mtybilly/Instruct2DS huggingface dataset:
Decoupled Kullback-Leibler Divergence Loss
Authors: Zhuotao Tian, Zhisheng Zhong, Xiaojuan Qi, Bei Yu, Hanwang Zhang Jiequan Cui
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we delve deeper into the Kullback–Leibler (KL) Divergence loss and mathematically prove that it is equivalent to the Decoupled Kullback-Leibler (DKL) Divergence loss that consists of 1) a weighted Mean Square Error ($\mathbf{w}$MSE) loss and 2) a Cross-Entropy loss incorporating soft labels. Thanks to the decomposed formulation of DKL loss, we have identified two areas for improvement. Firstly, we address the limitation of KL/DKL in scenarios like knowledge distillation by breaking its asymmetric optimization property. This modification ensures that the $\mathbf{w}$MSE component is always effective during training, providing extra constructive cues.Secondly, we introduce class-wise global information into KL/DKL to mitigate bias from individual samples.With these two enhancements, we derive the Improved Kullback–Leibler (IKL) Divergence loss and evaluate its effectiveness by conducting experiments on CIFAR-10/100 and ImageNet datasets, focusing on adversarial training, and knowledge distillation tasks. The proposed approach achieves new state-of-the-art adversarial robustness on the public leaderboard --- \textit{RobustBench} and competitive performance on knowledge distillation, demonstrating the substantial practical merits. Our code is available at https://github.com/jiequancui/DKL.
Small steps no more: Global convergence of stochastic gradient bandits for arbitrary learning rates
Authors: Bo Dai, Alekh Agarwal, Sharan Vaswani, Anant Raj, Csaba Szepesvári, Dale Schuurmans Jincheng Mei
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We provide a new understanding of the stochastic gradient bandit algorithm by showing that it converges to a globally optimal policy almost surely using \emph{any} constant learning rate. This result demonstrates that the stochastic gradient algorithm continues to balance exploration and exploitation appropriately even in scenarios where standard smoothness and noise control assumptions break down. The proofs are based on novel findings about action sampling rates and the relationship between cumulative progress and noise, and extend the current understanding of how simple stochastic gradient methods behave in bandit settings.
Oja's Algorithm for Streaming Sparse PCA
Authors: Purnamrita Sarkar Syamantak Kumar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Oja's algorithm for Streaming Principal Component Analysis (PCA) for $n$ data-points in a $d$ dimensional space achieves the same sin-squared error $O(r_{\mathsf{eff}}/n)$ as the offline algorithm in $O(d)$ space and $O(nd)$ time and a single pass through the datapoints. Here $r_{\mathsf{eff}}$ is the effective rank (ratio of the trace and the principal eigenvalue of the population covariance matrix $\Sigma$). Under this computational budget, we consider the problem of sparse PCA, where the principal eigenvector of $\Sigma$ is $s$-sparse, and $r_{\mathsf{eff}}$ can be large. In this setting, to our knowledge, *there are no known single-pass algorithms* that achieve the minimax error bound in $O(d)$ space and $O(nd)$ time without either requiring strong initialization conditions or assuming further structure (e.g., spiked) of the covariance matrix.We show that a simple single-pass procedure that thresholds the output of Oja's algorithm (the Oja vector) can achieve the minimax error bound under some regularity conditions in $O(d)$ space and $O(nd)$ time.  We present a nontrivial and novel analysis of the entries of the unnormalized Oja vector, which involves the projection of a product of independent random matrices on a random initial vector. This is completely different from previous analyses of Oja's algorithm and matrix products, which have been done when the $r_{\mathsf{eff}}$ is bounded.
Fair and Welfare-Efficient Constrained Multi-Matchings under Uncertainty
Authors: Justin Payan, Cyrus Cousins, Yair Zick Elita Lobo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study fair allocation of constrained resources, where a market designer optimizes overall welfare while maintaining group fairness. In many large-scale settings, utilities are not known in advance, but are instead observed after realizing the allocation. We therefore estimate agent utilities using machine learning. Optimizing over estimates requires trading-off between mean utilities and their predictive variances. We discuss these trade-offs under two paradigms for preference modeling – in the stochastic optimization regime, the market designer has access to a probability distribution over utilities, and in the robust optimization regime they have access to an uncertainty set containing the true utilities with high probability. We discuss utilitarian and egalitarian welfare objectives, and we explore how to optimize for them under stochastic and robust paradigms. We demonstrate the efficacy of our approaches on three publicly available conference reviewer assignment datasets. The approaches presented enable scalable constrained resource allocation under uncertainty for many combinations of objectives and preference models.
