mtybilly/Instruct2DS huggingface dataset:
Towards Estimating Bounds on the Effect of Policies under Unobserved Confounding
Authors: Silvia Chiappa Alexis Bellot
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: As many practical fields transition to provide personalized decisions, data is increasingly relevant to support the evaluation of candidate plans and policies (e.g., guidelines for the treatment of disease, government directives, etc.). In the machine learning literature, significant efforts have been put into developing machinery to predict the effectiveness of policies efficiently. The challenge is that, in practice, the effectiveness of a candidate policy is not always identifiable, i.e., not uniquely estimable from the combination of the available data and assumptions about the domain at hand (e.g., encoded in a causal graph). In this paper, we develop graphical characterizations and estimation tools to bound the effect of policies given a causal graph and observational data collected in non-identifiable settings. Specifically, our contributions are two-fold: (1) we derive analytical bounds for general probabilistic and conditional policies that are tighter than existing results, (2) we develop an estimation framework to estimate bounds from finite samples, applicable in higher-dimensional spaces and continuously-valued data. We further show that the resulting estimators have favourable statistical properties such as fast convergence and robustness to model misspecification.
Carrot and Stick: Eliciting Comparison Data and Beyond
Authors: Shi Feng, Fang-Yi Yu Yiling Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Comparison data elicited from people are fundamental to many machine learning tasks, including reinforcement learning from human feedback for large language models and estimating ranking models. They are typically subjective and not directly verifiable. How to truthfully elicit such comparison data from rational individuals? We design peer prediction mechanisms for eliciting comparison data using a bonus-penalty payment. Our design leverages on the strong stochastic transitivity for comparison data to create symmetrically strongly truthful mechanisms such that truth-telling 1) forms a strict Bayesian Nash equilibrium, and 2) yields the highest payment among all symmetric equilibria. Each individual only needs to evaluate one pair of items and report her comparison in our mechanism.We further extend the bonus-penalty payment concept to eliciting networked data, designing a symmetrically strongly truthful mechanism when agents’ private signals are sampled according to the Ising models. We provide the necessary and sufficient conditions for our bonus-penalty payment to have truth-telling as a strict Bayesian Nash equilibrium. Experiments on two real-world datasets further support our theoretical discoveries.
Dimension-free deterministic equivalents and scaling laws for random feature regression
Authors: Bruno Loureiro, Theodor Misiakiewicz Leonardo Defilippis
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this work we investigate the generalization performance of random feature ridge regression (RFRR). Our main contribution is a general deterministic equivalent for the test error of RFRR. Specifically, under a certain concentration property, we show that the test error is well approximated by a closed-form expression that only depends on the feature map eigenvalues. Notably, our approximation guarantee is non-asymptotic, multiplicative, and independent of the feature map dimension---allowing for infinite-dimensional features. We expect this deterministic equivalent to hold broadly beyond our theoretical analysis, and we empirically validate its predictions on various real and synthetic datasets. As an application, we derive sharp excess error rates under standard power-law assumptions of the spectrum and target decay. In particular, we provide a tight result for the smallest number of features achieving optimal minimax error rate.
M3LEO: A Multi-Modal, Multi-Label Earth Observation Dataset Integrating Interferometric SAR and Multispectral Data
Authors: Francisco Dorr, Joseph A. Gallego-Mejia, Laura Martínez-Ferrer, Anna Jungbluth, Freddie Kalaitzis, Raúl Ramos-Pollán Matt Allen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Satellite-based remote sensing has revolutionised the way we address global challenges in a rapidly evolving world. Huge quantities of Earth Observation (EO) data are generated by satellite sensors daily, but processing these large datasets for use in ML pipelines is technically and computationally challenging. Specifically, different types of EO data are often hosted on a variety of platforms, withdiffering degrees of availability for Python preprocessing tools. In addition, spatial alignment across data sources and data tiling for easier handling can present significant technical hurdles for novice users. While some preprocessed Earth observation datasets exist, their content is often limited to optical or near-optical wavelength data, which is ineffective at night or in adverse weather conditions.Synthetic Aperture Radar (SAR), an active sensing technique based on microwave length radiation, offers a viable alternative. However, the application of machine learning to SAR has been limited due to a lack of ML-ready data and pipelines, particularly for the full diversity of SAR data, including polarimetry, coherence and interferometry. In this work, we introduce M3LEO, a multi-modal, multi-labelEarth observation dataset that includes polarimetric, interferometric, and coherence SAR data derived from Sentinel-1, alongside multispectral Sentinel-2 imagery and a suite of auxiliary data describing terrain properties such as land use. M3LEO spans approximately 17M data chips, each measuring 4x4 km, across six diverse geographic regions. The dataset is complemented by a flexible PyTorch Lightning framework, with configuration management using Hydra, to accommodate its use across diverse ML applications in Earth observation. Additionally, we provide tools to process any dataset available on popular platforms such as Google Earth Engine for seamless integration with our framework. We show that the distribution shift in self-supervised embeddings is substantial across geographic regions, even when controlling for terrain properties. Data is available at huggingface.co/M3LEO, and code at github.com/spaceml-org/M3LEO.
