mtybilly/Instruct2DS huggingface dataset:
Crafting Interpretable Embeddings for Language Neuroscience by Asking LLMs Questions
Authors: Chandan Singh, John X. Morris, Richard J. Antonello, Ion Stoica, Alexander G. Huth, Jianfeng Gao Vinamra Benara
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) have rapidly improved text embeddings for a growing array of natural-language processing tasks. However, their opaqueness and proliferation into scientific domains such as neuroscience have created a growing need for interpretability. Here, we ask whether we can obtain interpretable embeddings through LLM prompting. We introduce question-answering embeddings (QA-Emb), embeddings where each feature represents an answer to a yes/no question asked to an LLM. Training QA-Emb reduces to selecting a set of underlying questions rather than learning model weights.We use QA-Emb to flexibly generate interpretable models for predicting fMRI voxel responses to language stimuli. QA-Emb significantly outperforms an established interpretable baseline, and does so while requiring very few questions. This paves the way towards building flexible feature spaces that can concretize and evaluate our understanding of semantic brain representations. We additionally find that QA-Emb can be effectively approximated with an efficient model, and we explore broader applications in simple NLP tasks.
Learning-Augmented Priority Queues
Authors: Christian Coester Ziyad Benomar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Priority queues are one of the most fundamental and widely used data structures in computer science. Their primary objective is to efficiently support the insertion of new elements with assigned priorities and the extraction of the highest priority element.  In this study, we investigate the design of priority queues within the learning-augmented framework, where algorithms use potentially inaccurate predictions to enhance their worst-case performance.We examine three prediction models spanning different use cases, and we show how the predictions can be leveraged to enhance the performance of priority queue operations. Moreover, we demonstrate the optimality of our solution and discuss some possible applications.
SimPO: Simple Preference Optimization with a Reference-Free Reward
Authors: Mengzhou Xia, Danqi Chen Yu Meng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Direct Preference Optimization (DPO) is a widely used offline preference optimization algorithm that reparameterizes reward functions in reinforcement learning from human feedback (RLHF) to enhance simplicity and training stability. In this work, we propose SimPO, a simpler yet more effective approach. The effectiveness of SimPO is attributed to a key design: using the _average_ log probability of a sequence as the implicit reward. This reward formulation better aligns with model generation and eliminates the need for a reference model, making it more compute and memory efficient. Additionally, we introduce a target reward margin to the Bradley-Terry objective to encourage a larger margin between the winning and losing responses, further improving the algorithm's performance. We compare SimPO to DPO and its latest variants across various state-of-the-art training setups, including both base and instruction-tuned models such as Mistral, Llama 3, and Gemma 2. We evaluate on extensive chat-based evaluation benchmarks, including AlpacaEval 2, MT-Bench, and Arena-Hard. Our results demonstrate that SimPO consistently and significantly outperforms existing approaches without substantially increasing response length. Specifically, SimPO outperforms DPO by up to 6.4 points on AlpacaEval 2 and by up to 7.5 points on Arena-Hard. Our top-performing model, built on Gemma-2-9B-it, achieves a 72.4\% length-controlled win rate on AlpacaEval 2, a 59.1\% win rate on Arena-Hard, and ranks 1st on Chatbot Arena among $<$10B models with real user votes.
The Power of Extrapolation in Federated Learning
Authors: Kirill Acharya, Peter Richtárik Hanmin Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose and study several server-extrapolation strategies for enhancing the theoretical and empirical convergence properties of the popular federated learning optimizer FedProx [Li et al., 2020]. While it has long been known that some form of extrapolation can help in the practice of FL, only a handful of works provide any theoretical guarantees. The phenomenon seems elusive, and our current theoretical understanding remains severely incomplete. In our work, we focus on smooth convex or strongly convex problems in the interpolation regime. In particular, we propose Extrapolated FedProx (FedExProx), and study three extrapolation strategies: a constant strategy (depending on various smoothness parameters and the number of participating devices), and two smoothness-adaptive strategies; one based on the notion of gradient diversity (FedExProx-GraDS), and the other one based on the stochastic Polyak stepsize (FedExProx-StoPS). Our theory is corroborated with carefully constructed numerical experiments.