Randomized Exploration in Cooperative Multi-Agent Reinforcement Learning
Authors: Weixin Wang, Miroslav Pajic, Pan Xu Hao-Lun Hsu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present the first study on provably efficient randomized exploration in cooperative multi-agent reinforcement learning (MARL). We propose a unified algorithm framework for randomized exploration in parallel Markov Decision Processes (MDPs), and two Thompson Sampling (TS)-type algorithms, CoopTS-PHE and CoopTS-LMC, incorporating the perturbed-history exploration (PHE) strategy and the Langevin Monte Carlo exploration (LMC) strategy respectively, which are flexible in design and easy to implement in practice. For a special class of parallel MDPs where the transition is (approximately) linear, we theoretically prove that both CoopTS-PHE and CoopTS-LMC achieve a $\widetilde{\mathcal{O}}(d^{3/2}H^2\sqrt{MK})$ regret bound with communication complexity $\widetilde{\mathcal{O}}(dHM^2)$, where $d$ is the feature dimension, $H$ is the horizon length, $M$ is the number of agents, and $K$ is the number of episodes. This is the first theoretical result for randomized exploration in cooperative MARL. We evaluate our proposed method on multiple parallel RL environments, including a deep exploration problem (i.e., $N$-chain), a video game, and a real-world problem in energy systems. Our experimental results support that our framework can achieve better performance, even under conditions of misspecified transition models. Additionally, we establish a connection between our unified framework and the practical application of federated learning.
Stochastic Kernel Regularisation Improves Generalisation in Deep Kernel Machines
Authors: Ben Anson, Laurence Aitchison Edward Milsom
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent work developed convolutional deep kernel machines, achieving 92.7% test accuracy on CIFAR-10 using a ResNet-inspired architecture, which is SOTA for kernel methods. However, this still lags behind neural networks, which easily achieve over 94% test accuracy with similar architectures. In this work we introduce several modifications to improve the convolutional deep kernel machine’s generalisation, including stochastic kernel regularisation, which adds noise to the learned Gram matrices during training. The resulting model achieves 94.5% test accuracy on CIFAR-10. This finding has important theoretical and practical implications, as it demonstrates that the ability to perform well on complex tasks like image classification is not unique to neural networks. Instead, other approaches including deep kernel methods can achieve excellent performance on such tasks, as long as they have the capacity to learn representations from data.
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
Authors: Zhen Wang, Feng Yu, Guolin Ke, Zhewei Wei, Zhifeng Gao Gengmo Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information.Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise. It is challenging to identify an inductive bias that consistently maintains the integrity of molecular activity during data augmentation. To tackle these challenges, we propose S-MolSearch, the first framework to our knowledge, that leverages molecular 3D information and affinity information in semi-supervised contrastive learning for ligand-based virtual screening. % S-MolSearch processes both labeled and unlabeled data, trains molecular structural encoders, and generates soft labels for unlabeled data, drawing on the principles of inverse optimal transport.Drawing on the principles of inverse optimal transport, S-MolSearch efficiently processes both labeled and unlabeled data, training molecular structural encoders while generating soft labels for the unlabeled data.This design allows S-MolSearch to adaptively utilize unlabeled data within the learning process.Empirically, S-MolSearch demonstrates superior performance on widely-used benchmarks LIT-PCBA and DUD-E. It surpasses both structure-based and ligand-based virtual screening methods for AUROC, BEDROC and EF.
Gaussian Process Bandits for Top-k Recommendations
Authors: Daniel Sheldon, Cameron Musco Mohit Yadav
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Algorithms that utilize bandit feedback to optimize top-k recommendations are vital for online marketplaces, search engines, and content platforms.  However, the combinatorial nature of this problem poses a significant challenge,  as the possible number of ordered top-k recommendations from $n$ items grows exponentially with $k$. As a result, previous work often relies on restrictive assumptions about the reward or bandit feedback models, such as assuming that the feedback discloses rewards for each recommended item rather than a single scalar feedback for the entire set of top-k recommendations. We introduce a novel contextual bandit algorithm for top-k recommendations, leveraging a Gaussian process with a Kendall kernel to model the reward function.Our algorithm requires only scalar feedback from the top-k recommendations and does not impose restrictive assumptions on the reward structure. Theoretical analysis confirms that the proposed algorithm achieves sub-linear regret in relation to the number of rounds and arms. Additionally, empirical results using a bandit simulator demonstrate that the proposed algorithm outperforms other baselines across various scenarios.
