OpenRaiser/Intern-Atlas huggingface dataset:
Unsupervised Discovery of Formulas for Mathematical Constants
Venue: Conference NeurIPS 2024
Year: 2024

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for $π$, $\ln(2)$, Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.
Learning-Augmented Algorithms for the Bahncard Problem
Venue: Conference NeurIPS 2024
Year: 2024

In this paper, we study learning-augmented algorithms for the Bahncard problem. The Bahncard problem is a generalization of the ski-rental problem, where a traveler needs to irrevocably and repeatedly decide between a cheap short-term solution and an expensive long-term one with an unknown future. Even though the problem is canonical, only a primal-dual-based learning-augmented algorithm was explicitly designed for it. We develop a new learning-augmented algorithm, named PFSUM, that incorporates both history and short-term future to improve online decision making. We derive the competitive ratio of PFSUM as a function of the prediction error and conduct extensive experiments to show that PFSUM outperforms the primal-dual-based algorithm.
Decision-Making Behavior Evaluation Framework for LLMs under Uncertain Context
Venue: Conference NeurIPS 2024
Year: 2024

When making decisions under uncertainty, individuals often deviate from rational behavior, which can be evaluated across three dimensions: risk preference, probability weighting, and loss aversion. Given the widespread use of large language models (LLMs) in decision-making processes, it is crucial to assess whether their behavior aligns with human norms and ethical expectations or exhibits potential biases. Several empirical studies have investigated the rationality and social behavior performance of LLMs, yet their internal decision-making tendencies and capabilities remain inadequately understood. This paper proposes a framework, grounded in behavioral economics, to evaluate the decision-making behaviors of LLMs. Through a multiple-choice-list experiment, we estimate the degree of risk preference, probability weighting, and loss aversion in a context-free setting for three commercial LLMs: ChatGPT-4.0-Turbo, Claude-3-Opus, and Gemini-1.0-pro. Our results reveal that LLMs generally exhibit patterns similar to humans, such as risk aversion and loss aversion, with a tendency to overweight small probabilities. However, there are significant variations in the degree to which these behaviors are expressed across different LLMs. We also explore their behavior when embedded with socio-demographic features, uncovering significant disparities. For instance, when modeled with attributes of sexual minority groups or physical disabilities, Claude-3-Opus displays increased risk aversion, leading to more conservative choices. These findings underscore the need for careful consideration of the ethical implications and potential biases in deploying LLMs in decision-making scenarios. Therefore, this study advocates for developing standards and guidelines to ensure that LLMs operate within ethical boundaries while enhancing their utility in complex decision-making environments.
Copycats: the many lives of a publicly available medical imaging dataset
Venue: Conference NeurIPS 2024
Year: 2024

Medical Imaging (MI) datasets are fundamental to artificial intelligence in healthcare. The accuracy, robustness, and fairness of diagnostic algorithms depend on the data (and its quality) used to train and evaluate the models. MI datasets used to be proprietary, but have become increasingly available to the public, including on community-contributed platforms (CCPs) like Kaggle or HuggingFace. While open data is important to enhance the redistribution of data's public value, we find that the current CCP governance model fails to uphold the quality needed and recommended practices for sharing, documenting, and evaluating datasets. In this paper, we conduct an analysis of publicly available machine learning datasets on CCPs, discussing datasets' context, and identifying limitations and gaps in the current CCP landscape. We highlight differences between MI and computer vision datasets, particularly in the potentially harmful downstream effects from poor adoption of recommended dataset management practices. We compare the analyzed datasets across several dimensions, including data sharing, data documentation, and maintenance. We find vague licenses, lack of persistent identifiers and storage, duplicates, and missing metadata, with differences between the platforms. Our research contributes to efforts in responsible data curation and AI algorithms for healthcare.
Exclusively Penalized Q-learning for Offline Reinforcement Learning
Venue: Conference NeurIPS 2024
Year: 2024

Constraint-based offline reinforcement learning (RL) involves policy constraints or imposing penalties on the value function to mitigate overestimation errors caused by distributional shift. This paper focuses on a limitation in existing offline RL methods with penalized value function, indicating the potential for underestimation bias due to unnecessary bias introduced in the value function. To address this concern, we propose Exclusively Penalized Q-learning (EPQ), which reduces estimation bias in the value function by selectively penalizing states that are prone to inducing estimation errors. Numerical results show that our method significantly reduces underestimation bias and improves performance in various offline control tasks compared to other offline RL methods
Approximating the Top Eigenvector in Random Order Streams
Venue: Conference NeurIPS 2024
Year: 2024

