OpenRaiser/Intern-Atlas huggingface dataset:
The Prevalence of Neural Collapse in Neural Multivariate  Regression
Venue: Conference NeurIPS 2024
Year: 2024

Recently it has been observed that neural networks exhibit Neural Collapse (NC) during the final stage of training for the classification problem. We empirically show that multivariate regression, as employed in imitation learning and other applications, exhibits Neural Regression Collapse (NRC), a new form of neural collapse: (NRC1) The last-layer feature vectors collapse to the subspace spanned by the $n$ principal components of the feature vectors, where $n$ is the dimension of the targets (for univariate regression, $n=1$); (NRC2) The last-layer feature vectors also collapse to the subspace spanned by the last-layer weight vectors; (NRC3) The Gram matrix for the weight vectors converges to a specific functional form that depends on the covariance matrix of the targets. After empirically establishing the prevalence of (NRC1)-(NRC3) for a variety of datasets and network architectures, we provide an explanation of these phenomena by modeling the regression task in the context of the Unconstrained Feature Model (UFM), in which the last layer feature vectors are treated as free variables when minimizing the loss function. We show that when the regularization parameters in the UFM model are strictly positive, then (NRC1)-(NRC3) also emerge as solutions in the UFM optimization problem. We also show that if the regularization parameters are equal to zero, then there is no collapse. To our knowledge, this is the first empirical and theoretical study of neural collapse in the context of regression. This extension is significant not only because it broadens the applicability of neural collapse to a new category of problems but also because it suggests that the phenomena of neural collapse could be a universal behavior in deep learning.
Quantifying the Gain in Weak-to-Strong Generalization
Venue: Conference NeurIPS 2024
Year: 2024

Recent advances in large language models have shown capabilities that are extraordinary and near-superhuman. These models operate with such complexity that reliably evaluating and aligning them proves challenging for humans. This leads to the natural question: can guidance from weak models (like humans) adequately direct the capabilities of strong models? In a recent and somewhat surprising work, Burns et al. (2023) empirically demonstrated that when strong models (like GPT-4) are finetuned using labels generated by weak supervisors (like GPT-2), the strong models outperform their weaker counterparts -- a phenomenon they term weak-to-strong generalization. In this work, we present a theoretical framework for understanding weak-to-strong generalization. Specifically, we show that the improvement in performance achieved by strong models over their weaker counterparts is quantified by the misfit error incurred by the strong model on labels generated by the weaker model. Our theory reveals several curious algorithmic insights. For instance, we can predict the amount by which the strong model will improve over the weak model, and also choose among different weak models to train the strong model, based on its misfit error. We validate our theoretical findings through various empirical assessments.
INQUIRE: A Natural World Text-to-Image Retrieval Benchmark
Venue: Conference NeurIPS 2024
Year: 2024

We introduce INQUIRE, a text-to-image retrieval benchmark designed to challenge multimodal vision-language models on expert-level queries. INQUIRE includes iNaturalist 2024 (iNat24), a new dataset of five million natural world images, along with 250 expert-level retrieval queries. These queries are paired with all relevant images comprehensively labeled within iNat24, comprising 33,000 total matches. Queries span categories such as species identification, context, behavior, and appearance, emphasizing tasks that require nuanced image understanding and domain expertise. Our benchmark evaluates two core retrieval tasks: (1) INQUIRE-Fullrank, a full dataset ranking task, and (2) INQUIRE-Rerank, a reranking task for refining top-100 retrievals. Detailed evaluation of a range of recent multimodal models demonstrates that INQUIRE poses a significant challenge, with the best models failing to achieve an mAP@50 above 50%. In addition, we show that reranking with more powerful multimodal models can enhance retrieval performance, yet there remains a significant margin for improvement. By focusing on scientifically-motivated ecological challenges, INQUIRE aims to bridge the gap between AI capabilities and the needs of real-world scientific inquiry, encouraging the development of retrieval systems that can assist with accelerating ecological and biodiversity research. Our dataset and code are available at https://inquire-benchmark.github.io
GeoPlant: Spatial Plant Species Prediction Dataset
Venue: Conference NeurIPS 2024
Year: 2024

