mtybilly/Instruct2DS huggingface dataset:
Differentially Private Stochastic Gradient Descent with Fixed-Size Minibatches: Tighter RDP Guarantees with or without Replacement
Authors: Reza Ebrahimi, Rouzbeh Behnia, Jason Pacheco Jeremiah Birrell
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Differentially private stochastic gradient descent (DP-SGD) has been instrumental in privately training deep learning models by providing a framework to control and track the privacy loss incurred during training.  At the core of this computation lies a subsampling method that uses a privacy amplification lemma to enhance the privacy guarantees provided by the additive noise. Fixed size subsampling is appealing for its constant memory usage, unlike the variable sized minibatches in Poisson subsampling. It is also of interest in addressing class imbalance and federated learning. Current computable guarantees for fixed-size subsampling are not tight and do not consider both add/remove and replace-one adjacency relationships. We present a new and holistic Rényi differential privacy (RDP)  accountant for DP-SGD with fixed-size subsampling without replacement (FSwoR) and with replacement (FSwR). For FSwoR we consider both add/remove and replace-one adjacency, where we improve on the best current computable bound by a factor of $4$. We also show for the first time that the widely-used Poisson subsampling and FSwoR with replace-one adjacency have the same privacy to leading order in the sampling probability. Our work suggests that FSwoR is often preferable to Poisson subsampling due to constant memory usage. Our FSwR accountant includes explicit non-asymptotic upper and lower bounds and, to the  authors' knowledge, is the first such RDP analysis of fixed-size  subsampling with replacement  for DP-SGD. We analytically and empirically compare fixed size and Poisson subsampling, and show that DP-SGD gradients in a fixed-size subsampling regime exhibit lower variance in practice in addition to memory usage benefits.
A Simple and Optimal Approach for Universal Online Learning with Gradient Variations
Authors: Peng Zhao, Zhi-Hua Zhou Yu-Hu Yan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We investigate the problem of universal online learning with gradient-variation regret. Universal online learning aims to achieve regret guarantees without prior knowledge of the curvature of the online functions. Moreover, we study the problem-dependent gradient-variation regret as it plays a crucial role in bridging stochastic and adversarial optimization as well as game theory. In this work, we design a universal approach with the *optimal* gradient-variation regret simultaneously for strongly convex, exp-concave, and convex functions, thus addressing an open problem highlighted by [Yan et al. [2023]](https://openreview.net/forum?id=AA1xrgAP5z). Our approach is *simple* since it is algorithmically efficient-to-implement with a two-layer online ensemble structure and only $1$ gradient query per round, and theoretically easy-to-analyze with a novel and alternative analysis to the gradient-variation regret. Concretely, previous works on gradient variations require controlling the algorithmic stability, which is challenging and leads to sub-optimal regret and less efficient algorithm design. Our analysis overcomes this issue by using a Bregman divergence negative term from linearization and a useful smoothness property.
LESS: Label-Efficient and Single-Stage Referring 3D Segmentation
Authors: Xiaoxu Xu, Jinlong Li, Qiudan Zhang, Xu Wang, Nicu Sebe, Lin Ma Xuexun Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Referring 3D Segmentation is a visual-language task that segments all points of the specified object from a 3D point cloud described by a sentence of query. Previous works perform a two-stage paradigm, first conducting language-agnostic instance segmentation then matching with given text query. However, the semantic concepts from text query and visual cues are separately interacted during the training, and both instance and semantic labels for each object are required, which is time consuming and human-labor intensive. To mitigate these issues, we propose a novel Referring 3D Segmentation pipeline, Label-Efficient and Single-Stage, dubbed LESS, which is only under the supervision of efficient binary mask. Specifically, we design a Point-Word Cross-Modal Alignment module for aligning the fine-grained features of points and textual embedding. Query Mask Predictor module and Query-Sentence Alignment module are introduced for coarse-grained alignment between masks and query. Furthermore, we propose an area regularization loss, which coarsely reduces irrelevant background predictions on a large scale. Besides, a point-to-point contrastive loss is proposed concentrating on distinguishing points with subtly similar features. Through extensive experiments, we achieve state-of-the-art performance on ScanRefer dataset by surpassing the previous methods about 3.7% mIoU using only binary labels. Code is available at https://github.com/mellody11/LESS.
