mtybilly/Instruct2DS huggingface dataset:
Universality in Transfer Learning for Linear Models
Authors: Reza Ghane, Danil Akhtiamov, Babak Hassibi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the problem of transfer learning and fine-tuning in linear models for both regression and binary classification. In particular, we consider the use of stochastic gradient descent (SGD) on a linear model initialized with pretrained weights and using a small training data set from the target distribution. In the asymptotic regime of large models, we provide an exact and rigorous analysis and relate the generalization errors (in regression) and classification errors (in binary classification) for the pretrained and fine-tuned models. In particular, we give conditions under which the fine-tuned model outperforms the pretrained one. An important aspect of our work is that all the results are "universal", in the sense that they depend only on the first and second order statistics of the target distribution. They thus extend well beyond the standard Gaussian assumptions commonly made in the literature. Furthermore, our universality results extend beyond standard SGD training to the test error of a classification task trained using ridge regression.
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
Authors: Marvin Alberts, Oliver Schilter, Federico Zipoli, Nina Hartrampf, Teodoro Laino
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the molecular structure, including the presence or absence of functional groups. Chemists leverage the complementary nature of the different methods to their advantage. However, the lack of a comprehensive multimodal dataset, containing spectra from a variety of spectroscopic techniques, has limited machine-learning approaches mostly to single-modality tasks for predicting molecular structures from spectra. Here we introduce a dataset comprising simulated $^1$H-NMR, $^{13}$C-NMR, HSQC-NMR, Infrared, and Mass spectra (positive and negative ion modes) for 790k molecules extracted from chemical reactions in patent data. This dataset enables the development of foundation models for integrating information from multiple spectroscopic modalities, emulating the approach employed by human experts. Additionally, we provide benchmarks for evaluating single-modality tasks such as structure elucidation, predicting the spectra for a target molecule, and functional group predictions. This dataset has the potential automate structure elucidation, streamlining the molecular discovery pipeline from synthesis to structure determination. The dataset and code for the benchmarks can be found at https://rxn4chemistry.github.io/multimodal-spectroscopic-dataset (Available upon submission of the supporting information).
Learning rigid-body simulators over implicit shapes for large-scale scenes and vision
Authors: Yulia Rubanova, Tatiana Lopez-Guevara, Kelsey R. Allen, William F. Whitney, Kimberly Stachenfeld, Tobias Pfaff
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Simulating large scenes with many rigid objects is crucial for a variety of applications, such as robotics, engineering, film and video games. Rigid interactions are notoriously hard to model: small changes to the initial state or the simulation parameters can lead to large changes in the final state. Recently, learned simulators based on graph networks (GNNs) were developed as an alternative to hand-designed simulators like MuJoCo and Bullet. They are able to accurately capture dynamics of real objects directly from real-world observations. However, current state-of-the-art learned simulators operate on meshes and scale poorly to scenes with many objects or detailed shapes. Here we present SDF-Sim, the first learned rigid-body simulator designed for scale. We use learned signed-distance functions (SDFs) to represent the object shapes and to speed up distance computation. We design the simulator to leverage SDFs and avoid the fundamental bottleneck of the previous simulators associated with collision detection.For the first time in literature, we demonstrate that we can scale the GNN-based simulators to scenes with hundreds of objects and up to 1.1 million nodes, where mesh-based approaches run out of memory. Finally, we show that SDF-Sim can be applied to real world scenes by extracting SDFs from multi-view images.
Convergence of $\text{log}(1/\epsilon)$ for Gradient-Based Algorithms in Zero-Sum Games without the Condition Number: A Smoothed Analysis
Authors: Ioannis Anagnostides, Tuomas Sandholm
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Gradient-based algorithms have shown great promise in solving large (two-player) zero-sum games. However, their success has been mostly confined to the low-precision regime since the number of iterations grows polynomially in $1/\epsilon$, where $\epsilon > 0$ is the duality gap. While it has been well-documented that linear convergence---an iteration complexity scaling as $\text{log}(1/\epsilon)$---can be attained even with gradient-based algorithms, that comes at the cost of introducing a dependency on certain condition number-like quantities which can be exponentially large in the description of the game. To address this shortcoming, we examine the iteration complexity of several gradient-based algorithms in the celebrated framework of smoothed analysis, and we show that they have polynomial smoothed complexity, in that their number of iterations grows as a polynomial in the dimensions of the game, $\text{log}(1/\epsilon)$, and $1/\sigma$, where $\sigma$ measures the magnitude of the smoothing perturbation. Our result applies to optimistic gradient and extra-gradient descent/ascent, as well as a certain iterative variant of Nesterov's smoothing technique. From a technical standpoint, the proof proceeds by characterizing and performing a smoothed analysis of a certain error bound, the key ingredient driving linear convergence in zero-sum games. En route, our characterization also makes a natural connection between the convergence rate of such algorithms and perturbation-stability properties of the equilibrium, which is of interest beyond the model of smoothed complexity.