Metric from Human: Zero-shot Monocular Metric Depth Estimation via Test-time Adaptation
Authors: Hengwei Bian, Kaihua Chen, Pengliang Ji, Liao Qu, Shao-yu Lin, Weichen Yu, Haoran Li, Hao Chen, Jun Shen, Bhiksha Raj, Min Xu Yizhou Zhao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Monocular depth estimation (MDE) is fundamental for deriving 3D scene structures from 2D images. While state-of-the-art monocular relative depth estimation (MRDE) excels in estimating relative depths for in-the-wild images, current monocular metric depth estimation (MMDE) approaches still face challenges in handling unseen scenes. Since MMDE can be viewed as the composition of MRDE and metric scale recovery, we attribute this difficulty to scene dependency, where MMDE models rely on scenes observed during supervised training for predicting scene scales during inference. To address this issue, we propose to use humans as landmarks for distilling scene-independent metric scale priors from generative painting models. Our approach, Metric from Human (MfH), bridges from generalizable MRDE to zero-shot MMDE in a generate-and-estimate manner. Specifically, MfH generates humans on the input image with generative painting and estimates human dimensions with an off-the-shelf human mesh recovery (HMR) model. Based on MRDE predictions, it propagates the metric information from painted humans to the contexts, resulting in metric depth estimations for the original input. Through this annotation-free test-time adaptation, MfH achieves superior zero-shot performance in MMDE, demonstrating its strong generalization ability.
Universal Neural Functionals
Authors: Chelsea Finn, James Harrison Allan Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize.
NovoBench: Benchmarking Deep Learning-based \emph{De Novo} Sequencing Methods in Proteomics
Authors: Shaorong Chen, Jun Xia, Sizhe Liu, Tianze Ling, Wenjie Du, Yue Liu, Jianwei Yin, Stan Z. Li Jingbo Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the analysis of protein composition in biological tissues. Many deep learning methods have been developed for \emph{de novo} peptide sequencing task, i.e., predicting the peptide sequence for the observed mass spectrum. However, two key challenges seriously hinder the further research of this important task. Firstly, since there is no consensus for the evaluation datasets, the empirical results in different research papers are often not comparable, leading to unfair comparison. Secondly, the current methods are usually limited to amino acid-level or peptide-level precision and recall metrics. In this work, we present the first unified benchmark NovoBench for \emph{de novo} peptide sequencing, which comprises diverse mass spectrum data, integrated models, and comprehensive evaluation metrics. Recent impressive methods, including DeepNovo, PointNovo, Casanovo, InstaNovo, AdaNovo and $\pi$-HelixNovo are integrated into our framework. In addition to amino acid-level and peptide-level precision and recall, we also evaluate the models' performance in terms of identifying post-tranlational modifications (PTMs), efficiency and robustness to peptide length, noise peaks and missing fragment ratio, which are important influencing factors while seldom be considered. Leveraging this benchmark, we conduct a large-scale study of current methods, report many insightful findings that open up new possibilities for future development. The benchmark is open-sourced to facilitate future research and application. The code is available at \url{https://github.com/Westlake-OmicsAI/NovoBench}.
GVKF: Gaussian Voxel Kernel Functions for Highly Efficient Surface Reconstruction in Open Scenes
Authors: Chong Cheng, Hao Wang Gaochao Song
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper we present a novel method for efficient and effective 3D surface reconstruction in open scenes. Existing Neural Radiance Fields (NeRF) based works typically require extensive training and rendering time due to the adopted implicit representations. In contrast, 3D Gaussian splatting (3DGS) uses an explicit and discrete representation, hence the reconstructed surface is built by the huge number of Gaussian primitives, which leads to excessive memory consumption and rough surface details in sparse Gaussian areas.To address these issues, we propose Gaussian Voxel Kernel Functions (GVKF), which establish a continuous scene representation based on discrete 3DGS through kernel regression. The GVKF integrates fast 3DGS rasterization and highly effective scene implicit representations, achieving high-fidelity open scene surface reconstruction. Experiments on challenging scene datasets demonstrate the efficiency and effectiveness of our proposed GVKF, featuring with high reconstruction quality, real-time rendering speed, significant savings in storage and training memory consumption.