Universal Rates for Active Learning
Authors: Amin Karbasi, Shay Moran, Grigoris Velegkas Steve Hanneke
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this work we study the problem of actively learning binary classifiers  from a given concept class, i.e., learning by utilizing unlabeled data   and submitting targeted queries about their labels to a domain expert.  We evaluate the quality of our solutions by considering the learning curves  they induce, i.e., the rate of decrease  of the misclassification probability as the number of label queries  increases. The majority of the literature on active learning has   focused on obtaining uniform guarantees on the error rate which are  only able to explain the upper envelope of the learning curves over families  of different data-generating distributions. We diverge from this line of  work and we focus on the distribution-dependent framework of universal  learning whose goal is to obtain guarantees that hold for any fixed distribution,  but do not apply uniformly over all the distributions. We provide a   complete characterization of the optimal learning rates that are achievable  by algorithms that have to specify the number of unlabeled examples they  use ahead of their execution. Moreover, we identify combinatorial complexity  measures that give rise to each case of our tetrachotomic characterization.  This resolves an open question that was posed by Balcan et al. (2010).  As a byproduct of our main result,  we develop an active learning algorithm for partial concept classes  that achieves exponential learning rates in the uniform setting.
Full-Atom Peptide Design with Geometric Latent Diffusion
Authors: Yinjun Jia, Wenbing Huang, Yang Liu Xiangzhe Kong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable. Most existing methods are either inefficient or only concerned with the target-agnostic design of 1D sequences. In this paper, we propose a generative model for full-atom Peptide design with Geometric LAtent Diffusion (PepGLAD) given the binding site. We first establish a benchmark consisting of both 1D sequences and 3D structures from Protein Data Bank (PDB) and literature for systematic evaluation. We then identify two major challenges of leveraging current diffusion-based models for peptide design: the full-atom geometry and the variable binding geometry. To tackle the first challenge, PepGLAD derives a variational autoencoder that first encodes full-atom residues of variable size into fixed-dimensional latent representations, and then decodes back to the residue space after conducting the diffusion process in the latent space. For the second issue, PepGLAD explores a receptor-specific affine transformation to convert the 3D coordinates into a shared standard space, enabling better generalization ability across different binding shapes. Experimental Results show that our method not only improves diversity and binding affinity significantly in the task of sequence-structure co-design, but also excels at recovering reference structures for binding conformation generation.
ReF-LDM: A Latent Diffusion Model for Reference-based Face Image Restoration
Authors: Yu-Lun Liu, Cheng-Kun Yang, Sheng-Po Kuo, Yucheun Kevin Jou, Chia-Ping Chen Chi-Wei Hsiao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While recent works on blind face image restoration have successfully produced impressive high-quality (HQ) images with abundant details from low-quality (LQ) input images, the generated content may not accurately reflect the real appearance of a person. To address this problem, incorporating well-shot personal images as additional reference inputs may be a promising strategy. Inspired by the recent success of the Latent Diffusion Model (LDM) in image generation, we propose ReF-LDM—an adaptation of LDM designed to generate HQ face images conditioned on one LQ image and multiple HQ reference images. Our LDM-based model incorporates an effective and efficient mechanism, CacheKV, for conditioning on reference images. Additionally, we design a timestep-scaled identity loss, enabling LDM to focus on learning the discriminating features of human faces. Lastly, we construct FFHQ-ref, a dataset consisting of 20,406 high-quality (HQ) face images with corresponding reference images, which can serve as both training and evaluation data for reference-based face restoration models.
The Implicit Bias of Gradient Descent toward Collaboration between Layers: A Dynamic Analysis of Multilayer Perceptions
Authors: Geyong Min, Wenjie Ruan Zheng Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The implicit bias of gradient descent has long been considered the primary mechanism explaining the superior generalization of over-parameterized neural networks without overfitting, even when the training error is zero. However, the implicit bias toward adversarial robustness has rarely been considered in the research community, although it is crucial for the trustworthiness of machine learning models. To fill this gap, in this paper, we explore whether consecutive layers collaborate to strengthen adversarial robustness during gradient descent. By quantifying this collaboration between layers using our proposed concept, co-correlation, we demonstrate a monotonically increasing trend in co-correlation, which implies a decreasing trend in adversarial robustness during gradient descent. Additionally, we observe different behaviours between narrow and wide neural networks during gradient descent. We conducted extensive experiments that verified our proposed theorems.