Optimal Algorithms for Augmented Testing of Discrete Distributions
Authors: Piotr Indyk, Ronitt Rubinfeld, Sandeep Silwal Maryam Aliakbarpour
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider the problem of hypothesis testing for discrete distributions. In the standard model, where we have sample access to an underlying distribution $p$, extensive research has established optimal bounds for uniformity testing,  identity testing (goodness of fit), and closeness testing (equivalence or two-sample testing). We explore these problems in a setting where a predicted data distribution, possibly derived from historical data or predictive machine learning models, is available. We demonstrate that such a predictor can indeed reduce the number of samples required for all three property testing tasks. The reduction in sample complexity depends directly on the predictor’s quality, measured by its total variation distance from $p$. A key advantage of our algorithms is their adaptability to the precision of the prediction. Specifically, our algorithms can self-adjust their sample complexity based on the accuracy of the available prediction, operating without any prior knowledge of the estimation’s accuracy (i.e. they are consistent). Additionally, we never use more samples than the standard approaches require, even if the predictions provide no meaningful information (i.e. they are also robust). We provide lower bounds to indicate that the improvements in sample complexity achieved by our algorithms are information-theoretically optimal. Furthermore, experimental results show that the performance of our algorithms on real data significantly exceeds our worst-case guarantees for sample complexity, demonstrating the practicality of our approach.
Personalized Instance-based Navigation Toward User-Specific Objects in Realistic Environments
Authors: Roberto Bigazzi, Marcella Cornia, Lorenzo Baraldi, Rita Cucchiara Luca Barsellotti
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: In the last years, the research interest in visual navigation towards objects in indoor environments has grown significantly. This growth can be attributed to the recent availability of large navigation datasets in photo-realistic simulated environments, like Gibson and Matterport3D. However, the navigation tasks supported by these datasets are often restricted to the objects present in the environment at acquisition time. Also, they fail to account for the realistic scenario in which the target object is a user-specific instance that can be easily confused with similar objects and may be found in multiple locations within the environment. To address these limitations, we propose a new task denominated Personalized Instance-based Navigation (PIN), in which an embodied agent is tasked with locating and reaching a specific personal object by distinguishing it among multiple instances of the same category. The task is accompanied by PInNED, a dedicated new dataset composed of photo-realistic scenes augmented with additional 3D objects. In each episode, the target object is presented to the agent using two modalities: a set of visual reference images on a neutral background and manually annotated textual descriptions. Through comprehensive evaluations and analyses, we showcase the challenges of the PIN task as well as the performance and shortcomings of currently available methods designed for object-driven navigation, considering modular and end-to-end agents.
Mind the Gap Between Prototypes and Images in Cross-domain Finetuning
Authors: Feng Liu, Zhanke Zhou, Tongliang Liu, Chengqi Zhang, Bo Han Hongduan Tian
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In cross-domain few-shot classification (CFC), recent works mainly focus on adapting a simple transformation head on top of a frozen pre-trained backbone with few labeled data to project embeddings into a task-specific metric space where classification can be performed by measuring similarities between image instance and prototype representations. Technically, an assumption implicitly adopted in such a framework is that the prototype and image instance embeddings share the same representation transformation. However, in this paper, we find that there naturally exists a gap, which resembles the modality gap, between the prototype and image instance embeddings extracted from the frozen pre-trained backbone, and simply applying the same transformation during the adaptation phase constrains exploring the optimal representation distributions and shrinks the gap between prototype and image representations. To solve this problem, we propose a simple yet effective method, contrastive prototype-image adaptation (CoPA), to adapt different transformations for prototypes and images similarly to CLIP by treating prototypes as text prompts.   Extensive experiments on Meta-Dataset demonstrate that CoPA achieves the state-of-the-art performance more efficiently. Meanwhile, further analyses also indicate that CoPA can learn better representation clusters, enlarge the gap, and achieve the minimum validation loss at the enlarged gap.