LCM: Locally Constrained Compact Point Cloud Model for Masked Point Modeling
Authors: Naiqi Li, Yanzi Wang, Tao Dai, Hang Guo, Bin Chen, Zhi Wang, Zhihao Ouyang, Shu-Tao Xia Yaohua Zha
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The pre-trained point cloud model based on Masked Point Modeling (MPM) has exhibited substantial improvements across various tasks. However, these models heavily rely on the Transformer, leading to quadratic complexity and limited decoder, hindering their practice application. To address this limitation, we first conduct a comprehensive analysis of existing Transformer-based MPM, emphasizing the idea that redundancy reduction is crucial for point cloud analysis. To this end, we propose a Locally constrained Compact point cloud Model (LCM) consisting of a locally constrained compact encoder and a locally constrained Mamba-based decoder. Our encoder replaces self-attention with our local aggregation layers to achieve an elegant balance between performance and efficiency. Considering the varying information density between masked and unmasked patches in the decoder inputs of MPM, we introduce a locally constrained Mamba-based decoder. This decoder ensures linear complexity while maximizing the perception of point cloud geometry information from unmasked patches with higher information density. Extensive experimental results show that our compact model significantly surpasses existing Transformer-based models in both performance and efficiency, especially our LCM-based Point-MAE model, compared to the Transformer-based model, achieved an improvement of 1.84%, 0.67%, and 0.60% in performance on the three variants of ScanObjectNN while reducing parameters by 88% and computation by 73%. The code is available at https://github.com/zyh16143998882/LCM.
Disentangled Representation Learning in Non-Markovian Causal Systems
Authors: Yushu Pan, Elias Bareinboim Adam Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Considering various data modalities, such as images, videos, and text, humans perform causal reasoning using high-level causal variables, as opposed to operating at the low, pixel level from which the data comes. In practice, most causal reasoning methods assume that the data is described as granular as the underlying causal generative factors, which is often violated in various AI tasks. This mismatch translates into a lack of guarantees in various tasks such as generative modeling, decision-making, fairness, and generalizability, to cite a few. In this paper, we acknowledge this issue and study the problem of causal disentangled representation learning from a combination of data gathered from various heterogeneous domains and assumptions in the form of a latent causal graph. To the best of our knowledge, the proposed work is the first to consider i) non-Markovian causal settings, where there may be unobserved confounding, ii) arbitrary distributions that arise from multiple domains, and iii) a relaxed version of disentanglement. Specifically, we introduce graphical criteria that allow for disentanglement under various conditions. Building on these results, we develop an algorithm that returns a causal disentanglement map, highlighting which latent variables can be disentangled given the combination of data and assumptions. The theory is corroborated by experiments.
Generalization Analysis for Label-Specific Representation Learning
Authors: Min-Ling Zhang Yi-Fan Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Label-specific representation learning (LSRL), i.e., constructing the representation with specific discriminative properties for each class label, is an effective strategy to improve the performance of multi-label learning. However, the generalization analysis of LSRL is still in its infancy. The existing theory bounds for multi-label learning, which preserve the coupling among different components, are invalid for LSRL. In an attempt to overcome this challenge and make up for the gap in the generalization theory of LSRL, we develop a novel vector-contraction inequality and derive the generalization bound for general function class of LSRL with a weaker dependency on the number of labels than the state of the art. In addition, we derive generalization bounds for typical LSRL methods, and these theoretical results reveal the impact of different label-specific representations on generalization analysis. The mild bounds without strong assumptions explain the good generalization ability of LSRL.