TableRAG: Million-Token Table Understanding with Language Models
Authors: Lesly Miculicich, Julian Martin Eisenschlos, Zifeng Wang, Zilong Wang, Yanfei Chen, Yasuhisa Fujii, Hsuan-Tien Lin, Chen-Yu Lee, Tomas Pfister Si-An Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advancements in language models (LMs) have notably enhanced their ability to reason with tabular data, primarily through program-aided mechanisms that manipulate and analyze tables.However, these methods often require the entire table as input, leading to scalability challenges due to the positional bias or context length constraints.In response to these challenges, we introduce TableRAG, a Retrieval-Augmented Generation (RAG) framework specifically designed for LM-based table understanding.TableRAG leverages query expansion combined with schema and cell retrieval to pinpoint crucial information  before providing it to the LMs.This enables more efficient data encoding and precise retrieval, significantly reducing prompt lengths and mitigating information loss.We have developed two new million-token benchmarks from the Arcade and BIRD-SQL datasets to thoroughly evaluate TableRAG's effectiveness at scale.Our results demonstrate that TableRAG's retrieval design achieves the highest retrieval quality, leading to the new state-of-the-art performance on large-scale table understanding.
XMask3D: Cross-modal Mask Reasoning for Open Vocabulary 3D Semantic Segmentation
Authors: Yanbo Wang, Xumin Yu, Jie Zhou, Jiwen Lu Ziyi Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Existing methodologies in open vocabulary 3D semantic segmentation primarily concentrate on establishing a unified feature space encompassing 3D, 2D, and textual modalities. Nevertheless, traditional techniques such as global feature alignment or vision-language model distillation tend to impose only approximate correspondence, struggling notably with delineating fine-grained segmentation boundaries. To address this gap, we propose a more meticulous mask-level alignment between 3D features and the 2D-text embedding space through a cross-modal mask reasoning framework, XMask3D. In our approach, we developed a mask generator based on the denoising UNet from a pre-trained diffusion model, leveraging its capability for precise textual control over dense pixel representations and enhancing the open-world adaptability of the generated masks. We further integrate 3D global features as implicit conditions into the pre-trained 2D denoising UNet, enabling the generation of segmentation masks with additional 3D geometry awareness. Subsequently, the generated 2D masks are employed to align mask-level 3D representations with the vision-language feature space, thereby augmenting the open vocabulary capability of 3D geometry embeddings. Finally, we fuse complementary 2D and 3D mask features, resulting in competitive performance across multiple benchmarks for 3D open vocabulary semantic segmentation. Code is available at https://github.com/wangzy22/XMask3D.
Towards Global Optimal Visual In-Context Learning Prompt Selection
Authors: Chen Liu, Yikai Wang, Yuan Yao, Yanwei Fu Chengming Xu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Visual In-Context Learning (VICL) is a prevailing way to transfer visual foundation models to new tasks by leveraging contextual information contained in in-context examples to enhance learning and prediction of query sample. The fundamental problem in VICL is how to select the best prompt to activate its power as much as possible, which is equivalent to the ranking problem to test the in-context behavior of each candidate in the alternative set and select the best one. To utilize more appropriate ranking metric and leverage more comprehensive information among the alternative set, we propose a novel in-context example selection framework to approximately identify the global optimal prompt, i.e. choosing the best performing in-context examples from all alternatives for each query sample. Our method, dubbed Partial2Global, adopts a transformer-based list-wise ranker to provide a more comprehensive comparison within several alternatives, and a consistency-aware ranking aggregator to generate globally consistent ranking. The effectiveness of Partial2Global is validated through experiments on foreground segmentation, single object detection and image colorization, demonstrating that Partial2Global selects consistently better in-context examples compared with other methods, and thus establish the new state-of-the-arts.
NeoRL: Efficient Exploration for Nonepisodic RL
Authors: Lenart Treven, Florian Dörfler, Stelian Coros, Andreas Krause Bhavya Sukhija
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the problem of nonepisodic reinforcement learning (RL) for nonlinear dynamical systems, where the system dynamics are unknown and the RL agent has to learn from a single trajectory, i.e., without resets. We propose **N**on**e**pisodic **O**ptistmic **RL** (NeoRL), an approach based on the principle of optimism in the face of uncertainty. NeoRL uses well-calibrated probabilistic models and plans optimistically w.r.t. the epistemic uncertainty about the unknown dynamics. Under continuity and bounded energy assumptions on the system, weprovide a first-of-its-kind regret bound of  $\mathcal{O}(\beta_T \sqrt{T \Gamma_T})$ for general nonlinear systems with Gaussian process dynamics. We compare NeoRL to other baselines on several deep RL environments and empirically demonstrate that NeoRL achieves the optimal average cost while incurring the least regret.