Animate3D: Animating Any 3D Model with Multi-view Video Diffusion
Authors: Yanqin Jiang, Chaohui Yu, Chenjie Cao, Fan Wang, Weiming Hu, Jin Gao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advances in 4D generation mainly focus on generating 4D content by distilling pre-trained text or single-view image conditioned models. It is inconvenient for them to take advantage of various off-the-shelf 3D assets with multi-view attributes, and their results suffer from spatiotemporal inconsistency owing to the inherent ambiguity in the supervision signals. In this work, we present Animate3D, a novel framework for animating any static 3D model. The core idea is two-fold: 1) We propose a novel multi-view video diffusion model (MV-VDM) conditioned on multi-view renderings of the static 3D object, which is trained on our presented large-scale multi-view video dataset (MV-Video). 2) Based on MV-VDM, we introduce a framework combining reconstruction and 4D Score Distillation Sampling (4D-SDS) to leverage the multi-view video diffusion priors for animating 3D objects. Specifically, for MV-VDM, we design a new spatiotemporal attention module to enhance spatial and temporal consistency by integrating 3D and video diffusion models. Additionally, we leverage the static 3D model’s multi-view renderings as conditions to preserve its identity. For animating 3D models, an effective two-stage pipeline is proposed: we first reconstruct coarse motions directly from generated multi-view videos, followed by the introduced 4D-SDS to model fine-level motions. Benefiting from accurate motion learning, we could achieve straightforward mesh animation. Qualitative and quantitative experiments demonstrate that Animate3D significantly outperforms previous approaches. Data, code, and models are open-released.
Skinned Motion Retargeting with Dense Geometric Interaction Perception
Authors: Zijie Ye, Jia-Wei Liu, Jia Jia, Shikun Sun, Mike Zheng Shou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Capturing and maintaining geometric interactions among different body parts is crucial for successful motion retargeting in skinned characters. Existing approaches often overlook body geometries or add a geometry correction stage after skeletal motion retargeting. This results in conflicts between skeleton interaction and geometry correction, leading to issues such as jittery, interpenetration, and contact mismatches. To address these challenges, we introduce a new retargeting framework, MeshRet, which directly models the dense geometric interactions in motion retargeting. Initially, we establish dense mesh correspondences between characters using semantically consistent sensors (SCS), effective across diverse mesh topologies. Subsequently, we develop a novel spatio-temporal representation called the dense mesh interaction (DMI) field. This field, a collection of interacting SCS feature vectors, skillfully captures both contact and non-contact interactions between body geometries. By aligning the DMI field during retargeting, MeshRet not only preserves motion semantics but also prevents self-interpenetration and ensures contact preservation. Extensive experiments on the public Mixamo dataset and our newly-collected ScanRet dataset demonstrate that MeshRet achieves state-of-the-art performance. Code available at https://github.com/abcyzj/MeshRet.
Fair Allocation in Dynamic Mechanism Design
Authors: Alireza Fallah, Michael I. Jordan, Annie Ulichney
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider a dynamic mechanism design problem where an auctioneer sells an indivisible good to two groups of buyers in every round, for a total of $T$ rounds. The auctioneer aims to maximize their discounted overall revenue while adhering to a fairness constraint that guarantees a minimum average allocation for each group. We begin by studying the static case ($T=1$) and establish that the optimal mechanism involves two types of subsidization: one that increases the overall probability of allocation to all buyers, and another that favors the group which otherwise has a lower probability of winning the item. We then extend our results to the dynamic case by characterizing a set of recursive functions that determine the optimal allocation and payments in each round. Notably, our results establish that in the dynamic case, the seller, on one hand, commits to a participation reward to incentivize truth-telling, and, on the other hand, charges an entry fee for every round. Moreover, the optimal allocation once more involves subsidization in favor of one group, where the extent of subsidization depends on the difference in future utilities for both the seller and buyers when allocating the item to one group versus the other. Finally, we present an approximation scheme to solve the recursive equations and determine an approximately optimal and fair allocation efficiently.
