mtybilly/Instruct2DS huggingface dataset:
SELF-DISCOVER: Large Language Models Self-Compose Reasoning Structures
Authors: Jay Pujara, Xiang Ren, Xinyun Chen, Heng-Tze Cheng, Quoc V. Le, Ed H. Chi, Denny Zhou, Swaroop Mishra, Huaixiu Steven Zheng Pei Zhou
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: Alberto Rumi, Maximilian Thiessen, Shota Saito, Atsushi Miyauchi, Fabio Vitale, Mark Herbster Stephen Pasteris
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: Solenne Gaucher, Nadav Merlis, Vianney Perchet Matilde Tullii
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: Wei Wu, Zujie Wen, Peng Xu, Hongning Wang, Minlie Huang Jian Guan
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: Yujin Han, Diganta Misra, Xiang Li, Kai Hu, Difan Zou, Masashi Sugiyama, Jindong Wang, Bhiksha Raj Hao Chen
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: Yaswanth Chittepu, Ryan Park, Harshit Sikchi, Joey Hejna, W. Bradley Knox, Chelsea Finn, Scott Niekum Rafael Rafailov
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: Zeming Wei, Jun Sun, Meng Sun Yihao Zhang
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: Pin-Yu Chen, Tsung-Yi Ho Xiaomeng Hu
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: Yuling Yan Gen Li
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: Lizheng Wang, Yuncong Hu, Yi Xu, Chenghu Zhou, Xinbing Wang, Yu Yu, Zhouhan Lin Boyi Zeng
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: Marco Mussi, Matteo Papini, Alberto Maria Metelli Alessandro Montenegro
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: Zixuan Dong, Li Guo, Zifan Zhao, Keith Ross George Andriopoulos
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: Yi Sun, Shida Sun, Juntian Ye, Yueyi Zhang, Feihu Xu, Zhiwei Xiong Yue Li
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: Chirag Pabbaraju, Kirankumar Shiragur Moses Charikar
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: Omiros Pantazis, Alexander Shepard, Gabriel Brostow, Kate E. Jones, Oisin Mac Aodha, Sara Beery, Grant Van Horn Edward Vendrow
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: Yong Dai, Tianhao Hu, Han Xu, Zhisong Zhang, Lei Han, Nan Du, Xiaolong Li Pengyu Cheng
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: Tianjun Zhang, Xin Wang, Joseph E. Gonzalez Shishir G. Patil
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: Keith Levin Hao Yan
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: Si-Hang Yang, Kaiyuan Li, Xiong-Hui Chen, Nan Tang, Yang Yu Jing-Cheng Pang
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: Christophe Botella, Maximilien Servajean, César Leblanc, Rémi Palard, Théo Larcher, Benjamin Deneu, Diego Marcos, Pierre Bonnet, Alexis Joly Lukas Picek
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: Chen-Tao Lee, Chih-Han Yang, Guan-Ting Liu, Shao-Hua Sun Yu-An Lin
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.
IPO: Interpretable Prompt Optimization for Vision-Language Models
Authors: Wenfang Sun, Cees G. M. Snoek Yingjun Du
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Pre-trained vision-language models like CLIP have remarkably adapted to various downstream tasks. Nonetheless, their performance heavily depends on the specificity of the input text prompts, which requires skillful prompt template engineering. Instead, current approaches to prompt optimization learn the prompts through gradient descent, where the prompts are treated as adjustable parameters. However, these methods tend to lead to overfitting of the base classes seen during training and produce prompts that are no longer understandable by humans. This paper introduces a simple but interpretable prompt optimizer (IPO), that utilizes large language models (LLMs) to generate textual prompts dynamically. We introduce a Prompt Optimization Prompt that not only guides LLMs in creating effective prompts but also stores past prompts with their performance metrics, providing rich in-context information. Additionally, we incorporate a large multimodal model (LMM) to condition on visual content by generating image descriptions, which enhance the interaction between textual and visual modalities. This allows for the creation of dataset-specific prompts that improve generalization performance, while maintaining human comprehension. Extensive testing across 11 datasets reveals that IPO not only improves the accuracy of existing gradient-descent-based prompt learning methods but also considerably enhances the interpretability of the generated prompts. By leveraging the strengths of LLMs, our approach ensures that the prompts remain human-understandable, thereby facilitating better transparency and oversight for vision-language models.