DiReCT: Diagnostic Reasoning for Clinical Notes via Large Language Models
Authors: Jiuyang Chang, Yiming Qian, Guoxin Chen, Junhao Chen, Zhouqiang Jiang, Jiahao Zhang, Yuta Nakashima, Hajime Nagahara Bowen Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Large language models (LLMs) have recently showcased remarkable capabilities, spanning a wide range of tasks and applications, including those in the medical domain. Models like GPT-4 excel in medical question answering but may face challenges in the lack of interpretability when handling complex tasks in real clinical settings. We thus introduce the diagnostic reasoning dataset for clinical notes (DiReCT), aiming at evaluating the reasoning ability and interpretability of LLMs compared to human doctors. It contains 511 clinical notes, each meticulously annotated by physicians, detailing the diagnostic reasoning process from observations in a clinical note to the final diagnosis. Additionally, a diagnostic knowledge graph is provided to offer essential knowledge for reasoning, which may not be covered in the training data of existing LLMs. Evaluations of leading LLMs on DiReCT bring out a significant gap between their reasoning ability and that of human doctors, highlighting the critical need for models that can reason effectively in real-world clinical scenarios.
Transformers Represent Belief State Geometry in their Residual Stream
Authors: Sarah E. Marzen, Lucas Teixeira, Alexander Gietelink Oldenziel, Paul M. Riechers Adam S. Shai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: What computational structure are we building into large language models when we train them on next-token prediction? Here, we present evidence that this structure is given by the meta-dynamics of belief updating over hidden states of the data- generating process. Leveraging the theory of optimal prediction, we anticipate and then find that belief states are linearly represented in the residual stream of transformers, even in cases where the predicted belief state geometry has highly nontrivial fractal structure. We investigate cases where the belief state geometry is represented in the final residual stream or distributed across the residual streams of multiple layers, providing a framework to explain these observations. Furthermore we demonstrate that the inferred belief states contain information about the entire future, beyond the local next-token prediction that the transformers are explicitly trained on. Our work provides a general framework connecting the structure of training data to the geometric structure of activations inside transformers.
GIC: Gaussian-Informed Continuum for Physical Property Identification and Simulation
Authors: Yuji Yang, Weihao Yuan, Yisheng He, Zilong Dong, Liefeng Bo, Hui Cheng, Qifeng Chen Junhao Cai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper studies the problem of estimating physical properties (system identification) through visual observations. To facilitate geometry-aware guidance in physical property estimation, we introduce a novel hybrid framework that leverages 3D Gaussian representation to not only capture explicit shapes but also enable the simulated continuum to render object masks as 2D shape surrogates during training. We propose a new dynamic 3D Gaussian framework based on motion factorization to recover the object as 3D Gaussian point sets across different time states. Furthermore, we develop a coarse-to-fine filling strategy to generate the density fields of the object from the Gaussian reconstruction, allowing for the extraction of object continuums along with their surfaces and the integration of Gaussian attributes into these continuum. In addition to the extracted object surfaces, the Gaussian-informed continuum also enables the rendering of object masks during simulations, serving as 2D-shape guidance for physical property estimation. Extensive experimental evaluations demonstrate that our pipeline achieves state-of-the-art performance across multiple benchmarks and metrics. Additionally, we illustrate the effectiveness of the proposed method through real-world demonstrations, showcasing its practical utility. Our project page is at  https://jukgei.github.io/project/gic.
Spiking Neural Network as Adaptive Event Stream Slicer
Authors: Mingyuan Sun, Ziqing Wang, Hao Cheng, Qiang Zhang, Shibo Zhou, Renjing Xu Jiahang Cao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Event-based cameras are attracting significant interest as they provide rich edge information, high dynamic range, and high temporal resolution. Many state-of-the-art event-based algorithms rely on splitting the events into fixed groups, resulting in the omission of crucial temporal information, particularly when dealing with diverse motion scenarios (e.g., high/low speed). In this work, we propose SpikeSlicer, a novel-designed event processing framework capable of splitting events stream adaptively. SpikeSlicer utilizes a low-energy spiking neural network (SNN) to trigger event slicing. To guide the SNN to fire spikes at optimal time steps, we propose the Spiking Position-aware Loss (SPA-Loss) to modulate the neuron's state. Additionally, we develop a Feedback-Update training strategy that refines the slicing decisions using feedback from the downstream artificial neural network (ANN). Extensive experiments demonstrate that our method yields significant performance improvements in event-based object tracking and recognition. Notably, SpikeSlicer provides a brand-new SNN-ANN cooperation paradigm, where the SNN acts as an efficient, low-energy data processor to assist the ANN in improving downstream performance, injecting new perspectives and potential avenues of exploration.