Who's asking? User personas and the mechanics of latent misalignment
Authors: Asma Ghandeharioun, Ann Yuan, Marius Guerard, Emily Reif, Michael A. Lepori, Lucas Dixon
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Studies show that safety-tuned models may nevertheless divulge harmful information. In this work, we show that whether they do so depends significantly on who they are talking to, which we refer to as user persona. In fact, we find manipulating user persona to be more effective for eliciting harmful content than certain more direct attempts to control model refusal. We study both natural language prompting and activation steering as intervention methods and show that activation steering is significantly more effective at bypassing safety filters.We shed light on the mechanics of this phenomenon by showing that even when model generations are safe, harmful content can persist in hidden representations and can be extracted by decoding from earlier layers.  We also show we can predict a persona’s effect on refusal given only the geometry of its steering vector. Finally, we show that certain user personas induce the model to form more charitable interpretations of otherwise dangerous queries.
Instruction-Guided Visual Masking
Authors: Jinliang Zheng, Jianxiong Li, Sijie Cheng, Yinan Zheng, Jiaming Li, Jihao Liu, Yu Liu, Jingjing Liu, Xianyuan Zhan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Instruction following is crucial in contemporary LLM. However, when extended to multimodal setting, it often suffers from misalignment between specific textual instruction and targeted local region of an image. To achieve more accurate and nuanced multimodal instruction following, we introduce Instruction-guided Visual Masking (IVM), a new versatile visual grounding model that is compatible with diverse multimodal models, such as LMM and robot model. By constructing visual masks for instruction-irrelevant regions, IVM-enhanced multimodal models can effectively focus on task-relevant image regions to better align with complex instructions. Specifically, we design a visual masking data generation pipeline and create an IVM-Mix-1M dataset with 1 million image-instruction pairs. We further introduce a new learning technique, Discriminator Weighted Supervised Learning (DWSL) for preferential IVM training that prioritizes high-quality data samples. Experimental results on generic multimodal tasks such as VQA and embodied robotic control demonstrate the versatility of IVM, which as a plug-and-play tool, significantly boosts the performance of diverse multimodal models, yielding new state-of-the-art results across challenging multimodal benchmarks. Code, model and data are available at https://github.com/2toinf/IVM.
SELF-DISCOVER: Large Language Models Self-Compose Reasoning Structures
Authors: Pei Zhou, Jay Pujara, Xiang Ren, Xinyun Chen, Heng-Tze Cheng, Quoc V. Le, Ed H. Chi, Denny Zhou, Swaroop Mishra, Huaixiu Steven Zheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce SELF-DISCOVER, a general framework for LLMs to self-discover the task-intrinsic reasoning structures to tackle complex reasoning problems that are challenging for typical prompting methods. Core to the framework is a self-discovery process where LLMs select multiple atomic reasoning modules such as critical thinking and step-by-step thinking, and compose them into an explicit reasoning structure for LLMs to follow during decoding. SELF-DISCOVER substantially improves GPT-4 and PaLM 2’s performance on challenging reasoning benchmarks such as BigBench-Hard, grounded agent reasoning, and MATH, by as much as 32% compared to Chain of Thought (CoT). Furthermore, SELF-DISCOVER outperforms inference-intensive methods such as CoT-Self-Consistency by more than 20%, while requiring 10-40x fewer inference compute. Finally, we show that the self-discovered reasoning structures are universally applicable across model families: from PaLM 2-L to GPT-4, and from GPT-4 to Llama2, and share commonalities with human reasoning patterns.