Getting More Juice Out of the SFT Data: Reward Learning from Human Demonstration Improves SFT for LLM Alignment
Authors: Siliang Zeng, Hoi-To Wai, Chenliang Li, Alfredo Garcia, Mingyi Hong Jiaxiang Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Aligning human preference and value is an important requirement for contemporary foundation models. State-of-the-art techniques such as Reinforcement Learning from Human Feedback (RLHF) often consist of two stages: 1) supervised fine-tuning (SFT), where the model is fine-tuned by learning from human demonstration data; 2) Preference learning, where preference data is used to learn a reward model, which is in turn used by a reinforcement learning (RL) step to fine-tune the model. Such reward model serves as a proxy to human preference, and it is critical to guide the RL step towards improving the model quality. In this work, we argue that the SFT stage significantly benefits from learning a reward model as well. Instead of using the human demonstration data directly via supervised learning, we propose to leverage an Inverse Reinforcement Learning (IRL) technique to {\it simultaneously} build an reward model and a policy model. This approach leads to new SFT algorithms that are not only efficient to implement, but are robust to the presence of low-quality supervised learning data. Moreover, we discover a connection between the proposed IRL based approach, and a recent line of works called Self-Play Fine-tune (SPIN, \cite{chen2024self}). Theoretically, we show that the proposed algorithms converge to the stationary solutions of the IRL problem. Empirically, we align 1B and 7B models using proposed methods and evaluate them on a reward benchmark model and the HuggingFace Open LLM Leaderboard. The proposed methods show significant performance improvement over existing SFT approaches. Our results indicate that it is beneficial to leverage reward learning throughout the entire alignment process. Our code is available at \url{https://github.com/JasonJiaxiangLi/RewardlearningSFT}.
Moving Off-the-Grid: Scene-Grounded Video Representations
Authors: Daniel Zoran, Yi Yang, Yulia Rubanova, Rishabh Kabra, Carl Doersch, Dilara Gokay, Joseph Heyward, Etienne Pot, Klaus Greff, Drew A. Hudson, Thomas Albert Keck, Joao Carreira, Alexey Dosovitskiy, Mehdi S. M. Sajjadi, Thomas Kipf Sjoerd van Steenkiste
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current vision models typically maintain a fixed correspondence between their representation structure and image space.Each layer comprises a set of tokens arranged “on-the-grid,” which biases patches or tokens to encode information at a specific spatio(-temporal) location. In this work we present Moving Off-the-Grid (MooG), a self-supervised video representation model that offers an alternative approach, allowing tokens to move “off-the-grid” to better enable them to represent scene elements consistently, even as they move across the image plane through time. By using a combination of cross-attention and positional embeddings we disentangle the representation structure and image structure. We find that a simple self-supervised objective—next frame prediction—trained on video data, results in a set of latent tokens which bind to specific scene structures and track them as they move. We demonstrate the usefulness of MooG’s learned representation both qualitatively and quantitatively by training readouts on top of the learned representation on a variety of downstream tasks. We show that MooG can provide a strong foundation for different vision tasks when compared to “on-the-grid” baselines.
Accuracy is Not All You Need
Authors: Sanjeev Krishnan, Nipun Kwatra, Ramachandran Ramjee Abhinav Dutta
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When Large Language Models (LLMs) are compressed using techniques such as quantization, the predominant way to demonstrate the validity of such techniques is by measuring the model's accuracy on various benchmarks. If the accuracies of the baseline model and the compressed model are close, it is assumed that there was negligible degradation in quality. However, even when the accuracy of baseline and compressed model are similar, we observe the phenomenon of flips, wherein answers change from correct to incorrect and vice versa in proportion. We conduct a detailed study of metrics across multiple compression techniques, models and datasets, demonstrating that the behavior of compressed models as visible to end-users is often significantly different from the baseline model, even when accuracy is similar. We further evaluate compressed models qualitatively and quantitatively using MT-Bench and show that compressed models exhibiting high flips are worse than baseline models in this free-form generative task. Thus, we argue that accuracy and perplexity are necessary but not sufficient for evaluating compressed models, since these metrics hide large underlying changes that have not been observed by previous work. Hence, compression techniques should also be evaluated using distance metrics. We propose two such distance metrics, KL-Divergence and flips, and show that they are well correlated.
LoCo: Learning 3D Location-Consistent Image Features with a Memory-Efficient Ranking Loss
Authors: João Henriques, Dylan Campbell Dominik A. Kloepfer
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Image feature extractors are rendered substantially more useful if different views of the same 3D location yield similar features while still being distinct from other locations. A feature extractor that achieves this goal even under significant viewpoint changes must recognise not just semantic categories in a scene, but also understand how different objects relate to each other in three dimensions. Existing work addresses this task by posing it as a patch retrieval problem, training the extracted features to facilitate retrieval of all image patches that project from the same 3D location. However, this approach uses a loss formulation that requires substantial memory and computation resources, limiting its applicability for large-scale training. We present a method for memory-efficient learning of location-consistent features that reformulates and approximates the smooth average precision objective. This novel loss function enables improvements in memory efficiency by three orders of magnitude, mitigating a key bottleneck of previous methods and allowing much larger models to be trained with the same computational resources. We showcase the improved location consistency of our trained feature extractor directly on a multi-view consistency task, as well as the downstream task of scene-stable panoptic segmentation, significantly outperforming previous state-of-the-art.