When rows of an $n \times d$ matrix $A$ are given in a stream, we study algorithms for approximating the top eigenvector of the matrix ${A}^TA$ (equivalently, the top right singular vector of $A$). We consider worst case inputs $A$ but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter $R = σ_1(A)^2/σ_2(A)^2 = Ω(1)$, then there is a randomized algorithm that uses $O(h \cdot d \cdot \operatorname{polylog}(d))$ bits of space and outputs a unit vector $v$ that has a correlation $1 - O(1/\sqrt{R})$ with the top eigenvector $v_1$. Here $h$ denotes the number of \emph{heavy rows} in the matrix, defined as the rows with Euclidean norm at least $\|{A}\|_F/\sqrt{d \cdot \operatorname{polylog}(d)}$. We also provide a lower bound showing that any algorithm using $O(hd/R)$ bits of space can obtain at most $1 - Ω(1/R^2)$ correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the $R = Ω(\log n \cdot \log d)$ requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to $R = Ω(\log^2 d)$ for arbitrary order streams and $R = Ω(\log d)$ for random order streams. The requirement of $R = Ω(\log d)$ for random order streams is nearly tight for their analysis as we obtain a simple instance with $R = Ω(\log d/\log\log d)$ for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector $v_1$.
Bridging The Gap between Low-rank and Orthogonal Adaptation via Householder Reflection Adaptation
Venue: Conference NeurIPS 2024
Year: 2024

While following different technical routes, both low-rank and orthogonal adaptation techniques can efficiently adapt large-scale pre-training models in specific tasks or domains based on a small piece of trainable parameters. In this study, we bridge the gap between these two techniques, proposing a simple but effective adaptation method based on Householder reflections. Given a pre-trained model, our method fine-tunes its layers by multiplying each frozen weight matrix with an orthogonal matrix constructed by a chain of learnable Householder reflections (HRs). This HR-based orthogonal fine-tuning is equivalent to an adaptive low-rank adaptation. Moreover, we show that the orthogonality of the reflection planes corresponding to the HRs impacts the model capacity and regularity. The analysis motivates us to regularize the orthogonality of the HRs, leading to different implementations of the proposed Householder reflection adaptation (HRA) method. Compared with state-of-the-art methods, HRA achieves superior performance with fewer learnable parameters when adapting large language models and conditional image generators. The code of the experiments is available at \url{https://github.com/DaShenZi721/HRA}, and the method has been merged into the \href{https://github.com/huggingface/peft}{PEFT} package.
Buffer of Thoughts: Thought-Augmented Reasoning with Large Language Models
Venue: Conference NeurIPS 2024
Year: 2024

We introduce Buffer of Thoughts (BoT), a novel and versatile thought-augmented reasoning approach for enhancing accuracy, efficiency and robustness of large language models (LLMs). Specifically, we propose meta-buffer to store a series of informative high-level thoughts, namely thought-template, distilled from the problem-solving processes across various tasks. Then for each problem, we retrieve a relevant thought-template and adaptively instantiate it with specific reasoning structures to conduct efficient reasoning. To guarantee the scalability and stability, we further propose buffer-manager to dynamically update the meta-buffer, thus enhancing the capacity of meta-buffer as more tasks are solved. We conduct extensive experiments on 10 challenging reasoning-intensive tasks, and achieve significant performance improvements over previous SOTA methods: 11% on Game of 24, 20% on Geometric Shapes and 51% on Checkmate-in-One. Further analysis demonstrate the superior generalization ability and model robustness of our BoT, while requiring only 12% of the cost of multi-query prompting methods (e.g., tree/graph of thoughts) on average. Notably, we find that our Llama3-8B+BoT has the potential to surpass Llama3-70B model. Our project is available at: https://github.com/YangLing0818/buffer-of-thought-llm
CharXiv: Charting Gaps in Realistic Chart Understanding in Multimodal LLMs
Venue: Conference NeurIPS 2024
Year: 2024