Bandits with Abstention under Expert Advice
Authors: Stephen Pasteris, Alberto Rumi, Maximilian Thiessen, Shota Saito, Atsushi Miyauchi, Fabio Vitale, Mark Herbster
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the classic problem of prediction with expert advice under bandit feedback.  Our model assumes that one action, corresponding to the learner's abstention from play, has no reward or loss on every trial. We propose the CBA (Confidence-rated Bandits with Abstentions) algorithm, which exploits this assumption to obtain reward bounds that can significantly improve those of the classical Exp4 algorithm. Our problem can be construed as the aggregation of confidence-rated predictors, with the learner having the option to abstain from play. We are the first to achieve bounds on the expected cumulative reward for general confidence-rated predictors. In the special case of specialists, we achieve a novel reward bound, significantly improving previous bounds of SpecialistExp (treating abstention as another action). We discuss how CBA can be applied to the problem of adversarial contextual bandits with the option of abstaining from selecting any action. We are able to leverage a wide range of inductive biases, outperforming previous approaches both theoretically and in preliminary experimental analysis. Additionally, we achieve a reduction in runtime from quadratic to almost linear in the number of contexts for the specific case of metric space contexts.
Improved Algorithms for Contextual Dynamic Pricing
Authors: Matilde Tullii, Solenne Gaucher, Nadav Merlis, Vianney Perchet
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In contextual dynamic pricing,  a seller sequentially prices goods based on contextual information. Buyers will purchase products only if the prices are below their valuations.The goal of the seller is to design a pricing strategy that collects as much revenue as possible. We focus on two different valuation models. The first assumes that valuations linearly depend on the context and are further distorted by noise. Under minor regularity assumptions, our algorithm achieves an optimal regret bound of $\tilde{\mathcal{O}}(T^{2/3})$, improving the existing results. The second model removes the linearity assumption, requiring only that the expected buyer valuation is $\beta$-H\"older in the context. For this model, our algorithm obtains a regret $\tilde{\mathcal{O}}(T^{d+2\beta/d+3\beta})$, where $d$ is the dimension of the context space.
AMOR: A Recipe for Building Adaptable Modular Knowledge Agents Through Process Feedback
Authors: Jian Guan, Wei Wu, Zujie Wen, Peng Xu, Hongning Wang, Minlie Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The notable success of large language models (LLMs) has sparked an upsurge in building language agents to complete various complex tasks. We present AMOR, an agent framework based on open-source LLMs, which reasons with external knowledge bases and adapts to specific domains through human supervision to the reasoning process. AMOR builds reasoning logic over a finite state machine (FSM)that solves problems through autonomous executions and transitions over disentangled modules. This allows humans to provide direct feedback to the individual modules, and thus naturally forms process supervision. Based on this reasoning and feedback framework, we develop AMOR through two-stage fine-tuning: warm-up and adaptation. The former fine-tunes the LLM with examples automatically constructed from various public datasets, enabling AMOR to generalize across different knowledge environments, while the latter tailors AMOR to specific domains using process feedback. Extensive experiments across multiple domains demonstrate the advantage of AMOR to strong baselines, thanks to its FSM-based reasoning and process feedback mechanism. The code and data are publicly available athttps://github.com/JianGuanTHU/AMOR.
Slight Corruption in Pre-training Data Makes Better Diffusion Models
Authors: Hao Chen, Yujin Han, Diganta Misra, Xiang Li, Kai Hu, Difan Zou, Masashi Sugiyama, Jindong Wang, Bhiksha Raj
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models (DMs) have shown remarkable capabilities in generating realistic high-quality images, audios, and videos. They benefit significantly from extensive pre-training on large-scale datasets, including web-crawled data with paired data and conditions, such as image-text and image-class pairs.Despite rigorous filtering, these pre-training datasets often inevitably contain corrupted pairs where conditions do not accurately describe the data. This paper presents the first comprehensive study on the impact of such corruption in pre-training data of DMs.We synthetically corrupt ImageNet-1K and CC3M to pre-train and evaluate over $50$ conditional DMs. Our empirical findings reveal that various types of slight corruption in pre-training can significantly enhance the quality, diversity, and fidelity of the generated images across different DMs, both during pre-training and downstream adaptation stages. Theoretically, we consider a Gaussian mixture model and prove that slight corruption in the condition leads to higher entropy and a reduced 2-Wasserstein distance to the ground truth of the data distribution generated by the corruptly trained DMs.Inspired by our analysis, we propose a simple method to improve the training of DMs on practical datasets by adding condition embedding perturbations (CEP).CEP significantly improves the performance of various DMs in both pre-training and downstream tasks.We hope that our study provides new insights into understanding the data and pre-training processes of DMs.