Scaling Proprioceptive-Visual Learning with Heterogeneous Pre-trained Transformers
Authors: Xinlei Chen, Jialiang Zhao, Kaiming He Lirui Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: One of the roadblocks for training generalist robotic models today is heterogeneity. Previous robot learning methods often collect data to train with one specific embodiment for one task, which is expensive and prone to overfitting. This work studies the problem of learning policy representations through heterogeneous pre-training on robot data across different embodiments and tasks at scale. We propose Heterogeneous Pre-trained Transformers (HPT), which pre-train a large, shareable trunk of a policy neural network to learn a task and embodiment agnostic shared representation. This general architecture aligns the specific proprioception and vision inputs from distinct embodiments to a short sequence of tokens and then processes such tokens to map to control robots for different tasks. Leveraging the recent large-scale multi-embodiment real-world robotic datasets as well as simulation, deployed robots, and human video datasets, we investigate pre-training policies across heterogeneity. We conduct experiments to investigate the scaling behaviors of training objectives, to the extent of 52 datasets. HPTs outperform several baselines and enhance the fine-tuned policy performance by over 20% on unseen tasks in multiple simulator benchmarks and real-world settings. See the project website (liruiw.github.io/hpt) for code and videos.
FairWire: Fair Graph Generation
Authors: Yanning Shen O. Deniz Kose
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Machine learning over graphs has recently attracted growing attention due to its ability to analyze and learn complex relations within critical interconnected systems. However, the disparate impact that is amplified by the use of biased graph structures in these algorithms has raised significant concerns for their deployment in real-world decision systems. In addition, while synthetic graph generation has become pivotal for privacy and scalability considerations, the impact of generative learning algorithms on structural bias has not yet been investigated. Motivated by this, this work focuses on the analysis and mitigation of structural bias for both real and synthetic graphs. Specifically, we first theoretically analyze the sources of structural bias that result in disparity for the predictions of dyadic relations. To alleviate the identified bias factors, we design a novel fairness regularizer that offers a versatile use. Faced with the bias amplification in graph generation models brought to light in this work, we further propose a fair graph generation framework, FairWire, by leveraging our fair regularizer design in a generative model. Experimental results on real-world networks validate that the proposed tools herein deliver effective structural bias mitigation for both real and synthetic graphs.
ACFun: Abstract-Concrete Fusion Facial Stylization
Authors: Kun Wei, Ziqi Zhang, Cheng Deng Jiapeng Ji
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Owing to advancements in image synthesis techniques, stylization methodologies for large models have garnered remarkable outcomes. However, when it comes to processing facial images, the outcomes frequently fall short of expectations. Facial stylization is predominantly challenged by two significant hurdles. Firstly, obtaining a large dataset of high-quality stylized images is difficult. The scarcity and diversity of artistic styles make it impractical to compile comprehensive datasets for each style. Secondly, while many methods can transfer colors and strokes from style images, these elements alone cannot fully capture a specific style, which encompasses both concrete and abstract visual elements. Additionally, facial stylization often alters the visual features of the face, making it challenging to balance these changes with the need to retain facial information. To address these issues, we propose a novel method called ACFun, which uses only one style image and one facial image for facial stylization. ACFun comprises an Abstract Fusion Module (AFun) and a Concrete Fusion Module (CFun), which separately learn the abstract and concrete features of the style and face. We also design a Face and Style Imagery Alignment Loss to align the style image with the face image in the latent space. Finally, we generate styled facial images from noise directly to complete the facial stylization task. Experiments show that our method outperforms others in facial stylization, producing highly artistic and visually pleasing results.