Towards Principled Graph Transformers
Authors: Daniel Kusuma, Blai Bonet, Christopher Morris Luis Müller
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The expressive power of graph learning architectures based on the $k$-dimensional Weisfeiler-Leman ($k$-WL) hierarchy is well understood. However, such architectures often fail to deliver solid predictive performance on real-world tasks, limiting their practical impact. In contrast, global attention-based models such as graph transformers demonstrate strong performance in practice, but comparing their expressive power with the $k$-WL hierarchy remains challenging, particularly since these architectures rely on positional or structural encodings for their expressivity and predictive performance. To address this, we show that the recently proposed Edge Transformer, a global attention model operating on node pairs instead of nodes, has 3-WL expressive power when provided with the right tokenization. Empirically, we demonstrate that the Edge Transformer surpasses other theoretically aligned architectures regarding predictive performance while not relying on positional or structural encodings.
Entrywise error bounds for low-rank approximations of kernel matrices
Authors: Alexander Modell
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we derive entrywise error bounds for low-rank approximations of kernel matrices obtained using the truncated eigen-decomposition (or singular value decomposition). While this approximation is well-known to be optimal with respect to the spectral and Frobenius norm error, little is known about the statistical behaviour of individual entries. Our error bounds fill this gap. A key technical innovation is a delocalisation result for the eigenvectors of the kernel matrix corresponding to small eigenvalues, which takes inspiration from the field of Random Matrix Theory. Finally, we validate our theory with an empirical study of a collection of synthetic and real-world datasets.
MEQA: A Benchmark for Multi-hop Event-centric Question Answering with Explanations
Authors: Zimu Wang, Son Quoc Tran, Lei Xia, Xinya Du Ruosen Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Existing benchmarks for multi-hop question answering (QA) primarily evaluate models based on their ability to reason about entities and the relationships between them. However, there's a lack of insight into how these models perform in terms of both events and entities. In this paper, we introduce a novel semi-automatic question generation strategy by composing event structures from information extraction (IE) datasets and present the first Multi-hop Event-centric Question Answering (MEQA) benchmark. It contains (1) 2,243 challenging questions that require a diverse range of complex reasoning over entity-entity, entity-event, and event-event relations; (2) corresponding multi-step QA-format event reasoning chain (explanation) which leads to the answer for each question. We also introduce two metrics for evaluating explanations: completeness and logical consistency. We conduct comprehensive benchmarking and analysis, which shows that MEQA is challenging for the latest state-of-the-art models encompassing large language models (LLMs); and how they fall short of providing faithful explanations of the event-centric reasoning process.
AUCSeg: AUC-oriented Pixel-level Long-tail Semantic Segmentation
Authors: Qianqian Xu, Zhiyong Yang, Shilong Bao, Peisong Wen, Yangbangyan Jiang, Qingming Huang Boyu Han
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The Area Under the ROC Curve (AUC) is a well-known metric for evaluating instance-level long-tail learning problems. In the past two decades, many AUC optimization methods have been proposed to improve model performance under long-tail distributions. In this paper, we explore AUC optimization methods in the context of pixel-level long-tail semantic segmentation, a much more complicated scenario. This task introduces two major challenges for AUC optimization techniques. On one hand, AUC optimization in a pixel-level task involves complex coupling across loss terms, with structured inner-image and pairwise inter-image dependencies, complicating theoretical analysis. On the other hand, we find that mini-batch estimation of AUC loss in this case requires a larger batch size, resulting in an unaffordable space complexity. To address these issues, we develop a pixel-level AUC loss function and conduct a dependency-graph-based theoretical analysis of the algorithm's generalization ability. Additionally, we design a Tail-Classes Memory Bank (T-Memory Bank) to manage the significant memory demand. Finally, comprehensive experiments across various benchmarks confirm the effectiveness of our proposed AUCSeg method. The code is available at https://github.com/boyuh/AUCSeg.