Scaling Laws for Reward Model Overoptimization in Direct Alignment Algorithms
Authors: Rafael Rafailov, Yaswanth Chittepu, Ryan Park, Harshit Sikchi, Joey Hejna, W. Bradley Knox, Chelsea Finn, Scott Niekum
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reinforcement Learning from Human Feedback (RLHF)has been crucial to the recent success of Large Language Models (LLMs), however it is often a complex and brittle process. In the classical RLHF framework, a reward model is first trained to represent human preferences, which is in turn used by an online reinforcement learning (RL) algorithm to optimized the LLM. A prominent issue with such methods is reward over-optimization or reward hacking, where the performance as measured by the learned proxy reward model increases, but the true model quality plateaus or even deteriorates. Direct Alignment Algorithms (DDAs), such as Direct Preference Optimization (DPO) have emerged as alternatives to the classical RLHF pipeline. However, despite not training a separate proxy reward model or using RL, they still commonly deteriorate from over-optimization. While the so-called reward hacking phenomenon is not well-defined for DAAs, we still uncover similar trends: at higher KL-budgets, DAA algorithms exhibit similar degradation patters to their classic RLHF counterparts. In particular, we find that DAA methods deteriorate not only across a wide range of KL-budgets, but also often before even a single epoch of the dataset is completed. Through extensive empirical experimentation this work formulates the reward over-optimization or hacking problem for DAAs and explores its consequences across objectives, training regimes, and model scales.
Adversarial Representation Engineering: A General Model Editing Framework for Large Language Models
Authors: Yihao Zhang, Zeming Wei, Jun Sun, Meng Sun
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Since the rapid development of Large Language Models (LLMs) has achieved remarkable success, understanding and rectifying their internal complex mechanisms has become an urgent issue. Recent research has attempted to interpret their behaviors through the lens of inner representation. However, developing practical and efficient methods for applying these representations for general and flexible model editing remains challenging. In this work, we explore how to leverage insights from representation engineering to guide the editing of LLMs by deploying a representation discriminator as an editing oracle. We first identify the importance of a robust and reliable discriminator during editing, then propose an \textbf{A}dversarial \textbf{R}epresentation \textbf{E}ngineering (\textbf{ARE}) framework to provide a unified and interpretable approach for conceptual model editing without compromising baseline performance. Experiments on multiple tasks demonstrate the effectiveness of ARE in various model editing scenarios. Our code and data are available at \url{https://github.com/Zhang-Yihao/Adversarial-Representation-Engineering}.
Gradient Cuff: Detecting Jailbreak Attacks on Large Language Models by Exploring Refusal Loss Landscapes
Authors: Xiaomeng Hu, Pin-Yu Chen, Tsung-Yi Ho
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) are becoming a prominent generative AI tool, where the user enters a query and the LLM generates an answer. To reduce harm and misuse, efforts have been made to align these LLMs to human values using advanced training techniques such as Reinforcement Learning from Human Feedback (RLHF). However, recent studies have highlighted the vulnerability of LLMs to adversarial jailbreak attempts aiming at subverting the embedded safety guardrails. To address this challenge, this paper defines and investigates the Refusal Loss of LLMs and then proposes a method called Gradient Cuff to detect jailbreak attempts. Gradient Cuff exploits the unique properties observed in the refusal loss landscape, including functional values and its smoothness, to design an effective two-step detection strategy. Experimental results on two aligned LLMs (LLaMA-2-7B-Chat and Vicuna-7B-V1.5) and six types of jailbreak attacks (GCG, AutoDAN, PAIR, TAP, Base64, and LRL) show that Gradient Cuff can significantly improve the LLM's rejection capability for malicious jailbreak queries, while maintaining the model's performance for benign user queries by adjusting the detection threshold.