Learning Optimal Tax Design in Nonatomic Congestion Games
Authors: Maryam Fazel, Simon S. Du Qiwen Cui
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In multiplayer games, self-interested behavior among the players can harm the social welfare. Tax mechanisms are a common method to alleviate this issue and induce socially optimal behavior. In this work, we take the initial step of learning the optimal tax that can maximize social welfare with limited feedback in congestion games. We propose a new type of feedback named \emph{equilibrium feedback}, where the tax designer can only observe the Nash equilibrium after deploying a tax plan. Existing algorithms are not applicable due to the exponentially large tax function space, nonexistence of the gradient, and nonconvexity of the objective. To tackle these challenges, we design a computationally efficient algorithm that leverages several novel components: (1) a piece-wise linear tax to approximate the optimal tax; (2) extra linear terms to guarantee a strongly convex potential function; (3) an efficient subroutine to find the exploratory tax that can provide critical information about the game. The algorithm can find an $\epsilon$-optimal tax with $O(\beta F^2/\epsilon)$ sample complexity, where $\beta$ is the smoothness of the cost function and $F$ is the number of facilities.
Pedestrian Trajectory Prediction with Missing Data: Datasets, Imputation, and Benchmarking
Authors: Pravendra Singh Pranav Singh Chib
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Pedestrian trajectory prediction is crucial for several applications such as robotics and self-driving vehicles. Significant progress has been made in the past decade thanks to the availability of pedestrian trajectory datasets, which enable trajectory prediction methods to learn from pedestrians' past movements and predict future trajectories. However, these datasets and methods typically assume that the observed trajectory sequence is complete, ignoring real-world issues such as sensor failure, occlusion, and limited fields of view that can result in missing values in observed trajectories. To address this challenge, we present TrajImpute, a pedestrian trajectory prediction dataset that simulates missing coordinates in the observed trajectory, enhancing real-world applicability. TrajImpute maintains a uniform distribution of missing data within the observed trajectories. In this work, we comprehensively examine several imputation methods to reconstruct the missing coordinates and benchmark them for imputing pedestrian trajectories. Furthermore, we provide a thorough analysis of recent trajectory prediction methods and evaluate the performance of these models on the imputed trajectories. Our experimental evaluation of the imputation and trajectory prediction methods offers several valuable insights. Our dataset provides a foundational resource for future research on imputation-aware pedestrian trajectory prediction, potentially accelerating the deployment of these methods in real-world applications. Publicly accessible links to the datasets and code files are available at https://github.com/Pranav-chib/TrajImpute.
Large Language Models as Urban Residents: An LLM Agent Framework for Personal Mobility Generation
Authors: Renhe Jiang, Chuang Yang, Zengqing Wu, Makoto Onizuka, Ryosuke Shibasaki, Noboru Koshizuka, Chuan Xiao Jiawei Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper introduces a novel approach using Large Language Models (LLMs) integrated into an agent framework for flexible and effective personal mobility generation. LLMs overcome the limitations of previous models by effectively processing semantic data and offering versatility in modeling various tasks. Our approach addresses three research questions: aligning LLMs with real-world urban mobility data, developing reliable activity generation strategies, and exploring LLM applications in urban mobility. The key technical contribution is a novel LLM agent framework that accounts for individual activity patterns and motivations, including a self-consistency approach to align LLMs with real-world activity data and a retrieval-augmented strategy for interpretable activity generation. We evaluate our LLM agent framework and compare it with state-of-the-art personal mobility generation approaches, demonstrating the effectiveness of our approach and its potential applications in urban mobility. Overall, this study marks the pioneering work of designing an LLM agent framework for activity generation based on real-world human activity data, offering a promising tool for urban mobility analysis.
EHRNoteQA: An LLM Benchmark for Real-World Clinical Practice Using Discharge Summaries
Authors: Jiyoun Kim, Heeyoung Kwak, Dongchul Cha, Hangyul Yoon, Kwanghyun Kim, Jeewon Yang, Seunghyun Won, Edward Choi Sunjun Kweon
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Discharge summaries in Electronic Health Records (EHRs) are crucial for clinical decision-making, but their length and complexity make information extraction challenging, especially when dealing with accumulated summaries across multiple patient admissions. Large Language Models (LLMs) show promise in addressing this challenge by efficiently analyzing vast and complex data. Existing benchmarks, however, fall short in properly evaluating LLMs' capabilities in this context, as they typically focus on single-note information or limited topics, failing to reflect the real-world inquiries required by clinicians. To bridge this gap, we introduce EHRNoteQA, a novel benchmark built on the MIMIC-IV EHR, comprising 962 different QA pairs each linked to distinct patients' discharge summaries. Every QA pair is initially generated using GPT-4 and then manually reviewed and refined by three clinicians to ensure clinical relevance. EHRNoteQA includes questions that require information across multiple discharge summaries and covers eight diverse topics, mirroring the complexity and diversity of real clinical inquiries. We offer EHRNoteQA in two formats: open-ended and multi-choice question answering, and propose a reliable evaluation method for each. We evaluate 27 LLMs using EHRNoteQA and examine various factors affecting the model performance (e.g., the length and number of discharge summaries). Furthermore, to validate EHRNoteQA as a reliable proxy for expert evaluations in clinical practice, we measure the correlation between the LLM performance on EHRNoteQA, and the LLM performance manually evaluated by clinicians. Results show that LLM performance on EHRNoteQA have higher correlation with clinician-evaluated performance (Spearman: 0.78, Kendall: 0.62) compared to other benchmarks, demonstrating its practical relevance in evaluating LLMs in clinical settings. EHRNoteQA will be publicly available to support further research and improve LLM evaluation in clinical practice. EHRNoteQA is publicly available under PhysioNet credential access at https://doi.org/10.13026/acga-ht95, and the code is available at https://github.com/ji-youn-kim/EHRNoteQA.