Robust Reinforcement Learning with General Utility
Authors: Yan Wen, Zhengmian Hu, Heng Huang Ziyi Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reinforcement Learning (RL) problem with general utility is a powerful decision making framework that covers standard RL with cumulative cost, exploration problems, and demonstration learning. Existing works on RL with general utility do not consider the robustness under environmental perturbation, which is important to adapt RL system in the real-world environment that differs from the training environment. To train a robust policy, we propose a robust RL framework with general utility,  which subsumes many existing RL frameworks including RL, robust RL, RL with general utility, constrained RL, robust constrained RL, pure exploration, robust entropy regularized RL, etc. Then we focus on popular convex utility functions, with which our proposed learning framework is a challenging nonconvex-nonconcave minimax optimization problem, and design a two-phase stochastic policy gradient type algorithm and obtain its sample complexity result for gradient convergence. Furthermore, for convex utility on a widely used polyhedral ambiguity set, we design an algorithm and obtain its convergence rate to a global optimal solution.
Addressing Bias in Online Selection with Limited Budget of Comparisons
Authors: Evgenii Chzhen, Nicolas Schreuder, Vianney Perchet Ziyad Benomar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Consider a hiring process with candidates coming from different universities. It is easy to order candidates with the same background, yet it can be challenging to compare them otherwise. The latter case requires additional costly assessments, leading to a potentially high total cost for the hiring organization. Given an assigned budget, what would be an optimal strategy to select the most qualified candidate?We model the above problem as a multicolor secretary problem, allowing comparisons between candidates from distinct groups at a fixed cost. Our study explores how the allocated budget enhances the success probability of online selection algorithms.
MonoMAE: Enhancing Monocular 3D Detection through Depth-Aware Masked Autoencoders
Authors: Sheng Jin, Xiaoqin Zhang, Ling Shao, Shijian Lu Xueying Jiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Monocular 3D object detection aims for precise 3D localization and identification of objects from a single-view image. Despite its recent progress, it often struggles while handling pervasive object occlusions that tend to complicate and degrade the prediction of object dimensions, depths, and orientations. We design MonoMAE, a monocular 3D detector inspired by Masked Autoencoders that addresses the object occlusion issue by masking and reconstructing objects in the feature space. MonoMAE consists of two novel designs. The first is depth-aware masking that selectively masks certain parts of non-occluded object queries in the feature space for simulating occluded object queries for network training. It masks non-occluded object queries by balancing the masked and preserved query portions adaptively according to the depth information. The second is lightweight query completion that works with the depth-aware masking to learn to reconstruct and complete the masked object queries. With the proposed feature-space occlusion and completion, MonoMAE learns enriched 3D representations that achieve superior monocular 3D detection performance qualitatively and quantitatively for both occluded and non-occluded objects. Additionally, MonoMAE learns generalizable representations that can work well in new domains.
Measuring Goal-Directedness
Authors: James Fox, Francesco Belardinelli, Tom Everitt Matt MacDermott
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We define maximum entropy goal-directedness (MEG), a formal measure of goal-directedness in causal models and Markov decision processes, and give algorithmsfor computing it. Measuring goal-directedness is important, as it is a criticalelement of many concerns about harm from AI. It is also of philosophical interest,as goal-directedness is a key aspect of agency. MEG is based on an adaptation ofthe maximum causal entropy framework used in inverse reinforcement learning. Itcan measure goal-directedness with respect to a known utility function, a hypothesisclass of utility functions, or a set of random variables. We prove that MEG satisfiesseveral desiderata and demonstrate our algorithms with small-scale experiments.