Adapting to Unknown Low-Dimensional Structures in Score-Based Diffusion Models
Authors: Gen Li, Yuling Yan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper investigates score-based diffusion models when the underlying target distribution is concentrated on or near low-dimensional manifolds within the higher-dimensional space in which they formally reside, a common characteristic of natural image distributions. Despite previous efforts to understand the data generation process of diffusion models, existing theoretical support remains highly suboptimal in the presence of low-dimensional structure, which we strengthen in this paper.  For the popular Denoising Diffusion Probabilistic Model (DDPM), we find that the dependency of the error incurred within each denoising step on the ambient dimension $d$ is in general unavoidable. We further identify a unique design of coefficients that yields a converges rate at the order of $O(k^{2}/\sqrt{T})$ (up to log factors), where $k$ is the intrinsic dimension of the target distribution and $T$ is the number of steps. This represents the first theoretical demonstration that the DDPM sampler can adapt to unknown low-dimensional structures in the target distribution, highlighting the critical importance of coefficient design. All of this is achieved by a novel set of analysis tools that characterize the algorithmic dynamics in a more deterministic manner.
HuRef: HUman-REadable Fingerprint for Large Language Models
Authors: Boyi Zeng, Lizheng Wang, Yuncong Hu, Yi Xu, Chenghu Zhou, Xinbing Wang, Yu Yu, Zhouhan Lin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Protecting the copyright of large language models (LLMs) has become crucial due to their resource-intensive training and accompanying carefully designed licenses. However, identifying the original base model of an LLM is challenging due to potential parameter alterations. In thisstudy, we introduce HuRef, a human-readable fingerprint for LLMs that uniquely identifies the base model without interfering with training or exposing model parameters to the public.We first observe that the vector direction of LLM parameters remains stable after the model has converged during pretraining, with negligible perturbations through subsequent training steps, including continued pretraining, supervised fine-tuning, and RLHF, which makes it a sufficient conditionto identify the base model.The necessity is validated by continuing to train an LLM with an extra term to drive away the model parameters' direction and the model becomes damaged. However, this direction is vulnerable to simple attacks like dimension permutation or matrix rotation, which significantly change it without affecting performance. To address this, leveraging the Transformer structure, we systematically analyze potential attacks and define three invariant terms that identify an LLM's base model. Due to the potential risk of information leakage, we cannot publish invariant terms directly. Instead, we map them to a Gaussian vector using an encoder, then convert it into a natural image using StyleGAN2, and finally publish the image. In our black-box setting, all fingerprinting steps are internally conducted by the LLMs owners. To ensure the published fingerprints are honestly generated, we introduced Zero-Knowledge Proof (ZKP).Experimental results across various LLMs demonstrate the effectiveness of our method. The code is available at https://github.com/LUMIA-Group/HuRef.
Last-Iterate Global Convergence of Policy Gradients for Constrained Reinforcement Learning
Authors: Alessandro Montenegro, Marco Mussi, Matteo Papini, Alberto Maria Metelli
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Constrained Reinforcement Learning (CRL) tackles sequential decision-making problems where agents are required to achieve goals by maximizing the expected return while meeting domain-specific constraints, which are often formulated on expected costs. In this setting, policy-based methods are widely used since they come with several advantages when dealing with continuous-control problems. These methods search in the policy space with an action-based or parameter-based exploration strategy, depending on whether they learn directly the parameters of a stochastic policy or those of a stochastic hyperpolicy. In this paper, we propose a general framework for addressing CRL problems via gradient-based primal-dual algorithms, relying on an alternate ascent/descent scheme with dual-variable regularization. We introduce an exploration-agnostic algorithm, called C-PG, which exhibits global last-iterate convergence guarantees under (weak) gradient domination assumptions, improving and generalizing existing results. Then, we design C-PGAE and C-PGPE, the action-based and the parameter-based versions of C-PG, respectively, and we illustrate how they naturally extend to constraints defined in terms of risk measures over the costs, as it is often requested in safety-critical scenarios. Finally, we numerically validate our algorithms on constrained control problems, and compare them with state-of-the-art baselines, demonstrating their effectiveness.
The Prevalence of Neural Collapse in Neural Multivariate  Regression
Authors: George Andriopoulos, Zixuan Dong, Li Guo, Zifan Zhao, Keith Ross
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 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.