GOMAA-Geo: GOal Modality Agnostic Active Geo-localization
Authors: Srikumar Sastry, Aleksis Pirinen, Chongjie Zhang, Nathan Jacobs, Yevgeniy Vorobeychik Anindya Sarkar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider the task of active geo-localization (AGL) in which an agent uses a sequence of visual cues observed during aerial navigation to find a target specified through multiple possible modalities. This could emulate a UAV involved in a search-and-rescue operation navigating through an area, observing a stream of aerial images as it goes. The AGL task is associated with two important challenges.  Firstly, an agent must deal with a goal specification in one of multiple modalities (e.g., through a natural language description) while the search cues are provided in other modalities (aerial imagery). The second challenge is limited localization time (e.g., limited battery life, urgency) so that the goal must be localized as efficiently as possible, i.e. the agent must effectively leverage its sequentially observed aerial views when searching for the goal. To address these challenges, we propose GOMAA-Geo -- a goal modality agnostic active geo-localization agent -- for zero-shot generalization between different goal modalities. Our approach combines cross-modality contrastive learning to align representations across modalities with supervised foundation model pretraining and reinforcement learning to obtain highly effective navigation and localization policies. Through extensive evaluations, we show that GOMAA-Geo outperforms alternative learnable approaches and that it generalizes across datasets -- e.g., to disaster-hit areas without seeing a single disaster scenario during training -- and goal modalities -- e.g., to ground-level imagery or textual descriptions, despite only being trained with goals specified as aerial views. Our code is available at: https://github.com/mvrl/GOMAA-Geo.
PURE: Prompt Evolution with Graph ODE for Out-of-distribution Fluid Dynamics Modeling
Authors: Changhu Wang, Fan Xu, Jinbao Xue, Chong Chen, Xian-Sheng Hua, Xiao Luo Hao Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This work studies the problem of out-of-distribution fluid dynamics modeling. Previous works usually design effective neural operators to learn from mesh-based data structures. However, in real-world applications, they would suffer from distribution shifts from the variance of system parameters and temporal evolution of the dynamical system. In this paper, we propose a novel approach named \underline{P}rompt Evol\underline{u}tion with G\underline{r}aph OD\underline{E} (\method{}) for out-of-distribution fluid dynamics modeling. The core of our \method{} is to learn time-evolving prompts using a graph ODE to adapt spatio-temporal forecasting models to different scenarios. In particular, our \method{} first learns from historical observations and system parameters in the frequency domain to explore multi-view context information, which could effectively initialize prompt embeddings. More importantly, we incorporate the interpolation of observation sequences into a graph ODE, which can capture the temporal evolution of prompt embeddings for model adaptation. These time-evolving prompt embeddings are then incorporated into basic forecasting models to overcome temporal distribution shifts. We also minimize the mutual information between prompt embeddings and observation embeddings to enhance the robustness of our model to different distributions. Extensive experiments on various benchmark datasets validate the superiority of the proposed \method{} in comparison to various baselines.
Reconstruction Attacks on Machine Unlearning: Simple Models are Vulnerable
Authors: Shuai Tang, Michael Kearns, Jamie Morgenstern, Aaron Roth, Zhiwei Steven Wu Martin Bertran
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Machine unlearning is motivated by principles of data autonomy. The premise is that a person can request to have their data's influence removed from deployed models, and those models should be updated as if they were retrained without the person's data. We show that these updates expose individuals to high-accuracy reconstruction attacks which allow the attacker to recover their data in its entirety, even when the original models are so simple that privacy risk might not otherwise have been a concern. We show how to mount a near-perfect attack on the deleted data point from linear regression models. We then generalize our attack to other loss functions and architectures,  and empirically demonstrate the effectiveness of our attacks across a wide range of datasets (capturing both tabular and image data). Our work highlights that privacy risk is significant even for extremely simple model classes when individuals can request deletion of their data from the model.
Consistency Purification: Effective and Efficient Diffusion Purification towards Certified Robustness
Authors: Zhongzhu Chen, Kun Jin, Jiongxiao Wang, Jiachen Lei, Bo Li, Chaowei Xiao Yiquan Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion Purification, purifying noised images with diffusion models, has been widely used for enhancing certified robustness via randomized smoothing. However, existing frameworks often grapple with the balance between efficiency and effectiveness. While the Denoising Diffusion Probabilistic Model (DDPM) offers an efficient single-step purification, it falls short in ensuring purified images reside on the data manifold. Conversely, the Stochastic Diffusion Model effectively places purified images on the data manifold but demands solving cumbersome stochastic differential equations, while its derivative, the Probability Flow Ordinary Differential Equation (PF-ODE), though solving simpler ordinary differential equations, still requires multiple computational steps. In this work, we demonstrated that an ideal purification pipeline should generate the purified images on the data manifold that are as much semantically aligned to the original images for effectiveness in one step for efficiency. Therefore, we introduced Consistency Purification, an efficiency-effectiveness Pareto superior purifier compared to the previous work. Consistency Purification employs the consistency model, a one-step generative model distilled from PF-ODE, thus can generate on-manifold purified images with a single network evaluation. However, the consistency model is designed not for purification thus it does not inherently ensure semantic alignment between purified and original images. To resolve this issue, we further refine it through Consistency Fine-tuning with LPIPS loss, which enables more aligned semantic meaning while keeping the purified images on data manifold. Our comprehensive experiments demonstrate that our Consistency Purification framework achieves state-of-the-art certified robustness and efficiency compared to baseline methods.