Chart understanding plays a pivotal role when applying Multimodal Large Language Models (MLLMs) to real-world tasks such as analyzing scientific papers or financial reports. However, existing datasets often focus on oversimplified and homogeneous charts with template-based questions, leading to an over-optimistic measure of progress. We demonstrate that although open-source models can appear to outperform strong proprietary models on these benchmarks, a simple stress test with slightly different charts or questions can deteriorate performance by up to 34.5%. In this work, we propose CharXiv, a comprehensive evaluation suite involving 2,323 natural, challenging, and diverse charts from arXiv papers. CharXiv includes two types of questions: 1) descriptive questions about examining basic chart elements and 2) reasoning questions that require synthesizing information across complex visual elements in the chart. To ensure quality, all charts and questions are handpicked, curated, and verified by human experts. Our results reveal a substantial, previously underestimated gap between the reasoning skills of the strongest proprietary model (i.e., GPT-4o), which achieves 47.1% accuracy, and the strongest open-source model (i.e., InternVL Chat V1.5), which achieves 29.2%. All models lag far behind human performance of 80.5%, underscoring weaknesses in the chart understanding capabilities of existing MLLMs. We hope CharXiv facilitates future research on MLLM chart understanding by providing a more realistic and faithful measure of progress. Project page and leaderboard: https://charxiv.github.io/
SAFE: Slow and Fast Parameter-Efficient Tuning for Continual Learning with Pre-Trained Models
Venue: Conference NeurIPS 2024
Year: 2024

Continual learning aims to incrementally acquire new concepts in data streams while resisting forgetting previous knowledge. With the rise of powerful pre-trained models (PTMs), there is a growing interest in training incremental learning systems using these foundation models, rather than learning from scratch. Existing works often view PTMs as a strong initial point and directly apply parameter-efficient tuning (PET) in the first session for adapting to downstream tasks. In the following sessions, most methods freeze model parameters for tackling forgetting issues. However, applying PET directly to downstream data cannot fully explore the inherent knowledge in PTMs. Additionally, freezing the parameters in incremental sessions hinders models' plasticity to novel concepts not covered in the first session. To solve the above issues, we propose a Slow And Fast parameter-Efficient tuning (SAFE) framework. In particular, to inherit general knowledge from foundation models, we include a transfer loss function by measuring the correlation between the PTM and the PET-applied model. After calibrating in the first session, the slow efficient tuning parameters can capture more informative features, improving generalization to incoming classes. Moreover, to further incorporate novel concepts, we strike a balance between stability and plasticity by fixing slow efficient tuning parameters and continuously updating the fast ones. Specifically, a cross-classification loss with feature alignment is proposed to circumvent catastrophic forgetting. During inference, we introduce an entropy-based aggregation strategy to dynamically utilize the complementarity in the slow and fast learners. Extensive experiments on seven benchmark datasets verify the effectiveness of our method by significantly surpassing the state-of-the-art.
Nonlocal Attention Operator: Materializing Hidden Knowledge Towards Interpretable Physics Discovery
Venue: Conference NeurIPS 2024
Year: 2024

Despite the recent popularity of attention-based neural architectures in core AI fields like natural language processing (NLP) and computer vision (CV), their potential in modeling complex physical systems remains under-explored. Learning problems in physical systems are often characterized as discovering operators that map between function spaces based on a few instances of function pairs. This task frequently presents a severely ill-posed PDE inverse problem. In this work, we propose a novel neural operator architecture based on the attention mechanism, which we coin Nonlocal Attention Operator (NAO), and explore its capability towards developing a foundation physical model. In particular, we show that the attention mechanism is equivalent to a double integral operator that enables nonlocal interactions among spatial tokens, with a data-dependent kernel characterizing the inverse mapping from data to the hidden parameter field of the underlying operator. As such, the attention mechanism extracts global prior information from training data generated by multiple systems, and suggests the exploratory space in the form of a nonlinear kernel map. Consequently, NAO can address ill-posedness and rank deficiency in inverse PDE problems by encoding regularization and achieving generalizability. We empirically demonstrate the advantages of NAO over baseline neural models in terms of generalizability to unseen data resolutions and system states. Our work not only suggests a novel neural operator architecture for learning interpretable foundation models of physical systems, but also offers a new perspective towards understanding the attention mechanism.
Improved Particle Approximation Error for Mean Field Neural Networks
Venue: Conference NeurIPS 2024
Year: 2024

Mean-field Langevin dynamics (MFLD) minimizes an entropy-regularized nonlinear convex functional defined over the space of probability distributions. MFLD has gained attention due to its connection with noisy gradient descent for mean-field two-layer neural networks. Unlike standard Langevin dynamics, the nonlinearity of the objective functional induces particle interactions, necessitating multiple particles to approximate the dynamics in a finite-particle setting. Recent works (Chen et al., 2022; Suzuki et al., 2023b) have demonstrated the uniform-in-time propagation of chaos for MFLD, showing that the gap between the particle system and its mean-field limit uniformly shrinks over time as the number of particles increases. In this work, we improve the dependence on logarithmic Sobolev inequality (LSI) constants in their particle approximation errors, which can exponentially deteriorate with the regularization coefficient. Specifically, we establish an LSI-constant-free particle approximation error concerning the objective gap by leveraging the problem structure in risk minimization. As the application, we demonstrate improved convergence of MFLD, sampling guarantee for the mean-field stationary distribution, and uniform-in-time Wasserstein propagation of chaos in terms of particle complexity.
A Study of Plasticity Loss in On-Policy Deep Reinforcement Learning
Venue: Conference NeurIPS 2024
Year: 2024