Toward Dynamic Non-Line-of-Sight Imaging with Mamba Enforced Temporal Consistency
Authors: Yue Li, Yi Sun, Shida Sun, Juntian Ye, Yueyi Zhang, Feihu Xu, Zhiwei Xiong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Dynamic reconstruction in confocal non-line-of-sight imaging encounters great challenges since the dense raster-scanning manner limits the practical frame rate. A fewer pioneer works reconstruct high-resolution volumes from the under-scanning transient measurements but overlook temporal consistency among transient frames. To fully exploit multi-frame information, we propose the first spatial-temporal Mamba (ST-Mamba) based method tailored for dynamic reconstruction of transient videos. Our method capitalizes on neighbouring transient frames to aggregate the target 3D hidden volume. Specifically, the interleaved features extracted from the input transient frames are fed to the proposed ST-Mamba blocks, which leverage the time-resolving causality in transient measurement. The cross ST-Mamba blocks are then devised to integrate the adjacent transient features. The target high-resolution transient frame is subsequently recovered by the transient spreading module. After transient fusion and recovery, a physical-based network is employed to reconstruct the hidden volume. To tackle the substantial noise inherent in transient videos, we propose a wave-based loss function to impose constraints within the phasor field. Besides, we introduce a new dataset, comprising synthetic videos for training and real-world videos for evaluation. Extensive experiments showcase the superior performance of our method on both synthetic data and real world data captured by different imaging setups. The code and data are available at https://github.com/Depth2World/Dynamic_NLOS.
Quantifying the Gain in Weak-to-Strong Generalization
Authors: Moses Charikar, Chirag Pabbaraju, Kirankumar Shiragur
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 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
Authors: Edward Vendrow, Omiros Pantazis, Alexander Shepard, Gabriel Brostow, Kate E. Jones, Oisin Mac Aodha, Sara Beery, Grant Van Horn
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: 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.
Self-playing Adversarial Language Game Enhances LLM Reasoning
Authors: Pengyu Cheng, Yong Dai, Tianhao Hu, Han Xu, Zhisong Zhang, Lei Han, Nan Du, Xiaolong Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We explore the potential of self-play training for large language models (LLMs) in a two-player adversarial language game called Adversarial Taboo. In this game, an attacker and a defender communicate around a target word only visible to the attacker. The attacker aims to induce the defender to speak the target word unconsciously, while the defender tries to infer the target word from the attacker's utterances. To win the game, both players must have sufficient knowledge about the target word and high-level reasoning ability to infer and express in this information-reserved conversation. Hence, we are curious about whether LLMs' reasoning ability can be further enhanced by Self-Playing this Adversarial language Game (SPAG). With this goal, we select several open-source LLMs and let each act as the attacker and play with a copy of itself as the defender on an extensive range of target words. Through reinforcement learning on the game outcomes, we observe that the LLMs' performances uniformly improve on a broad range of reasoning benchmarks. Furthermore, iteratively adopting this self-play process can continuously promote LLMs' reasoning abilities. The code is available at https://github.com/Linear95/SPAG.