The difficulty of monitoring biodiversity at fine scales and over large areas limits ecological knowledge and conservation efforts. To fill this gap, Species Distribution Models (SDMs) predict species across space from spatially explicit features. Yet, they face the challenge of integrating the rich but heterogeneous data made available over the past decade, notably millions of opportunistic species observations and standardized surveys, as well as multimodal remote sensing data. In light of that, we have designed and developed a new European-scale dataset for SDMs at high spatial resolution (10--50m), including more than 10k species (i.e., most of the European flora). The dataset comprises 5M heterogeneous Presence-Only records and 90k exhaustive Presence-Absence survey records, all accompanied by diverse environmental rasters (e.g., elevation, human footprint, and soil) traditionally used in SDMs. In addition, it provides Sentinel-2 RGB and NIR satellite images with 10 m resolution, a 20-year time series of climatic variables, and satellite time series from the Landsat program. In addition to the data, we provide an openly accessible SDM benchmark (hosted on Kaggle), which has already attracted an active community and a set of strong baselines for single predictor/modality and multimodal approaches. All resources, e.g., the dataset, pre-trained models, and baseline methods (in the form of notebooks), are available on Kaggle, allowing one to start with our dataset literally with two mouse clicks.
IPO: Interpretable Prompt Optimization for Vision-Language Models
Venue: Conference NeurIPS 2024
Year: 2024

Pre-trained vision-language models like CLIP have remarkably adapted to various downstream tasks. Nonetheless, their performance heavily depends on the specificity of the input text prompts, which requires skillful prompt template engineering. Instead, current approaches to prompt optimization learn the prompts through gradient descent, where the prompts are treated as adjustable parameters. However, these methods tend to lead to overfitting of the base classes seen during training and produce prompts that are no longer understandable by humans. This paper introduces a simple but interpretable prompt optimizer (IPO), that utilizes large language models (LLMs) to generate textual prompts dynamically. We introduce a Prompt Optimization Prompt that not only guides LLMs in creating effective prompts but also stores past prompts with their performance metrics, providing rich in-context information. Additionally, we incorporate a large multimodal model (LMM) to condition on visual content by generating image descriptions, which enhance the interaction between textual and visual modalities. This allows for thae creation of dataset-specific prompts that improve generalization performance, while maintaining human comprehension. Extensive testing across 11 datasets reveals that IPO not only improves the accuracy of existing gradient-descent-based prompt learning methods but also considerably enhances the interpretability of the generated prompts. By leveraging the strengths of LLMs, our approach ensures that the prompts remain human-understandable, thereby facilitating better transparency and oversight for vision-language models.
Towards Principled Graph Transformers
Venue: Conference NeurIPS 2024
Year: 2024

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world tasks, limiting their practical impact. In contrast, global attention-based models such as graph transformers demonstrate strong performance in practice, but comparing their expressive power with the k-WL hierarchy remains challenging, particularly since these architectures rely on positional or structural encodings for their expressivity and predictive performance. To address this, we show that the recently proposed Edge Transformer, a global attention model operating on node pairs instead of nodes, has at least 3-WL expressive power. Empirically, we demonstrate that the Edge Transformer surpasses other theoretically aligned architectures regarding predictive performance while not relying on positional or structural encodings. Our code is available at https://github.com/luis-mueller/towards-principled-gts
AUCSeg: AUC-oriented Pixel-level Long-tail Semantic Segmentation
Venue: Conference NeurIPS 2024
Year: 2024

The Area Under the ROC Curve (AUC) is a well-known metric for evaluating instance-level long-tail learning problems. In the past two decades, many AUC optimization methods have been proposed to improve model performance under long-tail distributions. In this paper, we explore AUC optimization methods in the context of pixel-level long-tail semantic segmentation, a much more complicated scenario. This task introduces two major challenges for AUC optimization techniques. On one hand, AUC optimization in a pixel-level task involves complex coupling across loss terms, with structured inner-image and pairwise inter-image dependencies, complicating theoretical analysis. On the other hand, we find that mini-batch estimation of AUC loss in this case requires a larger batch size, resulting in an unaffordable space complexity. To address these issues, we develop a pixel-level AUC loss function and conduct a dependency-graph-based theoretical analysis of the algorithm's generalization ability. Additionally, we design a Tail-Classes Memory Bank (T-Memory Bank) to manage the significant memory demand. Finally, comprehensive experiments across various benchmarks confirm the effectiveness of our proposed AUCSeg method. The code is available at https://github.com/boyuh/AUCSeg.
Consistency Models for Scalable and Fast Simulation-Based Inference
Venue: Conference NeurIPS 2024
Year: 2024

Simulation-based inference (SBI) is constantly in search of more expressive and efficient algorithms to accurately infer the parameters of complex simulation models. In line with this goal, we present consistency models for posterior estimation (CMPE), a new conditional sampler for SBI that inherits the advantages of recent unconstrained architectures and overcomes their sampling inefficiency at inference time. CMPE essentially distills a continuous probability flow and enables rapid few-shot inference with an unconstrained architecture that can be flexibly tailored to the structure of the estimation problem. We provide hyperparameters and default architectures that support consistency training over a wide range of different dimensions, including low-dimensional ones which are important in SBI workflows but were previously difficult to tackle even with unconditional consistency models. Our empirical evaluation demonstrates that CMPE not only outperforms current state-of-the-art algorithms on hard low-dimensional benchmarks, but also achieves competitive performance with much faster sampling speed on two realistic estimation problems with high data and/or parameter dimensions.
RLE: A Unified Perspective of Data Augmentation for Cross-Spectral Re-Identification
Venue: Conference NeurIPS 2024
Year: 2024