Long-Range Feedback Spiking Network Captures Dynamic and Static Representations of the Visual Cortex under Movie Stimuli
Authors: Zhengyu Ma, Liutao Yu, Huihui Zhou, Yonghong Tian Liwei Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep neural networks (DNNs) are widely used models for investigating biological visual representations. However, existing DNNs are mostly designed to analyze neural responses to static images, relying on feedforward structures and lacking physiological neuronal mechanisms. There is limited insight into how the visual cortex represents natural movie stimuli that contain context-rich information. To address these problems, this work proposes the long-range feedback spiking network (LoRaFB-SNet), which mimics top-down connections between cortical regions and incorporates spike information processing mechanisms inherent to biological neurons. Taking into account the temporal dependence of representations under movie stimuli, we present Time-Series Representational Similarity Analysis (TSRSA) to measure the similarity between model representations and visual cortical representations of mice. LoRaFB-SNet exhibits the highest level of representational similarity, outperforming other well-known and leading alternatives across various experimental paradigms, especially when representing long movie stimuli. We further conduct experiments to quantify how temporal structures (dynamic information) and static textures (static information) of the movie stimuli influence representational similarity, suggesting that our model benefits from long-range feedback to encode context-dependent representations just like the brain. Altogether, LoRaFB-SNet is highly competent in capturing both dynamic and static representations of the mouse visual cortex and contributes to the understanding of movie processing mechanisms of the visual system. Our codes are available at https://github.com/Grasshlw/SNN-Neural-Similarity-Movie.
Typicalness-Aware Learning for Failure Detection
Authors: Jiequan Cui, Zhuotao Tian, Senqiao Yang, Qingdong He, Xiaoling Wang, Jingyong Su Yijun Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep neural networks (DNNs) often suffer from the overconfidence issue, where incorrect predictions are made with high confidence scores, hindering the applications in critical systems. In this paper, we propose a novel approach called Typicalness-Aware Learning (TAL) to address this issue and improve failure detection performance. We observe that, with the cross-entropy loss, model predictions are optimized to align with the corresponding labels via increasing logit magnitude or refining logit direction. However, regarding atypical samples, the image content and their labels may exhibit disparities. This discrepancy can lead to overfitting on atypical samples, ultimately resulting in the overconfidence issue that we aim to address.To address this issue, we have devised a metric that quantifies the typicalness of each sample, enabling the dynamic adjustment of the logit magnitude during the training process. By allowing relatively atypical samples to be adequately fitted while preserving reliable logit direction, the problem of overconfidence can be mitigated. TAL has been extensively evaluated on benchmark datasets, and the results demonstrate its superiority over existing failure detection methods. Specifically, TAL achieves a more than 5\% improvement on CIFAR100 in terms of the Area Under the Risk-Coverage Curve (AURC) compared to the state-of-the-art. Code is available at https://github.com/liuyijungoon/TAL.