IntraMix: Intra-Class Mixup Generation for Accurate Labels and Neighbors
Authors: Hongzhi Wang, Xianglong Liu Shenghe Zheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Graph Neural Networks (GNNs) have shown great performance in various tasks, with the core idea of learning from data labels and aggregating messages within the neighborhood of nodes. However, the common challenges in graphs are twofold: insufficient accurate (high-quality) labels and limited neighbors for nodes, resulting in weak GNNs. Existing graph augmentation methods typically address only one of these challenges, often adding training costs or relying on oversimplified or knowledge-intensive strategies, limiting their generalization.To simultaneously address both challenges faced by graphs in a generalized way, we propose an elegant method called IntraMix. Considering the incompatibility of vanilla Mixup with the complex topology of graphs, IntraMix innovatively employs Mixup among inaccurate labeled data of the same class, generating high-quality labeled data at minimal cost. Additionally, it finds data with high confidence of being clustered into the same group as the generated data to serve as their neighbors, thereby enriching the neighborhoods of graphs. IntraMix efficiently tackles both issues faced by graphs and challenges the prior notion of the limited effectiveness of Mixup in node classification. IntraMix is a theoretically grounded plug-in-play method that can be readily applied to all GNNs. Extensive experiments demonstrate the effectiveness of IntraMix across various GNNs and datasets. Our code is available at:  https://github.com/Zhengsh123/IntraMix.
Director3D: Real-world Camera Trajectory and 3D Scene Generation from Text
Authors: Zhangyu Lai, Linning Xu, Yansong Qu, Liujuan Cao, Shengchuan Zhang, Bo Dai, Rongrong Ji Xinyang Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advancements in 3D generation have leveraged synthetic datasets with ground truth 3D assets and predefined camera trajectories. However, the potential of adopting real-world datasets, which can produce significantly more realistic 3D scenes, remains largely unexplored. In this work, we delve into the key challenge of the complex and scene-specific camera trajectories found in real-world captures. We introduce Director3D, a robust open-world text-to-3D generation framework, designed to generate both real-world 3D scenes and adaptive camera trajectories. To achieve this, (1) we first utilize a Trajectory Diffusion Transformer, acting as the \emph{Cinematographer}, to model the distribution of camera trajectories based on textual descriptions. Next, a Gaussian-driven Multi-view Latent Diffusion Model serves as the \emph{Decorator}, modeling the image sequence distribution given the camera trajectories and texts. This model, fine-tuned from a 2D diffusion model, directly generates pixel-aligned 3D Gaussians as an immediate 3D scene representation for consistent denoising. Lastly, the 3D Gaussians are further refined by a novel SDS++ loss as the \emph{Detailer}, which incorporates the prior of the 2D diffusion model. Extensive experiments demonstrate that Director3D outperforms existing methods, offering superior performance in real-world 3D generation.
Fast Rates for Bandit PAC Multiclass Classification
Authors: Alon Cohen, Tomer Koren, Yishay Mansour, Shay Moran Liad Erez
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study multiclass PAC learning with bandit feedback, where inputs are classified into one of $K$ possible labels and feedback is limited to whether or not the predicted labels are correct. Our main contribution is in designing a novel learning algorithm for the agnostic $(\varepsilon,\delta)$-PAC version of the problem, with sample complexity of $O\big( (\operatorname{poly}(K) + 1 / \varepsilon^2) \log (|\mathcal{H}| / \delta) \big)$ for any finite hypothesis class $\mathcal{H}$. In terms of the leading dependence on $\varepsilon$, this improves upon existing bounds for the problem, that are of the form $O(K/\varepsilon^2)$. We also provide an extension of this result to general classes  and establish similar sample complexity bounds in which $\log |\mathcal{H}|$ is replaced by the Natarajan dimension.This matches the optimal rate in the full-information version of the problem and resolves an open question studied by Daniely, Sabato, Ben-David, and Shalev-Shwartz (2011) who demonstrated that the multiplicative price of bandit feedback in realizable PAC learning is $\Theta(K)$. We complement this by revealing a stark contrast with the agnostic case, where the price of bandit feedback is only $O(1)$ as $\varepsilon \to 0$. Our algorithm utilizes a stochastic optimization technique to minimize a log-barrier potential based on Frank-Wolfe updates for computing a low-variance exploration distribution over the hypotheses, and is made computationally efficient provided access to an ERM oracle over $\mathcal{H}$.