Quantifying Aleatoric Uncertainty of the Treatment Effect: A Novel Orthogonal Learner
Authors: Stefan Feuerriegel, Mihaela van der Schaar Valentyn Melnychuk
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Estimating causal quantities from observational data is crucial for understanding the safety and effectiveness of medical treatments. However, to make reliable inferences, medical practitioners require not only estimating averaged causal quantities, such as the conditional average treatment effect, but also understanding the randomness of the treatment effect as a random variable. This randomness is referred to as aleatoric uncertainty and is necessary for understanding the probability of benefit from treatment or quantiles of the treatment effect. Yet, the aleatoric uncertainty of the treatment effect has received surprisingly little attention in the causal machine learning community. To fill this gap, we aim to quantify the aleatoric uncertainty of the treatment effect at the covariate-conditional level, namely, the conditional distribution of the treatment effect (CDTE). Unlike average causal quantities, the CDTE is not point identifiable without strong additional assumptions. As a remedy, we employ partial identification to obtain sharp bounds on the CDTE and thereby quantify the aleatoric uncertainty of the treatment effect. We then develop a novel, orthogonal learner for the bounds on the CDTE, which we call AU-learner. We further show that our AU-learner has several strengths in that it satisfies Neyman-orthogonality and, thus, quasi-oracle efficiency. Finally, we propose a fully-parametric deep learning instantiation of our AU-learner.
FAST: A Dual-tier Few-Shot Learning Paradigm for Whole Slide Image Classification
Authors: Xiaoyuan Luo, Linhao Qu, Shuo Wang, Ying Xiong, Ilias Maglogiannis, Longxiang Gao, Manning Wang Kexue Fu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The expensive fine-grained annotation and data scarcity   have become the primary obstacles for the widespread adoption of deep learning-based Whole Slide Images (WSI) classification algorithms in clinical practice. Unlike few-shot learning methods in natural images that can leverage the labels of each image, existing few-shot WSI classification methods only utilize a small number of fine-grained labels or weakly supervised slide labels for training in order to avoid expensive fine-grained annotation. They lack sufficient mining of available WSIs, severely limiting WSI classification performance. To address the above issues, we propose a novel and efficient dual-tier few-shot learning paradigm for WSI classification, named FAST. FAST consists of a dual-level annotation strategy and a dual-branch classification framework. Firstly, to avoid expensive fine-grained annotation, we collect a very small number of WSIs at the slide level, and annotate an extremely small number of patches. Then, to fully mining the available WSIs, we use all the patches and available patch labels to build a cache branch, which utilizes the labeled patches to learn the labels of unlabeled patches and through knowledge retrieval for patch classification. In addition to the cache branch, we also construct a prior branch that includes learnable prompt vectors, using the text encoder of visual-language models for patch classification. Finally, we integrate the results from both branches to achieve WSI classification. Extensive experiments on binary and multi-class datasets demonstrate that our proposed method significantly surpasses existing few-shot classification methods and approaches the accuracy of fully supervised methods with only 0.22% annotation costs. All codes and models will be publicly available on https://github.com/fukexue/FAST.
Mutual Information Estimation via $f$-Divergence and Data Derangements
Authors: Nicola Novello, Andrea M. Tonello Nunzio A. Letizia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Estimating mutual information accurately is pivotal across diverse applications, from machine learning to communications and biology, enabling us to gain insights into the inner mechanisms of complex systems. Yet, dealing with high-dimensional data presents a formidable challenge, due to its size and the presence of intricate relationships. Recently proposed neural methods employing variational lower bounds on the mutual information have gained prominence. However, these approaches suffer from either high bias or high variance, as the sample size and the structure of the loss function directly influence the training process. In this paper, we propose a novel class of discriminative mutual information estimators based on the variational representation of the $f$-divergence. We investigate the impact of the permutation function used to obtain the marginal training samples and present a novel architectural solution based on derangements. The proposed estimator is flexible since it exhibits an excellent bias/variance trade-off. The comparison with state-of-the-art neural estimators, through extensive experimentation within established reference scenarios, shows that our approach offers higher accuracy and lower complexity.
