypassing the step of choosing ε. For a given notion of attack risk, our approach significantly decreases noise scale, leading to increased utility at the same level of privacy. We empirically demonstrate that calibrating noise to attack sensitivity/specificity, rather than ε, when training privacy-preserving ML models substantially improves model accuracy for the same risk level. Our work provides a principled and practical way to improve the utility of privacy-preserving ML without compromising on privacy.

Believable agents can empower interactive applications ranging from immersive environments to rehearsal spaces for interpersonal communication. Recently, generative agents have been proposed to simulate believable human behavior by using Large Language Models. However, the existing method heavily relies on human-annotated agent profiles (e.g., name, age, personality, relationships with others, and so on) for the initialization of each agent, which cannot be scaled up easily. In this paper, we propose a scalable RoleAgent framework to generate high-quality role-playing agents from raw scripts, which includes building and interacting stages. Specifically, in the building stage, we use a hierarchical memory system to extract and summarize the structure and high-level information of each agent for the raw script. In the interacting stage, we propose a novel innovative mechanism with four steps to achieve a high-quality interaction between agents. Finally, we introduce a systematic and comprehensive evaluation benchmark called RoleAgentBench to evaluate the effectiveness of our RoleAgent, which includes 100 and 28 roles for 20 English and 5 Chinese scripts, respectively. Extensive experimental results on RoleAgentBench demonstrate the effectiveness of RoleAgent.

We study private stochastic convex optimization (SCO) under user-level differential privacy (DP) constraints. In this setting, there are $n$ users (e.g., cell phones), each possessing $m$ data items (e.g., text messages), and we need to protect the privacy of each user's entire collection of data items. Existing algorithms for user-level DP SCO are impractical in many large-scale machine learning scenarios because: (i) they make restrictive assumptions on the smoothness parameter of the loss function and require the number of users to grow polynomially with the dimension of the parameter space; or (ii) they are prohibitively slow, requiring at least $(mn)^{3/2}$ gradient computations for smooth losses and $(mn)^3$ computations for non-smooth losses. To address these limitations, we provide novel user-level DP algorithms with state-of-the-art excess risk and runtime guarantees, without stringent assumptions. First, we develop a linear-time algorithm with state-of-the-art excess risk (for a non-trivial linear-time algorithm) under a mild smoothness assumption. Our second algorithm applies to arbitrary smooth losses and achieves optimal excess risk in $\approx (mn)^{9/8}$ gradient computations. Third, for non-smooth loss functions, we obtain optimal excess risk in $n^{11/8} m^{5/4}$ gradient computations. Moreover, our algorithms do not require the number of users to grow polynomially with the dimension.

Large language models (LLMs) have demonstrated remarkable efficacy across knowledge-intensive tasks. Nevertheless, their untapped potential in crop science presents an opportunity for advancement. To narrow this gap, we introduce CROP, which includes a novel instruction tuning dataset specifically designed to enhance LLMs’ professional capabilities in the crop science sector, along with a benchmark that serves as a comprehensive evaluation of LLMs’ understanding of the domain knowledge. The CROP dataset is curated through a task-oriented and LLM-human integrated pipeline, comprising 210,038 single-turn and 1,871 multi-turn dialogues related to crop science scenarios. The CROP benchmark includes 5,045 multiple-choice questions covering three difficulty levels. Our experiments based on the CROP benchmark demonstrate notable enhancements in crop science-related tasks when LLMs are fine-tuned with the CROP dataset. To the best of our knowledge, CROP dataset is the first-ever instruction tuning dataset in the crop science domain. We anticipate that CROP will accelerate the adoption of LLMs in the domain of crop science, ultimately contributing to global food production.

Fitness functions map large combinatorial spaces of biological sequences to properties of interest. Inferring these multimodal functions from experimental data is a central task in modern protein engineering. Global epistasis models are an effective and physically-grounded class of models for estimating fitness functions from observed data. These models assume that a sparse latent function is transformed by a monotonic nonlinearity to emit measurable fitness. Here we demonstrate that minimizing supervised contrastive loss functions, such as the Bradley-Terry loss, is a simple and flexible technique for extracting the sparse latent function implied by global epistasis. We argue by way of a fitness-epistasis uncertainty principle that the nonlinearities in global epistasis models can produce observed fitness functions that do not admit sparse representations, and thus may be inefficient to learn from observations when using a Mean Squared Error (MSE) loss (a common practice). We show that contrastive losses are able to accurately estimate a ranking function from limited data even in regimes where MSE is ineffective and validate the practical utility of this insight by demonstrating that contrastive loss functions result in consistently improved performance on empirical benchmark tasks.

We propose a novel algorithm for offline reinforcement learning using optimal transport. Typically, in offline reinforcement learning, the data is provided by various experts and some of them can be sub-optimal. To extract an efficient policy, it is necessary to \emph{stitch} the best behaviors from the dataset. To address this problem, we rethink offline reinforcement learning as an optimal transportation problem. And based on this, we present an algorithm that aims to find a policy that maps states to a \emph{partial} distribution of the best expert actions for each given state. We evaluate the performance of our algorithm on continuous control problems from the D4RL suite and demonstrate improvements over existing methods.

This paper investigates the impact of alignment between the target function of interest and the kernel matrix on a variety of kernel-based methods based on a general loss belonging to a rich loss function family, which covers many commonly used methods in regression and classification problems. We consider the truncated kernel-based method (TKM) which is estimated within a reduced function space constructed by using the spectral truncation of the kernel matrix and compare its theoretical behavior to that of the standard kernel-based method (KM) under various settings. By using the kernel complexity function that quantifies the complexity of the induced function space, we derive the upper bounds for both TKM and KM, and further reveal their dependencies on the degree of target-kernel alignment. Specifically, for the alignment with polynomial decay, the established results indicate that under the just-aligned and weakly-aligned regimes, TKM and KM share the same learning rate. Yet, under the strongly-aligned regime, KM suffers the saturation effect, while TKM can be continuously improved as the alignment becomes stronger. This further implies that TKM has a strong ability to capture the strong alignment and provide a theoretically guaranteed solution to eliminate the phenomena of saturation effect. The minimax lower bound is also established for the squared loss to confirm the optimality of TKM. Extensive numerical experiments further support our theoretical findings. The Python code for reproducing the numerical experiments is available at https://github.com/wywangen.