Consistency Models for Scalable and Fast Simulation-Based Inference
Authors: Valentin Pratz, Ullrich Köthe, Paul-Christian Bürkner, Stefan T. Radev Marvin Schmitt
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Simulation-based inference (SBI) is constantly in search of more expressive and efficient algorithms to accurately infer the parameters of complex simulation models.In line with this goal, we present consistency models for posterior estimation (CMPE), a new conditional sampler for SBI that inherits the advantages of recent unconstrained architectures and overcomes their sampling inefficiency at inference time.CMPE essentially distills a continuous probability flow and enables rapid few-shot inference with an unconstrained architecture that can be flexibly tailored to the structure of the estimation problem.We provide hyperparameters and default architectures that support consistency training over a wide range of different dimensions, including low-dimensional ones which are important in SBI workflows but were previously difficult to tackle even with unconditional consistency models. Our empirical evaluation demonstrates that CMPE not only outperforms current state-of-the-art algorithms on hard low-dimensional benchmarks, but also achieves competitive performance with much faster sampling speed on two realistic estimation problems with high data and/or parameter dimensions.
General bounds on the quality of Bayesian coresets
Authors: Trevor Campbell
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Bayesian coresets speed up posterior inference in the large-scale data regime by approximating the full-data log-likelihood function with a surrogate log-likelihood based on a small, weighted subset of the data. But while Bayesian coresets and methods for construction are applicable in a wide range of models, existing theoretical analysis of the posterior inferential error incurred by coreset approximations only apply in restrictive settings---i.e., exponential family models, or models with strong log-concavity and smoothness assumptions. This work presents general upper and lower bounds on the Kullback-Leibler (KL) divergence of coreset approximations that reflect the full range of applicability of Bayesian coresets. The lower bounds require only mild model assumptions typical of Bayesian asymptotic analyses, while the upper bounds require the log-likelihood functions to satisfy a generalized subexponentiality criterion that is weaker than conditions used in earlier work. The lower bounds are applied to obtain fundamental limitations on the quality of coreset approximations, and to provide a theoretical explanation for the previously-observed poor empirical performance of importance sampling-based construction methods. The upper bounds are used to analyze the performance of recent subsample-optimize methods. The flexibility of the theory is demonstrated in validation experiments involving multimodal, unidentifiable, heavy-tailed Bayesian posterior distributions.
RLE: A Unified Perspective of Data Augmentation for Cross-Spectral Re-Identification
Authors: Tan, Yukang Zhang, Keke Han, Pingyang Dai, Yan Zhang, Yongjian Wu, Rongrong Ji Lei
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper makes a step towards modeling the modality discrepancy in the cross-spectral re-identification task. Based on the Lambertain model, we observe that the non-linear modality discrepancy mainly comes from diverse linear transformations acting on the surface of different materials. From this view, we unify all data augmentation strategies for cross-spectral re-identification as mimicking such local linear transformations and categorize them into moderate transformation and radical transformation. By extending the observation, we propose a Random Linear Enhancement (RLE) strategy which includes Moderate Random Linear Enhancement (MRLE)  and Radical Random Linear Enhancement (RRLE)  to push the boundaries of both types of transformation. Moderate Random Linear Enhancement is designed to provide diverse image transformations that satisfy the original linear correlations under constrained conditions, whereas Radical Random Linear Enhancement seeks to generate local linear transformations directly without relying on external information. The experimental results not only demonstrate the superiority and effectiveness of RLE but also confirm its great potential as a general-purpose data augmentation for cross-spectral re-identification.
4-bit Shampoo for Memory-Efficient Network Training
Authors: Pan Zhou, Jia Li, Hua Huang Sike Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Second-order optimizers, maintaining a matrix termed a preconditioner, are superior to first-order optimizers in both theory and practice.The states forming the preconditioner and its inverse root restrict the maximum size of models trained by second-order optimizers. To address this, compressing 32-bit optimizer states to lower bitwidths has shown promise in reducing memory usage. However, current approaches only pertain to first-order optimizers. In this paper, we propose the first 4-bit second-order optimizers, exemplified by 4-bit Shampoo, maintaining performance similar to that of 32-bit ones. We show that quantizing the eigenvector matrix of the preconditioner in 4-bit Shampoo is remarkably better than quantizing the preconditioner itself both theoretically and experimentally. By rectifying the orthogonality of the quantized eigenvector matrix, we enhance the approximation of the preconditioner's eigenvector matrix, which also benefits the computation of its inverse 4-th root. Besides, we find that linear square quantization slightly outperforms dynamic tree quantization when quantizing second-order optimizer states. Evaluation on various networks for image classification and natural language modeling demonstrates that our 4-bit Shampoo achieves comparable performance to its 32-bit counterpart while being more memory-efficient.