Distributional Successor Features Enable Zero-Shot Policy Optimization
Authors: Xinqi Wang, Tyler Han, Simon Shaolei Du, Abhishek Gupta Chuning Zhu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Intelligent agents must be generalists, capable of quickly adapting to various tasks. In reinforcement learning (RL), model-based RL learns a dynamics model of the world, in principle enabling transfer to arbitrary reward functions through planning. However, autoregressive model rollouts suffer from compounding error, making model-based RL ineffective for long-horizon problems. Successor features offer an alternative by modeling a policy's long-term state occupancy, reducing policy evaluation under new rewards to linear regression. Yet, policy optimization with successor features can be challenging. This work proposes a novel class of models, i.e., Distributional Successor Features for Zero-Shot Policy Optimization (DiSPOs), that learn a distribution of successor features of a stationary dataset's behavior policy, along with a policy that acts to realize different successor features within the dataset. By directly modeling long-term outcomes in the dataset, DiSPOs avoid compounding error while enabling a simple scheme for zero-shot policy optimization across reward functions. We present a practical instantiation of DiSPOs using diffusion models and show their efficacy as a new class of transferable models, both theoretically and empirically across various simulated robotics problems. Videos and code are available at https://weirdlabuw.github.io/dispo/.
A Unified Confidence Sequence for Generalized Linear Models, with Applications to Bandits
Authors: Se-Young Yun, Kwang-Sung Jun Jungyhun Lee
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present a unified likelihood ratio-based confidence sequence (CS) for *any* (self-concordant) generalized linear model (GLM) that is guaranteed to be convex and numerically tight. We show that this is on par or improves upon known CSs for various GLMs, including Gaussian, Bernoulli, and Poisson. In particular, for the first time, our CS for Bernoulli has a $\mathrm{poly}(S)$-free radius where $S$ is the norm of the unknown parameter. Our first technical novelty is its derivation, which utilizes a time-uniform PAC-Bayesian bound with a uniform prior/posterior, despite the latter being a rather unpopular choice for deriving CSs. As a direct application of our new CS, we propose a simple and natural optimistic algorithm called **OFUGLB**, applicable to *any* generalized linear bandits (**GLB**; Filippi et al. (2010)). Our analysis shows that the celebrated optimistic approach simultaneously attains state-of-the-art regrets for various self-concordant (not necessarily bounded) **GLB**s, and even $\mathrm{poly}(S)$-free for bounded **GLB**s, including logistic bandits. The regret analysis, our second technical novelty, follows from combining our new CS with a new proof technique that completely avoids the previously widely used self-concordant control lemma (Faury et al., 2020, Lemma 9). Numerically, **OFUGLB** outperforms or is at par with prior algorithms for logistic bandits.
Transductive Active Learning: Theory and Applications
Authors: Bhavya Sukhija, Lenart Treven, Yarden As, Andreas Krause Jonas Hübotter
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study a generalization of classical active learning to real-world settings with concrete prediction targets where sampling is restricted to an accessible region of the domain, while prediction targets may lie outside this region.We analyze a family of decision rules that sample adaptively to minimize uncertainty about prediction targets.We are the first to show, under general regularity assumptions, that such decision rules converge uniformly to the smallest possible uncertainty obtainable from the accessible data.We demonstrate their strong sample efficiency in two key applications: active fine-tuning of large neural networks and safe Bayesian optimization, where they achieve state-of-the-art performance.