This paper makes a step towards modeling the modality discrepancy in the cross-spectral re-identification task. Based on the Lambertain model, we observe that the non-linear modality discrepancy mainly comes from diverse linear transformations acting on the surface of different materials. From this view, we unify all data augmentation strategies for cross-spectral re-identification by mimicking such local linear transformations and categorizing them into moderate transformation and radical transformation. By extending the observation, we propose a Random Linear Enhancement (RLE) strategy which includes Moderate Random Linear Enhancement (MRLE) and Radical Random Linear Enhancement (RRLE) to push the boundaries of both types of transformation. Moderate Random Linear Enhancement is designed to provide diverse image transformations that satisfy the original linear correlations under constrained conditions, whereas Radical Random Linear Enhancement seeks to generate local linear transformations directly without relying on external information. The experimental results not only demonstrate the superiority and effectiveness of RLE but also confirm its great potential as a general-purpose data augmentation for cross-spectral re-identification. The code is available at \textcolor{magenta}{\url{https://github.com/stone96123/RLE}}.
State Space Models on Temporal Graphs: A First-Principles Study
Venue: Conference NeurIPS 2024
Year: 2024

Over the past few years, research on deep graph learning has shifted from static graphs to temporal graphs in response to real-world complex systems that exhibit dynamic behaviors. In practice, temporal graphs are formalized as an ordered sequence of static graph snapshots observed at discrete time points. Sequence models such as RNNs or Transformers have long been the predominant backbone networks for modeling such temporal graphs. Yet, despite the promising results, RNNs struggle with long-range dependencies, while transformers are burdened by quadratic computational complexity. Recently, state space models (SSMs), which are framed as discretized representations of an underlying continuous-time linear dynamical system, have garnered substantial attention and achieved breakthrough advancements in independent sequence modeling. In this work, we undertake a principled investigation that extends SSM theory to temporal graphs by integrating structural information into the online approximation objective via the adoption of a Laplacian regularization term. The emergent continuous-time system introduces novel algorithmic challenges, thereby necessitating our development of GraphSSM, a graph state space model for modeling the dynamics of temporal graphs. Extensive experimental results demonstrate the effectiveness of our GraphSSM framework across various temporal graph benchmarks.
PUZZLES: A Benchmark for Neural Algorithmic Reasoning
Venue: Conference NeurIPS 2024
Year: 2024

Algorithmic reasoning is a fundamental cognitive ability that plays a pivotal role in problem-solving and decision-making processes. Reinforcement Learning (RL) has demonstrated remarkable proficiency in tasks such as motor control, handling perceptual input, and managing stochastic environments. These advancements have been enabled in part by the availability of benchmarks. In this work we introduce PUZZLES, a benchmark based on Simon Tatham's Portable Puzzle Collection, aimed at fostering progress in algorithmic and logical reasoning in RL. PUZZLES contains 40 diverse logic puzzles of adjustable sizes and varying levels of complexity; many puzzles also feature a diverse set of additional configuration parameters. The 40 puzzles provide detailed information on the strengths and generalization capabilities of RL agents. Furthermore, we evaluate various RL algorithms on PUZZLES, providing baseline comparisons and demonstrating the potential for future research. All the software, including the environment, is available at https://github.com/ETH-DISCO/rlp.
DAT: Improving Adversarial Robustness via Generative Amplitude Mix-up in Frequency Domain
Venue: Conference NeurIPS 2024
Year: 2024

To protect deep neural networks (DNNs) from adversarial attacks, adversarial training (AT) is developed by incorporating adversarial examples (AEs) into model training. Recent studies show that adversarial attacks disproportionately impact the patterns within the phase of the sample's frequency spectrum -- typically containing crucial semantic information -- more than those in the amplitude, resulting in the model's erroneous categorization of AEs. We find that, by mixing the amplitude of training samples' frequency spectrum with those of distractor images for AT, the model can be guided to focus on phase patterns unaffected by adversarial perturbations. As a result, the model's robustness can be improved. Unfortunately, it is still challenging to select appropriate distractor images, which should mix the amplitude without affecting the phase patterns. To this end, in this paper, we propose an optimized Adversarial Amplitude Generator (AAG) to achieve a better tradeoff between improving the model's robustness and retaining phase patterns. Based on this generator, together with an efficient AE production procedure, we design a new Dual Adversarial Training (DAT) strategy. Experiments on various datasets show that our proposed DAT leads to significantly improved robustness against diverse adversarial attacks.
STaRK: Benchmarking LLM Retrieval on Textual and Relational Knowledge Bases
Venue: Conference NeurIPS 2024
Year: 2024