Continual learning with deep neural networks presents challenges distinct from both the fixed-dataset and convex continual learning regimes. One such challenge is plasticity loss, wherein a neural network trained in an online fashion displays a degraded ability to fit new tasks. This problem has been extensively studied in both supervised learning and off-policy reinforcement learning (RL), where a number of remedies have been proposed. Still, plasticity loss has received less attention in the on-policy deep RL setting. Here we perform an extensive set of experiments examining plasticity loss and a variety of mitigation methods in on-policy deep RL. We demonstrate that plasticity loss is pervasive under domain shift in this regime, and that a number of methods developed to resolve it in other settings fail, sometimes even performing worse than applying no intervention at all. In contrast, we find that a class of ``regenerative'' methods are able to consistently mitigate plasticity loss in a variety of contexts, including in gridworld tasks and more challenging environments like Montezuma's Revenge and ProcGen.
On the Surprising Effectiveness of Attention Transfer for Vision Transformers
Venue: Conference NeurIPS 2024
Year: 2024

Conventional wisdom suggests that pre-training Vision Transformers (ViT) improves downstream performance by learning useful representations. Is this actually true? We investigate this question and find that the features and representations learned during pre-training are not essential. Surprisingly, using only the attention patterns from pre-training (i.e., guiding how information flows between tokens) is sufficient for models to learn high quality features from scratch and achieve comparable downstream performance. We show this by introducing a simple method called attention transfer, where only the attention patterns from a pre-trained teacher ViT are transferred to a student, either by copying or distilling the attention maps. Since attention transfer lets the student learn its own features, ensembling it with a fine-tuned teacher also further improves accuracy on ImageNet. We systematically study various aspects of our findings on the sufficiency of attention maps, including distribution shift settings where they underperform fine-tuning. We hope our exploration provides a better understanding of what pre-training accomplishes and leads to a useful alternative to the standard practice of fine-tuning
Chat-Scene: Bridging 3D Scene and Large Language Models with Object Identifiers
Venue: Conference NeurIPS 2024
Year: 2024

Recent advancements in 3D Large Language Models (LLMs) have demonstrated promising capabilities for 3D scene understanding. However, previous methods exhibit deficiencies in general referencing and grounding capabilities for intricate scene comprehension. In this paper, we introduce the use of object identifiers and object-centric representations to interact with scenes at the object level. Specifically, we decompose the input 3D scene into a set of object proposals, each assigned a unique identifier token, which enables efficient object referencing and grounding during user-assistant interactions. Given the scarcity of scene-language data, we model the scene embeddings as a sequence of explicit object-level embeddings, derived from semantic-rich 2D or 3D representations. By employing object identifiers, we transform diverse 3D scene-language tasks into a unified question-answering format, facilitating joint training without the need for additional task-specific heads. With minimal fine-tuning on all downstream tasks, our model significantly outperforms existing methods on benchmarks including ScanRefer, Multi3DRefer, Scan2Cap, ScanQA, and SQA3D.
Scaling Sign Language Translation
Venue: Conference NeurIPS 2024
Year: 2024

Sign language translation (SLT) addresses the problem of translating information from a sign language in video to a spoken language in text. Existing studies, while showing progress, are often limited to narrow domains and/or few sign languages and struggle with open-domain tasks. In this paper, we push forward the frontier of SLT by scaling pretraining data, model size, and number of translation directions. We perform large-scale SLT pretraining on different data including 1) noisy multilingual YouTube SLT data, 2) parallel text corpora, and 3) SLT data augmented by translating video captions to other languages with off-the-shelf machine translation models. We unify different pretraining tasks with task-specific prompts under the encoder-decoder architecture, and initialize the SLT model with pretrained (m/By)T5 models across model sizes. SLT pretraining results on How2Sign and FLEURS-ASL#0 (ASL to 42 spoken languages) demonstrate the significance of data/model scaling and cross-lingual cross-modal transfer, as well as the feasibility of zero-shot SLT. We finetune the pretrained SLT models on 5 downstream open-domain SLT benchmarks covering 5 sign languages. Experiments show substantial quality improvements over the vanilla baselines, surpassing the previous state-of-the-art (SOTA) by wide margins.