On the Curses of Future and History in Future-dependent Value Functions for Off-policy Evaluation
Authors: Nan Jiang Yuheng Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study off-policy evaluation (OPE) in partially observable environments with complex observations, with the goal of developing estimators whose guarantee avoids exponential dependence on the horizon. While such estimators exist for MDPs and POMDPs can be converted to history-based MDPs, their estimation errors depend on the state-density ratio for MDPs which becomes history ratios after  conversion, an exponential object. Recently, Uehara et al. [2022a] proposed future-dependent value functions as a promising framework to address this issue, where the guarantee for memoryless policies depends on the density ratio over the latent state space. However, it also depends on the boundedness of the future-dependent value function and other related quantities, which we show could be exponential-in-length and thus erasing the advantage of the method. In this paper, we discover novel coverage assumptions tailored to the structure of POMDPs, such as outcome coverage and belief coverage, which enable polynomial bounds on the aforementioned quantities. As a side product, our analyses also lead to the discovery of new algorithms with complementary properties.
CausalDiff: Causality-Inspired Disentanglement via Diffusion Model for Adversarial Defense
Authors: Keping Bi, Wei Chen, Quanrun Chen, Jiafeng Guo, Xueqi Cheng Mingkun Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite ongoing efforts to defend neural classifiers from adversarial attacks, they remain vulnerable, especially to unseen attacks. In contrast, humans are difficult to be cheated by subtle manipulations, since we make judgments only based on essential factors. Inspired by this observation, we attempt to model label generation with essential label-causative factors and incorporate label-non-causative factors to assist data generation. For an adversarial example, we aim to discriminate the perturbations as non-causative factors and make predictions only based on the label-causative factors. Concretely, we propose a casual diffusion model (CausalDiff) that adapts diffusion models for conditional data generation and disentangles the two types of casual factors by learning towards a novel casual information bottleneck objective. Empirically, CausalDiff has significantly outperformed state-of-the-art defense methods on various unseen attacks, achieving an average robustness of 86.39\% (+4.01\%) on CIFAR-10, 56.25\% (+3.13\%) on CIFAR-100, and 82.62\% (+4.93\%) on GTSRB (German Traffic Sign Recognition Benchmark). The code is available athttps://github.com/CAS-AISafetyBasicResearchGroup/CausalDiff.
A Method for Evaluating Hyperparameter Sensitivity in Reinforcement Learning
Authors: Michael Bowling, Adam White Jacob Adkins
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The performance of modern reinforcement learning algorithms critically relieson tuning ever increasing numbers of hyperparameters. Often, small changes ina hyperparameter can lead to drastic changes in performance, and different environments require very different hyperparameter settings to achieve state-of-the-artperformance reported in the literature. We currently lack a scalable and widelyaccepted approach to characterizing these complex interactions. This work proposes a new empirical methodology for studying, comparing, and quantifying thesensitivity of an algorithm’s performance to hyperparameter tuning for a given setof environments. We then demonstrate the utility of this methodology by assessingthe hyperparameter sensitivity of several commonly used normalization variants ofPPO. The results suggest that several algorithmic performance improvements may,in fact, be a result of an increased reliance on hyperparameter tuning.
Almost Surely Asymptotically Constant Graph Neural Networks
Authors: Michael Benedikt, İsmail İlkan Ceylan, Ben Finkelshtein Sam Adam-Day
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present a new angle on the expressive power of graph neural networks (GNNs) by studying how the predictions of real-valued GNN classifiers, such as those classifying graphs probabilistically, evolve as we apply them on larger graphs drawn from some random graph model. We show that the output converges to a constant function, which upper-bounds what these classifiers can uniformly express. This strong convergence phenomenon applies to a very wide class of GNNs, including state of the art models, with aggregates including mean and the attention-based mechanism of graph transformers. Our results apply to a broad class of random graph models, including sparse and dense variants of the Erdős-Rényi model, the stochastic block model, and the Barabási-Albert model. We empirically validate these findings, observing that the convergence phenomenon appears not only on random graphs but also on some real-world graphs.
Identifying Latent State-Transition Processes for Individualized Reinforcement Learning
Authors: Biwei Huang, Yu Yao, Donghuo Zeng, Xinshuai Dong, Songyao Jin, Boyang Sun, Roberto Legaspi, Kazushi Ikeda, Peter Spirtes, Kun Zhang Yuewen Sun
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The application of reinforcement learning (RL) involving interactions with individuals has grown significantly in recent years. These interactions, influenced by factors such as personal preferences and physiological differences, causally influence state transitions, ranging from health conditions in healthcare to learning progress in education. As a result, different individuals may exhibit different state-transition processes. Understanding individualized state-transition processes is essential for optimizing individualized policies. In practice, however, identifying these state-transition processes is challenging, as individual-specific factors often remain latent. In this paper, we establish the identifiability of these latent factors and introduce a practical method that effectively learns these processes from observed state-action trajectories. Experiments on various datasets show that the proposed method can effectively identify latent state-transition processes and facilitate the learning of individualized RL policies.