Answering real-world complex queries, such as complex product search, often requires accurate retrieval from semi-structured knowledge bases that involve blend of unstructured (e.g., textual descriptions of products) and structured (e.g., entity relations of products) information. However, many previous works studied textual and relational retrieval tasks as separate topics. To address the gap, we develop STARK, a large-scale Semi-structure retrieval benchmark on Textual and Relational Knowledge Bases. Our benchmark covers three domains: product search, academic paper search, and queries in precision medicine. We design a novel pipeline to synthesize realistic user queries that integrate diverse relational information and complex textual properties, together with their ground-truth answers (items). We conduct rigorous human evaluation to validate the quality of our synthesized queries. We further enhance the benchmark with high-quality human-generated queries to provide an authentic reference. STARK serves as a comprehensive testbed for evaluating the performance of retrieval systems driven by large language models (LLMs). Our experiments suggest that STARK presents significant challenges to the current retrieval and LLM systems, highlighting the need for more capable semi-structured retrieval systems. The benchmark data and code are available on https://github.com/snap-stanford/STaRK.
Demystify Mamba in Vision: A Linear Attention Perspective
Venue: Conference NeurIPS 2024
Year: 2024

Mamba is an effective state space model with linear computation complexity. It has recently shown impressive efficiency in dealing with high-resolution inputs across various vision tasks. In this paper, we reveal that the powerful Mamba model shares surprising similarities with linear attention Transformer, which typically underperform conventional Transformer in practice. By exploring the similarities and disparities between the effective Mamba and subpar linear attention Transformer, we provide comprehensive analyses to demystify the key factors behind Mamba's success. Specifically, we reformulate the selective state space model and linear attention within a unified formulation, rephrasing Mamba as a variant of linear attention Transformer with six major distinctions: input gate, forget gate, shortcut, no attention normalization, single-head, and modified block design. For each design, we meticulously analyze its pros and cons, and empirically evaluate its impact on model performance in vision tasks. Interestingly, the results highlight the forget gate and block design as the core contributors to Mamba's success, while the other four designs are less crucial. Based on these findings, we propose a Mamba-Inspired Linear Attention (MILA) model by incorporating the merits of these two key designs into linear attention. The resulting model outperforms various vision Mamba models in both image classification and high-resolution dense prediction tasks, while enjoying parallelizable computation and fast inference speed. Code is available at https://github.com/LeapLabTHU/MLLA.
FewViewGS: Gaussian Splatting with Few View Matching and Multi-stage Training
Venue: Conference NeurIPS 2024
Year: 2024

The field of novel view synthesis from images has seen rapid advancements with the introduction of Neural Radiance Fields (NeRF) and more recently with 3D Gaussian Splatting. Gaussian Splatting became widely adopted due to its efficiency and ability to render novel views accurately. While Gaussian Splatting performs well when a sufficient amount of training images are available, its unstructured explicit representation tends to overfit in scenarios with sparse input images, resulting in poor rendering performance. To address this, we present a 3D Gaussian-based novel view synthesis method using sparse input images that can accurately render the scene from the viewpoints not covered by the training images. We propose a multi-stage training scheme with matching-based consistency constraints imposed on the novel views without relying on pre-trained depth estimation or diffusion models. This is achieved by using the matches of the available training images to supervise the generation of the novel views sampled between the training frames with color, geometry, and semantic losses. In addition, we introduce a locality preserving regularization for 3D Gaussians which removes rendering artifacts by preserving the local color structure of the scene. Evaluation on synthetic and real-world datasets demonstrates competitive or superior performance of our method in few-shot novel view synthesis compared to existing state-of-the-art methods.
Automating Data Annotation under Strategic Human Agents: Risks and Potential Solutions
Venue: Conference NeurIPS 2024
Year: 2024

As machine learning (ML) models are increasingly used in social domains to make consequential decisions about humans, they often have the power to reshape data distributions. Humans, as strategic agents, continuously adapt their behaviors in response to the learning system. As populations change dynamically, ML systems may need frequent updates to ensure high performance. However, acquiring high-quality human-annotated samples can be highly challenging and even infeasible in social domains. A common practice to address this issue is using the model itself to annotate unlabeled data samples. This paper investigates the long-term impacts when ML models are retrained with model-annotated samples when they incorporate human strategic responses. We first formalize the interactions between strategic agents and the model and then analyze how they evolve under such dynamic interactions. We find that agents are increasingly likely to receive positive decisions as the model gets retrained, whereas the proportion of agents with positive labels may decrease over time. We thus propose a refined retraining process to stabilize the dynamics. Last, we examine how algorithmic fairness can be affected by these retraining processes and find that enforcing common fairness constraints at every round may not benefit the disadvantaged group in the long run. Experiments on (semi-)synthetic and real data validate the theoretical findings.