Synthetic Programming Elicitation for Text-to-Code in Very Low-Resource Programming and Formal Languages
Authors: Justin Wong, Haley Lepe, Sahil Bhatia, Karim Elmaaroufi, George Varghese, Joseph E. González, Elizabeth Polgreen, Sanjit A. Seshia Federico Mora
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advances in large language models (LLMs) for code applications have demonstrated remarkable zero-shot fluency and instruction following on challenging code related tasks ranging from test case generation to self-repair. Unsurprisingly, however, models struggle to compose syntactically valid programs in programming languages unrepresented in pre-training, referred to as very low-resource Programming Languages (VLPLs). VLPLs appear in crucial settings, including domain-specific languages for internal tools, tool-chains for legacy languages, and formal verification frameworks. Inspired by a technique called natural programming elicitation, we propose designing an intermediate language that LLMs ``naturally'' know how to use and which can be automatically compiled to a target VLPL. When LLMs generate code that lies outside of this intermediate language, we use compiler techniques to repair the code into programs in the intermediate language. Overall, we introduce synthetic programming elicitation and compilation (SPEAC), an approach that enables LLMs to generate syntactically valid code even for VLPLs. We empirically evaluate the performance of SPEAC in a case study for the UCLID5 formal verification language and find that, compared to existing retrieval and fine-tuning baselines, SPEAC produces syntactically correct programs more frequently and without sacrificing semantic correctness.
Coarse-to-Fine Concept Bottleneck Models
Authors: Dino Ienco, Diego Marcos Konstantinos P. Panousis
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep learning algorithms have recently gained significant attention due to their impressive performance. However, their high complexity and un-interpretable mode of operation hinders their confident deployment in real-world safety-critical tasks. This work targets ante hoc interpretability, and specifically Concept Bottleneck Models (CBMs). Our goal is to design a framework that admits a highly interpretable decision making process with respect to human understandable concepts, on two levels of granularity. To this end, we propose a novel two-level concept discovery formulation leveraging: (i) recent advances in vision-language models, and (ii) an innovative formulation for coarse-to-fine concept selection via data-driven and sparsity inducing Bayesian arguments. Within this framework, concept information does not solely rely on the similarity between the whole image and general unstructured concepts; instead, we introduce the notion of concept hierarchy to uncover and exploit more granular concept information residing in patch-specific regions of the image scene. As we experimentally show, the proposed construction not only outperforms recent CBM approaches, but also yields a principled framework towards interpetability.
TAIA: Large Language Models are Out-of-Distribution Data Learners
Authors: Yusheng Liao, Ya Zhang, Yanfeng Wang, Yu Wang Shuyang Jiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Fine-tuning on task-specific question-answer pairs is a predominant method for enhancing the performance of instruction-tuned large language models (LLMs) on downstream tasks. However, in certain specialized domains, such as healthcare or harmless content generation, it is nearly impossible to obtain a large volume of high-quality data that matches the downstream distribution. To improve the performance of LLMs in data-scarce domains with domain-mismatched data, we re-evaluated the Transformer architecture and discovered that not all parameter updates during fine-tuning contribute positively to downstream performance. Our analysis reveals that within the self-attention and feed-forward networks, only the fine-tuned attention parameters are particularly beneficial when the training set's distribution does not fully align with the test set. Based on this insight, we propose an effective inference-time intervention method: \uline{T}raining \uline{A}ll parameters but \uline{I}nferring with only \uline{A}ttention (TAIA). We empirically validate TAIA using two general instruction-tuning datasets and evaluate it on seven downstream tasks involving math, reasoning, and knowledge understanding across LLMs of different parameter sizes and fine-tuning techniques. Our comprehensive experiments demonstrate that TAIA achieves superior improvements compared to both the fully fine-tuned model and the base model in most scenarios, with significant performance gains. The high tolerance of TAIA to data mismatches makes it resistant to jailbreaking tuning and enhances specialized tasks using general data. Code is available in \url{https://github.com/pixas/TAIA_LLM}.
The PRISM Alignment Dataset: What Participatory, Representative and Individualised Human Feedback Reveals About the Subjective and Multicultural Alignment of Large Language Models
Authors: Alexander Whitefield, Paul Röttger, Andrew Bean, Katerina Margatina, Juan Ciro, Rafael Mosquera, Max Bartolo, Adina Williams, He He, Bertie Vidgen, Scott A. Hale Hannah Rose Kirk
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Human feedback is central to the alignment of Large Language Models (LLMs). However, open questions remain about the methods (how), domains (where), people (who) and objectives (to what end) of feedback processes. To navigate these questions, we introduce PRISM, a new dataset which maps the sociodemographics and stated preferences of 1,500 diverse participants from 75 countries, to their contextual preferences and fine-grained feedback in 8,011 live conversations with 21 LLMs. With PRISM, we contribute (i) wider geographic and demographic participation in feedback; (ii) census-representative samples for two countries (UK, US); and (iii) individualised ratings that link to detailed participant profiles, permitting personalisation and attribution of sample artefacts. We target subjective and multicultural perspectives on value-laden and controversial issues, where we expect interpersonal and cross-cultural disagreement. We use PRISM in three case studies to demonstrate the need for careful consideration of which humans provide alignment data.