SpaceByte: Towards Deleting Tokenization from Large Language Modeling
Authors: Kevin Slagle
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Tokenization is widely used in large language models because it significantly improves performance. However, tokenization imposes several disadvantages, such as performance biases, increased adversarial vulnerability, decreased character-level modeling performance, and increased modeling complexity. To address these disadvantages without sacrificing performance, we propose SpaceByte, a novel byte-level decoder architecture that closes the performance gap between byte-level and subword autoregressive language modeling. SpaceByte consists of a byte-level Transformer model, but with extra larger transformer blocks inserted in the middle of the layers. We find that performance is significantly improved by applying these larger blocks only after certain bytes, such as space characters, which typically denote word boundaries. Our experiments show that for a fixed training and inference compute budget, SpaceByte outperforms other byte-level architectures and roughly matches the performance of tokenized Transformer architectures.
Open-Vocabulary Object Detection via Language Hierarchy
Authors: Jingyi Zhang, Kai Jiang, Shijian Lu Jiaxing Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent studies on generalizable object detection have attracted increasing attention with additional weak supervision from large-scale datasets with image-level labels.However, weakly-supervised detection learning often suffers from image-to-box label mismatch, i.e., image-levellabels do not convey precise object information.We design Language Hierarchical Self-training (LHST) that introduces language hierarchy into weakly-supervised detector training for learning more generalizable detectors.LHST expands the image-level labels with language hierarchy and enables co-regularization between the expanded labels and self-training. Specifically, the expanded labels regularize self-training by providing richer supervision and mitigating the image-to-box label mismatch, while self-training allows assessing and selecting the expanded labels according to the predicted reliability.In addition, we design language hierarchical prompt generation that introduces language hierarchy into prompt generation which helps bridge the vocabulary gaps between training and testing.Extensive experiments show that the proposed techniques achieve superior generalization performance consistently across 14 widely studied object detection datasets.
Tolerant Algorithms for Learning with Arbitrary Covariate Shift
Authors: Abhishek Shetty, Konstantinos Stavropoulos, Arsen Vasilyan Surbhi Goel
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the problem of learning under arbitrary distribution shift, where the learner is trained on a labeled set from one distribution but evaluated on a different, potentially adversarially generated test distribution. We focus on two frameworks: PQ learning [GKKM'20], allowing abstention on adversarially generated parts of the test distribution, and TDS learning [KSV'23], permitting abstention on the entire test distribution if distribution shift is detected. All prior known algorithms either rely on learning primitives that are computationally hard even for simple function classes, or end up abstaining entirely even in the presence of a tiny amount of distribution shift.      We address both these challenges for natural function classes, including intersections of halfspaces and decision trees, and standard training distributions, including Gaussians. For PQ learning, we give efficient learning algorithms, while for TDS learning, our algorithms can tolerate moderate amounts of distribution shift. At the core of our approach is an improved analysis of spectral outlier-removal techniques from learning with nasty noise.    Our analysis can (1) handle arbitrarily large fraction of outliers, which is crucial for handling arbitrary distribution shifts, and (2) obtain stronger bounds on polynomial moments of the distribution after outlier removal, yielding new insights into polynomial regression under distribution shifts. Lastly, our techniques lead to novel results for tolerant testable learning [RV'23], and learning with nasty noise.
Confidence Regulation Neurons in Language Models
Authors: Ben Wu, Wes Gurnee, Yonatan Belinkov, Xingyi Song, Mrinmaya Sachan, Neel Nanda Alessandro Stolfo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite their widespread use, the mechanisms by which large language models (LLMs) represent and regulate uncertainty in next-token predictions remain largely unexplored. This study investigates two critical components believed to influence this uncertainty: the recently discovered entropy neurons and a new set of components that we term token frequency neurons. Entropy neurons are characterized by an unusually high weight norm and influence the final layer normalization (LayerNorm) scale to effectively scale down the logits. Our work shows that entropy neurons operate by writing onto an \textit{unembedding null space}, allowing them to impact the residual stream norm with minimal direct effect on the logits themselves. We observe the presence of entropy neurons across a range of models, up to 7 billion parameters. On the other hand, token frequency neurons, which we discover and describe here for the first time, boost or suppress each token’s logit proportionally to its log frequency, thereby shifting the output distribution towards or away from the unigram distribution. Finally, we present a detailed case study where entropy neurons actively manage confidence: the setting of induction, i.e. detecting and continuing repeated subsequences.