Prune and Repaint: Content-Aware Image Retargeting for any Ratio
Authors: Chao Li, Yifeng Geng, Yongjian Deng, Hao Chen Feihong Shen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Image retargeting is the task of adjusting the aspect ratio of images to suit different display devices or presentation environments. However, existing retargeting methods often struggle to balance the preservation of key semantics and image quality, resulting in either deformation or loss of important objects, or the introduction of local artifacts such as discontinuous pixels and inconsistent regenerated content. To address these issues, we propose a content-aware retargeting method called PruneRepaint. It incorporates semantic importance for each pixel to guide the identification of regions that need to be pruned or preserved in order to maintain key semantics. Additionally, we introduce an adaptive repainting module that selects image regions for repainting based on the distribution of pruned pixels and the proportion between foreground size and target aspect ratio, thus achieving local smoothness after pruning. By focusing on the content and structure of the foreground, our PruneRepaint approach adaptively avoids key content loss and deformation, while effectively mitigating artifacts with local repainting. We conduct experiments on the public RetargetMe benchmark and demonstrate through objective experimental results and subjective user studies that our method outperforms previous approaches in terms of preserving semantics and aesthetics, as well as better generalization across diverse aspect ratios. Codes will be available at https://github.com/fhshen2022/PruneRepaint.
BricksRL: A Platform for Democratizing Robotics and  Reinforcement Learning Research and Education with LEGO
Authors: Vincent Moens, Gianni De Fabritiis Sebastian Dittert
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present BricksRL, a platform designed to democratize access to robotics for reinforcement learning research and education. BricksRL facilitates the creation, design, and training of custom LEGO robots in the real world by interfacing them with the TorchRL library for reinforcement learning agents. The integration of TorchRL with the LEGO hubs, via Bluetooth bidirectional communication, enables state-of-the-art reinforcement learning training on GPUs for a wide variety of LEGO builds. This offers a flexible and cost-efficient approach for scaling and also provides a robust infrastructure for robot-environment-algorithm communication. We present various experiments across tasks and robot configurations, providing built plans and training results. Furthermore, we demonstrate that inexpensive LEGO robots can be trained end-to-end in the real world to achieve simple tasks, with training times typically under 120 minutes on a normal laptop. Moreover, we show how users can extend the capabilities, exemplified by the successful integration of non-LEGO sensors. By enhancing accessibility to both robotics and reinforcement learning, BricksRL establishes a strong foundation for democratized robotic learning in research and educational settings.
On scalable oversight with weak LLMs judging strong LLMs
Authors: Noah Y. Siegel, János Kramár, Jonah Brown-Cohen, Samuel Albanie, Jannis Bulian, Rishabh Agarwal, David Lindner, Yunhao Tang, Noah D. Goodman, Rohin Shah Zachary Kenton
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Scalable oversight protocols aim to enable humans to accurately supervise superhuman AI. In this paper we study debate, where two AI's compete to convince a judge; consultancy, where a single AI tries to convince a judge that asks questions;and compare to a baseline of direct question-answering, where the judge just answers outright without the AI.We use large language models (LLMs) as both AI agents and as stand-ins for human judges, taking the judge models to be weaker than agent models. We benchmark on a diverse range of asymmetries between judges and agents, extending previous work on a single extractive QA task with information asymmetry, to also include mathematics, coding, logic and multimodal reasoning asymmetries. We find that debate outperforms consultancy across all tasks when the consultant is randomly assigned to argue for the correct/incorrect answer. Comparing debate to direct question answering, the results depend on the type of task: in extractive QA tasks with information asymmetry debate outperforms direct question answering, but in other tasks without information asymmetry the results are mixed.Previous work assigned debaters/consultants an answer to argue for. When we allow them to instead choose which answer to argue for, we find judges are less frequently convinced by the wrong answer in debate than in consultancy.Further, we find that stronger debater models increase judge accuracy, though more modestly than in previous studies.
Exploration by Learning Diverse Skills through Successor State Representations
Authors: Yann Besse, Florent Teichteil-Konigsbuch, Dennis G. Wilson, Emmanuel Rachelson Paul-Antoine Le Tolguenec
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The ability to perform different skills can encourage agents to explore. In this work, we aim to construct a set of diverse skills that uniformly cover the state space. We propose a formalization of this search for diverse skills, building on a previous definition based on the mutual information between states and skills. We consider the distribution of states reached by a policy conditioned on each skill and leverage the successor state representation to maximize the difference between these skill distributions. We call this approach LEADS: Learning Diverse Skills through Successor State Representations. We demonstrate our approach on a set of maze navigation and robotic control tasks which show that our method is capable of constructing a diverse set of skills which exhaustively cover the state space without relying on reward or exploration bonuses. Our findings demonstrate that this new formalization promotes more robust and efficient exploration by combining mutual information maximization and exploration bonuses.