Diffusion of Thought: Chain-of-Thought Reasoning in Diffusion Language Models
Authors: Shansan Gong, Liheng Chen, Lin Zheng, Jiahui Gao, Han Shi, Chuan Wu, Xin Jiang, Zhenguo Li, Wei Bi, Lingpeng Kong Jiacheng Ye
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recently, diffusion models have garnered significant interest in the field of text processing due to their many potential advantages compared to conventional autoregressive models.In this work, we propose Diffusion-of-Thought (DoT),  a novel approach that integrates diffusion models with Chain-of-Thought, a well-established technique for improving the reasoning ability of autoregressive language models. In contrast to autoregressive language models that make decisions in a left-to-right, token-by-token manner, DoT allows reasoning steps to diffuse over time through a diffusion language model and offers greater flexibility in trading-off computation for reasoning performance. Our experimental results demonstrate the effectiveness of DoT in multi-digit multiplication, boolean logic, and grade school math problems. In addition to that, DoT showcases promising self-correction abilities and benefits from existing reasoning-enhancing techniques like self-consistency decoding. Our findings contribute to the understanding and development of reasoning with diffusion language models.
A Polar coordinate system represents syntax in large language models
Authors: Stéphane D'Ascoli, Emmanuel Chemla, Yair Lakretz, Jean-Rémi King Pablo Diego-Simón
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Originally formalized with symbolic representations, syntactic trees may also be effectively represented in the activations of large language models (LLMs). Indeed, a ''Structural Probe'' can find a subspace of neural activations, where syntactically-related words are relatively close to one-another. However, this syntactic code remains incomplete: the distance between the Structural Probe word embeddings can represent the \emph{existence} but not the type and direction of syntactic relations. Here, we hypothesize that syntactic relations are, in fact, coded by the relative direction between nearby embeddings. To test this hypothesis, we introduce a ''Polar Probe'' trained to read syntactic relations from both the distance and the direction between word embeddings. Our approach reveals three main findings. First, our Polar Probe successfully recovers the type and direction of syntactic relations, and substantially outperforms the Structural Probe by nearly two folds. Second, we confirm that this polar coordinate system exists in a low-dimensional subspace of the intermediate layers of many LLMs and becomes increasingly precise in the latest frontier models. Third, we demonstrate with a new benchmark that similar syntactic relations are coded similarly across the nested levels of syntactic trees. Overall, this work shows that LLMs spontaneously learn a geometry of neural activations that explicitly represents the main symbolic structures of linguistic theory.
InterControl: Zero-shot Human Interaction Generation by Controlling Every Joint
Authors: Jingbo Wang, Yixuan Li, Dahua Lin, Bo Dai Zhenzhi Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Text-conditioned motion synthesis has made remarkable progress with the emergence of diffusion models. However, the majority of these motion diffusion models are primarily designed for a single character and overlook multi-human interactions. In our approach, we strive to explore this problem by synthesizing human motion with interactions for a group of characters of any size in a zero-shot manner. The key aspect of our approach is the adaptation of human-wise interactions as pairs of human joints that can be either in contact or separated by a desired distance. In contrast to existing methods that necessitate training motion generation models on multi-human motion datasets with a fixed number of characters, our approach inherently possesses the flexibility to model human interactions involving an arbitrary number of individuals, thereby transcending the limitations imposed by the training data. We introduce a novel controllable motion generation method, InterControl, to encourage the synthesized motions maintaining the desired distance between joint pairs. It consists of a motion controller and an inverse kinematics guidance module that realistically and accurately aligns the joints of synthesized characters to the desired location.  Furthermore, we demonstrate that the distance between joint pairs for human-wise interactions can be generated using an off-the-shelf Large Language Model (LLM). Experimental results highlight the capability of our framework to generate interactions with multiple human characters and its potential to work with off-the-shelf physics-based character simulators. Code is available at https://github.com/zhenzhiwang/intercontrol.