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation
Authors: Xiner Li, Hongyi Ling, Kenna Ashen, Carl Edwards, Raymundo Arróyave, Marinka Zitnik, Heng Ji, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji Keqiang Yan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider the problem of crystal materials generation using language models (LMs). A key step is to convert 3D crystal structures into 1D sequences to be processed by LMs. Prior studies used the crystallographic information framework (CIF) file stream, which fails to ensure SE(3) and periodic invariance and may not lead to unique sequence representations for a given crystal structure. Here, we propose a novel method, known as Mat2Seq, to tackle this challenge. Mat2Seq converts 3D crystal structures into 1D sequences and ensures that different mathematical descriptions of the same crystal are represented in a single unique sequence, thereby provably achieving SE(3) and periodic invariance. Experimental results show that, with language models, Mat2Seq achieves promising performance in crystal structure generation as compared with prior methods.
Adaptive Passive-Aggressive Framework for Online Regression with Side Information
Authors: Jiaxi Ying, Daniel P. Palomar Runhao Shi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The Passive-Aggressive (PA) method is widely used in online regression problems for handling large-scale streaming data, typically updating model parameters in a passive-aggressive manner based on whether the error exceeds a predefined threshold. However, this approach struggles with determining optimal thresholds and adapting to complex scenarios with side information, where tracking accuracy is not the sole metric in the regression model. To address these challenges, we introduce a novel adaptive framework that allows finer adjustments to the weight vector in PA using side information. This framework adaptively selects the threshold parameter in PA, theoretically ensuring convergence to the optimal setting. Additionally, we present an efficient implementation of our algorithm that significantly reduces computational complexity. Numerical experiments show that our model achieves outstanding performance associated with the side information while maintaining low tracking error, demonstrating marked improvements over traditional PA methods across various scenarios.
Assembly Fuzzy Representation on Hypergraph for Open-Set 3D Object Retrieval
Authors: Yifan Feng, Jun Zhang, Jun-Hai Yong, Yue Gao Yang Xu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The lack of object-level labels presents a significant challenge for 3D object retrieval in the open-set environment. However, part-level shapes of objects often share commonalities across categories but remain underexploited in existing retrieval methods. In this paper, we introduce the Hypergraph-Based Assembly Fuzzy Representation (HARF) framework, which navigates the intricacies of open-set 3D object retrieval through a bottom-up lens of Part Assembly. To tackle the challenge of assembly isomorphism and unification, we propose the Hypergraph Isomorphism Convolution (HIConv) for smoothing and adopt the Isomorphic Assembly Embedding (IAE) module to generate assembly embeddings with geometric-semantic consistency. To address the challenge of open-set category generalization, our method employs high-order correlations and fuzzy representation to mitigate distribution skew through the Structure Fuzzy Reconstruction (SFR) module, by constructing a leveraged hypergraph based on local certainty and global uncertainty correlations. We construct three open-set retrieval datasets for 3D objects with part-level annotations: OP-SHNP, OP-INTRA, and OP-COSEG. Extensive experiments and ablation studies on these three benchmarks show our method outperforms current state-of-the-art methods.
Unique3D: High-Quality and Efficient 3D Mesh Generation from a Single Image
Authors: Fangfu Liu, Zhihan Cai, Runjie Yan, Hanyang Wang, Yating Hu, Yueqi Duan, Kaisheng Ma Kailu Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this work, we introduce Unique3D, a novel image-to-3D framework for efficiently generating high-quality 3D meshes from single-view images, featuring state-of-the-art generation fidelity and strong generalizability. Previous methods based on Score Distillation Sampling (SDS) can produce diversified 3D results by distilling 3D knowledge from large 2D diffusion models, but they usually suffer from long per-case optimization time with inconsistent issues. Recent works address the problem and generate better 3D results either by finetuning a multi-view diffusion model or training a fast feed-forward model. However, they still lack intricate textures and complex geometries due to inconsistency and limited generated resolution. To simultaneously achieve high fidelity, consistency, and efficiency in single image-to-3D, we propose a novel framework Unique3D that includes a multi-view diffusion model with a corresponding normal diffusion model to generate multi-view images with their normal maps, a multi-level upscale process to progressively improve the resolution of generated orthographic multi-views, as well as an instant and consistent mesh reconstruction algorithm called ISOMER, which fully integrates the color and geometric priors into mesh results. Extensive experiments demonstrate that our Unique3D significantly outperforms other image-to-3D baselines in terms of geometric and textural details.