DePLM: Denoising Protein Language Models for Property Optimization
Authors: Keyan Ding, Ming Qin, Xiaotong Li, Xiang Zhuang, Yu Zhao, Jianhua Yao, Qiang Zhang, Huajun Chen Zeyuan Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Protein optimization is a fundamental biological task aimed at enhancing theperformance of proteins by modifying their sequences. Computational methodsprimarily rely on evolutionary information (EI) encoded by protein languagemodels (PLMs) to predict fitness landscape for optimization. However, thesemethods suffer from a few limitations. (1) Evolutionary processes involve thesimultaneous consideration of multiple functional properties, often overshadowingthe specific property of interest. (2) Measurements of these properties tend to betailored to experimental conditions, leading to reduced generalizability of trainedmodels to novel proteins. To address these limitations, we introduce DenoisingProtein Language Models (DePLM), a novel approach that refines the evolutionaryinformation embodied in PLMs for improved protein optimization. Specifically, weconceptualize EI as comprising both property-relevant and irrelevant information,with the latter acting as “noise” for the optimization task at hand. Our approachinvolves denoising this EI in PLMs through a diffusion process conducted in therank space of property values, thereby enhancing model generalization and ensuringdataset-agnostic learning. Extensive experimental results have demonstrated thatDePLM not only surpasses the state-of-the-art in mutation effect prediction butalso exhibits strong generalization capabilities for novel proteins.
MambaTree: Tree Topology is All You Need in State Space Model
Authors: Lin Song, Shaoli Huang, Jiangshan Wang, Siyu Song, Yixiao Ge, Xiu Li, Ying Shan Yicheng Xiao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The state space models, employing recursively propagated features, demonstrate strong representation capabilities comparable to Transformer models and superior efficiency.However, constrained by the inherent geometric constraints of sequences, it still falls short in modeling long-range dependencies.To address this issue, we propose the MambaTree network, which first dynamically generates a tree topology based on spatial relationships and input features.Then, feature propagation is performed based on this graph, thereby breaking the original sequence constraints to achieve stronger representation capabilities.Additionally, we introduce a linear complexity dynamic programming algorithm to enhance long-range interactions without increasing computational cost.MambaTree is a versatile multimodal framework that can be applied to both visual and textual tasks.Extensive experiments demonstrate that our method significantly outperforms existing structured state space models on image classification, object detection and segmentation.Besides, by fine-tuning large language models, our approach achieves consistent improvements in multiple textual tasks at minor training cost.
Structural Inference of Dynamical Systems with Conjoined State Space Models
Authors: Jun Pang Aoran Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper introduces SICSM, a novel structural inference framework that integrates Selective State Space Models (selective SSMs) with Generative Flow Networks (GFNs) to handle the challenges posed by dynamical systems with irregularly sampled trajectories and partial observations. By utilizing the robust temporal modeling capabilities of selective SSMs, our approach learns input-dependent transition functions that adapt to non-uniform time intervals, thereby enhancing the accuracy of structural inference. By aggregating dynamics across diverse temporal dependencies and channeling them into the GFN, the SICSM adeptly approximates the posterior distribution of the system's structure. This process not only enables precise inference of complex interactions within partially observed systems but also ensures the seamless integration of prior knowledge, enhancing the model’s accuracy and robustness.Extensive evaluations on sixteen diverse datasets demonstrate that SICSM outperforms existing methods, particularly in scenarios characterized by irregular sampling and incomplete observations, which highlight its potential as a reliable tool for scientific discovery and system diagnostics in disciplines that demand precise modeling of complex interactions.
Is A Picture Worth A Thousand Words? Delving Into Spatial Reasoning for Vision Language Models
Authors: Yifei Ming, Zhenmei Shi, Vibhav Vineet, Xin Wang, Yixuan Li, Neel Joshi Jiayu Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) and vision-language models (VLMs) have demonstrated remarkable performance across a wide range of tasks and domains. Despite this promise, spatial understanding and reasoning—a fundamental component of human cognition—remains under-explored. We propose SpatialEval, a novel benchmark that covers diverse aspects of spatial reasoning such as relationship understanding, navigation, and counting. We conduct a comprehensive evaluation of competitive language and vision-language models. Our findings reveal several counter-intuitive insights that have been overlooked in the literature: (1) Spatial reasoning poses significant challenges where competitive models can fall behind random guessing; (2) Despite additional visual input, VLMs often under-perform compared to their LLM counterparts; (3) When both textual and visual information is available, multi-modal language models become less reliant on visual information if sufficient textual clues are provided. Additionally, we demonstrate that leveraging redundancy between vision and text can significantly enhance model performance. We hope our study will inform the development of multimodal models to improve spatial intelligence and further close the gap with human intelligence. Our code is available at https://github.com/jiayuww/SpatialEval.