Gorilla: Large Language Model Connected with Massive APIs
Authors: Shishir G. Patil, Tianjun Zhang, Xin Wang, Joseph E. Gonzalez
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) have seen an impressive wave of advances, withmodels now excelling in a variety of tasks, such as mathematical reasoning andprogram synthesis. However, their potential to effectively use tools via API callsremains unfulfilled. This is a challenging task even for today’s state-of-the-artLLMs such as GPT-4 largely due to their unawareness of what APIs are availableand how to use them in a frequently updated tool set. We develop Gorilla, afinetuned LLaMA model that surpasses the performance of GPT-4 on writing APIcalls. Trained with the novel Retriever Aware Training (RAT), when combinedwith a document retriever, Gorilla demonstrates a strong capability to adapt totest-time document changes, allowing flexible user updates or version changes.It also substantially mitigates the issue of hallucination, commonly encounteredwhen prompting LLMs directly. To evaluate the model’s ability, we introduceAPIBench, a comprehensive dataset consisting of HuggingFace, TorchHub, andTensorHub APIs. The successful integration of the retrieval system with Gorillademonstrates the potential for LLMs to use tools more accurately, keep up withfrequently updated documentation, and consequently increase the reliability andapplicability of their outputs. Gorilla’s code, model, data, and demo are availableat: https://gorilla.cs.berkeley.edu
Coherence-free Entrywise Estimation of Eigenvectors in Low-rank Signal-plus-noise Matrix Models
Authors: Hao Yan, Keith Levin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Spectral methods are widely used to estimate eigenvectors of a low-rank signal matrix subject to noise. These methods use the leading eigenspace of an observed matrix to estimate this low-rank signal. Typically, the entrywise estimation error of these methods depends on the coherence of the low-rank signal matrix with respect to the standard basis. In this work, we present a novel method for eigenvector estimation that avoids this dependence on coherence. Assuming a rank-one signal matrix, under mild technical conditions, the entrywise estimation error of our method provably has no dependence on the coherence under Gaussian noise (i.e., in the spiked Wigner model), and achieves the optimal estimation rate up to logarithmic factors. Simulations demonstrate that our method performs well under non-Gaussian noise and that an extension of our method to the case of a rank-$r$ signal matrix has little to no dependence on the coherence. In addition, we derive new metric entropy bounds for rank-$r$ singular subspaces under $\ell_{2,\infty}$ distance, which may be of independent interest. We use these new bounds to improve the best known lower bound for rank-$r$ eigenspace estimation under $\ell_{2,\infty}$ distance.
KALM: Knowledgeable Agents by Offline Reinforcement Learning from Large Language Model Rollouts
Authors: Jing-Cheng Pang, Si-Hang Yang, Kaiyuan Li, Xiong-Hui Chen, Nan Tang, Yang Yu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reinforcement learning (RL) traditionally trains agents using interaction data, which limits their capabilities to the scope of the training data. To create more knowledgeable agents, leveraging knowledge from large language models (LLMs) has shown a promising way. Despite various attempts to combine LLMs with RL, there is commonly a semantic gap between action signals and LLM tokens, which hinders their integration. This paper introduces a novel approach, KALM (Knowledgeable Agents from Language Model Rollouts), to learn knowledgeable agents by bridging this gap. KALM extracts knowledge from LLMs in the form of imaginary rollouts, which agents can learn through offline RL. To overcome the limitation that LLMs are inherently text-based and may be incompatible with numerical environmental data, KALM fine-tunes the LLM to perform bidirectional translation between textual goals and rollouts. This process enables the LLM to understand the environment better, facilitating the generation of meaningful rollouts. Experiments on robotic manipulation tasks demonstrate that KALM allows agents to rephrase complex goals and tackle novel tasks requiring new optimal behaviors. KALM achieves a 46% success rate in completing 1400 various novel goals, significantly outperforming the 26% success rate of baseline methods. Project homepage: https://kalmneurips2024.github.io.
GeoPlant: Spatial Plant Species Prediction Dataset
Authors: Lukas Picek, Christophe Botella, Maximilien Servajean, César Leblanc, Rémi Palard, Théo Larcher, Benjamin Deneu, Diego Marcos, Pierre Bonnet, Alexis Joly
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: 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 multi-modal 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.
Hierarchical Programmatic Option Framework
Authors: Yu-An Lin, Chen-Tao Lee, Chih-Han Yang, Guan-Ting Liu, Shao-Hua Sun
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep reinforcement learning aims to learn deep neural network policies to solve large-scale decision-making problems. However, approximating policies using deep neural networks makes it difficult to interpret the learned decision-making process. To address this issue, prior works (Trivedi et al., 2021; Liu et al., 2023; Carvalho et al., 2024) proposed to use human-readable programs as policies to increase the interpretability of the decision-making pipeline. Nevertheless, programmatic policies generated by these methods struggle to effectively solve long and repetitive RL tasks and cannot generalize to even longer horizons during testing. To solve these problems, we propose the Hierarchical Programmatic Option framework (HIPO), which aims to solve long and repetitive RL problems with human-readable programs as options (low-level policies). Specifically, we propose a method that retrieves a set of effective, diverse, and compatible programs as options. Then, we learn a high-level policy to effectively reuse these programmatic options to solve reoccurring subtasks. Our proposed framework outperforms programmatic RL and deep RL baselines on various tasks. Ablation studies justify the effectiveness of our proposed search algorithm for retrieving a set of programmatic options.