Large Language Model Unlearning
Authors: Xiaojun Xu, YangLiu Yuanshun Yao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study how to perform unlearning, i.e. forgetting undesirable (mis)behaviors, on large language models (LLMs). We show at least three scenarios of aligning LLMs with human preferences can benefit from unlearning: (1) removing harmful responses, (2) erasing copyright-protected content as requested, and (3) reducing hallucinations. Unlearning, as an alignment technique, has three advantages. (1) It only requires negative (e.g. harmful) examples, which are much easier and cheaper to collect (e.g. via red teaming or user reporting) than positive (e.g. helpful and often human-written) examples required in the standard alignment process. (2) It is computationally efficient. (3) It is especially effective when we know which training samples cause the misbehavior. To the best of our knowledge, our work is among the first to explore LLM unlearning. We are also among the first to formulate the settings, goals, and evaluations in LLM unlearning. Despite only having negative samples, our ablation study shows that unlearning can still achieve better alignment performance than RLHF with just 2% of its computational time.
Toward Approaches to Scalability in 3D Human Pose Estimation
Authors: Seong-Whan Lee Jun-Hee Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In the field of 3D Human Pose Estimation (HPE), scalability and generalization across diverse real-world scenarios remain significant challenges. This paper addresses two key bottlenecks to scalability: limited data diversity caused by 'popularity bias' and increased 'one-to-many' depth ambiguity arising from greater pose diversity. We introduce the Biomechanical Pose Generator (BPG), which leverages biomechanical principles, specifically the normal range of motion, to autonomously generate a wide array of plausible 3D poses without relying on a source dataset, thus overcoming the restrictions of popularity bias. To address depth ambiguity, we propose the Binary Depth Coordinates (BDC), which simplifies depth estimation into a binary classification of joint positions (front or back). This method decomposes a 3D pose into three core elements—2D pose, bone length, and binary depth decision—substantially reducing depth ambiguity and enhancing model robustness and accuracy, particularly in complex poses. Our results demonstrate that these approaches increase the diversity and volume of pose data while consistently achieving performance gains, even amid the complexities introduced by increased pose diversity.
Boosting Semi-Supervised Scene Text Recognition via Viewing and Summarizing
Authors: Yuxin Wang, Bangbang Zhou, Zixiao Wang, Hongtao Xie, Yongdong Zhang Yadong Qu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Existing scene text recognition (STR) methods struggle to recognize challenging texts, especially for artistic and severely distorted characters. The limitation lies in the insufficient exploration of character morphologies, including the monotonousness of widely used synthetic training data and the sensitivity of the model to character morphologies. To address these issues, inspired by the human learning process of viewing and summarizing, we facilitate the contrastive learning-based STR framework in a self-motivated manner by leveraging synthetic and real unlabeled data without any human cost. In the viewing process, to compensate for the simplicity of synthetic data and enrich character morphology diversity, we propose an Online Generation Strategy to generate background-free samples with diverse character styles. By excluding background noise distractions, the model is encouraged to focus on character morphology and generalize the ability to recognize complex samples when trained with only simple synthetic data. To boost the summarizing process, we theoretically demonstrate the derivation error in the previous character contrastive loss, which mistakenly causes the sparsity in the intra-class distribution and exacerbates ambiguity on challenging samples. Therefore, a new Character Unidirectional Alignment Loss is proposed to correct this error and unify the representation of the same characters in all samples by aligning the character features in the student model with the reference features in the teacher model. Extensive experiment results show that our method achieves SOTA performance (94.7\% and 70.9\% average accuracy on common benchmarks and Union14M-Benchmark). Code will be available.
Self-Labeling the Job Shop Scheduling Problem
Authors: Angelo Porrello, Simone Calderara, Mauro Dell'Amico Andrea Corsini
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This work proposes a self-supervised training strategy designed for combinatorial problems. An obstacle in applying supervised paradigms to such problems is the need for costly target solutions often produced with exact solvers. Inspired by semi- and self-supervised learning, we show that generative models can be trained by sampling multiple solutions and using the best one according to the problem objective as a pseudo-label. In this way, we iteratively improve the model generation capability by relying only on its self-supervision, eliminating the need for optimality information. We validate this Self-Labeling Improvement Method (SLIM) on the Job Shop Scheduling (JSP), a complex combinatorial problem that is receiving much attention from the neural combinatorial community. We propose a generative model based on the well-known Pointer Network and train it with SLIM. Experiments on popular benchmarks demonstrate the potential of this approach as the resulting models outperform constructive heuristics and state-of-the-art learning proposals for the JSP. Lastly, we prove the robustness of SLIM to various parameters and its generality by applying it to the Traveling Salesman Problem.