CVQA: Culturally-diverse Multilingual Visual Question Answering Benchmark
Authors: Chenyang Lyu, Haryo Akbarianto Wibowo, Teresa Lynn, Injy Hamed, Aditya Nanda Kishore, Aishik Mandal, Alina Dragonetti, Artem Abzaliev, Atnafu Lambebo Tonja, Bontu Fufa Balcha, Chenxi Whitehouse, Christian Salamea, Dan John Velasco, David Ifeoluwa Adelani, David Le Meur, Emilio Villa-Cueva, Fajri Koto, Fauzan Farooqui, Frederico Belcavello, Ganzorig Batnasan, Gisela Vallejo, Grainne Caulfield, Guido Ivetta, Haiyue Song, Henok Biadglign Ademtew, Hernán Maina, Holy Lovenia, Israel Abebe Azime, Jan Christian Blaise Cruz, Jay Gala, Jiahui Geng, Jesus-German Ortiz-Barajas, Jinheon Baek, Jocelyn Dunstan, Laura Alonso Alemany, Kumaranage Ravindu Yasas Nagasinghe, Luciana Benotti, Luis Fernando D'Haro, Marcelo Viridiano, Marcos Estecha-Garitagoitia, Maria Camila Buitrago Cabrera, Mario Rodríguez-Cantelar, Mélanie Jouitteau, Mihail Mihaylov, Naome Etori, Mohamed Fazli Mohamed Imam, Muhammad Farid Adilazuarda, Munkhjargal Gochoo, Munkh-Erdene Otgonbold, Olivier Niyomugisha, Paula Mónica Silva, Pranjal Chitale, Raj Dabre, Rendi Chevi, Ruochen Zhang, Ryandito Diandaru, Samuel Cahyawijaya, Santiago Góngora, Soyeong Jeong, Sukannya Purkayastha, Tatsuki Kuribayashi, Teresa Clifford, Thanmay Jayakumar, Tiago Timponi Torrent, Toqeer Ehsan, Vladimir Araujo, Yova Kementchedjhieva, Zara Burzo, Zheng Wei Lim, Zheng Xin Yong, Oana Ignat, Joan Nwatu, Rada Mihalcea, Thamar Solorio, Alham Fikri Aji David Romero
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Visual Question Answering~(VQA) is an important task in multimodal AI, which requires models to understand and reason on knowledge present in visual and textual data. However, most of the current VQA datasets and models are primarily focused on English and a few major world languages, with images that are Western-centric. While recent efforts have tried to increase the number of languages covered on VQA datasets, they still lack diversity in low-resource languages. More importantly, some datasets extend the text to other languages, either via translation or some other approaches, but usually keep the same images, resulting in narrow cultural representation. To address these limitations, we create CVQA, a new Culturally-diverse Multilingual Visual Question Answering benchmark dataset, designed to cover a rich set of languages and regions, where we engage native speakers and cultural experts in the data collection process. CVQA includes culturally-driven images and questions from across 28 countries in four continents, covering 26 languages with 11 scripts, providing a total of 9k questions. We benchmark several Multimodal Large Language Models (MLLMs) on CVQA, and we show that the dataset is challenging for the current state-of-the-art models. This benchmark will serve as a probing evaluation suite for assessing the cultural bias of multimodal models and hopefully encourage more research efforts towards increasing cultural awareness and linguistic diversity in this field.
EffiBench: Benchmarking the Efficiency of Automatically Generated Code
Authors: Yuhao Qing, Weiyi Shang, Heming Cui, Jie M. Zhang Dong Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Code generation models have increasingly become integral to aiding software development. Although current research has thoroughly examined the correctness of the code produced by code generation models, a vital aspect that plays a pivotal role in greencomputing and sustainability efforts — the efficiency of the generated code — has often been neglected. This paper presents Effibench, a benchmark with 1,000 efficiency-critical coding problems to assess the efficiency of code generated by code generation models. EffiBench contains a diverse set of LeetCode coding problems. Each problem is paired with an executable human-written canonical solution, which obtains the SOTA efficiency on the LeetCode solution leaderboard. With EffiBench, we empirically examine the ability of 42 large language models (35 open-source and 7 closed-source) to generate efficient code. Our evaluation results demonstrate that the efficiency of the code generated by LLMs is generally worse than the efficiency of human-written canonical solutions. For example, GPT-4 generated code has an average \textbf{3.12} times execution time that of the human-written canonical solutions. In the most extreme cases, the execution time and total memory usage of GPT-4 code are \textbf{13.89} and \textbf{43.92} times that of the canonical solutions. The source code of EffiBench is released on https://github.com/huangd1999/EffiBench. We also provide the LeaderBoard in https://huggingface.co/spaces/EffiBench/effibench-leaderboard.
PutnamBench: Evaluating Neural Theorem-Provers on the Putnam Mathematical Competition
Authors: Jasper Lee, John Jennings, Jimmy Xin, Michelle Ding, Michael Jennings, Amitayush Thakur, Swarat Chaudhuri George Tsoukalas
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: We present PutnamBench, a new multi-language benchmark for evaluating the ability of neural theorem-provers to solve competition mathematics problems. PutnamBench consists of 1692 hand-constructed formalizations of 640 theorems sourced from the William Lowell Putnam Mathematical Competition, the premier undergraduate-level mathematics competition in North America. All the problems have formalizations in Lean 4 and Isabelle; a substantial subset also has Coq formalizations. PutnamBench requires significant problem-solving ability and proficiency in a broad range of topics taught in undergraduate mathematics courses. We use PutnamBench to evaluate several established neural and symbolic theorem-provers. These approaches can only solve a handful of the PutnamBench problems, establishing the benchmark as a difficult open challenge for research on neural theorem-proving. PutnamBench is available at https://github.com/trishullab/PutnamBench.
Episodic Future Thinking Mechanism for Multi-agent Reinforcement Learning
Authors: Minhae Kwon Dongsu Lee
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Understanding cognitive processes in multi-agent interactions is a primary goal in cognitive science. It can guide the direction of artificial intelligence (AI) research toward social decision-making in multi-agent systems, which includes uncertainty from character heterogeneity. In this paper, we introduce episodic future thinking (EFT) mechanism for a reinforcement learning (RL) agent, inspired by the cognitive processes observed in animals. To enable future thinking functionality, we first develop a multi-character policy that captures diverse characters with an ensemble of heterogeneous policies. The character of an agent is defined as a different weight combination on reward components, representing distinct behavioral preferences. The future thinking agent collects observation-action trajectories of the target agents and leverages the pre-trained multi-character policy to infer their characters. Once the character is inferred, the agent predicts the upcoming actions of target agents and simulates the potential future scenario. This capability allows the agent to adaptively select the optimal action, considering the predicted future scenario in multi-agent scenarios. To evaluate the proposed mechanism, we consider the multi-agent autonomous driving scenario in which autonomous vehicles with different driving traits are on the road. Simulation results demonstrate that the EFT mechanism with accurate character inference leads to a higher reward than existing multi-agent solutions. We also confirm that the effect of reward improvement remains valid across societies with different levels of character diversity.
Slot State Space Models
Authors: Fei Deng, Gautam Singh, Minseung Lee, Sungjin Ahn Jindong Jiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent State Space Models (SSMs) such as S4, S5, and Mamba have shown remarkable computational benefits in long-range temporal dependency modeling. However, in many sequence modeling problems, the underlying process is inherently modular and it is of interest to have inductive biases that mimic this modular structure. In this paper, we introduce SlotSSMs, a novel framework for incorporating independent mechanisms into SSMs to preserve or encourage separation of information. Unlike conventional SSMs that maintain a monolithic state vector, SlotSSMs maintains the state as a collection of multiple vectors called slots. Crucially, the state transitions are performed independently per slot with sparse interactions across slots implemented via the bottleneck of self-attention. In experiments, we evaluate our model in object-centric learning, 3D visual reasoning, and long-context video understanding tasks, which involve modeling multiple objects and their long-range temporal dependencies. We find that our proposed design offers substantial performance gains over existing sequence modeling methods. Project page is available at \url{https://slotssms.github.io/}
Incorporating Test-Time Optimization into Training with Dual Networks for Human Mesh Recovery
Authors: Mingxian Fan, Chengjiang Long, Qing Zhang, Jian Zhu, Xuemiao Xu Yongwei Nie
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Human Mesh Recovery (HMR) is the task of estimating a parameterized 3D human mesh from an image. There is a kind of methods first training a regression model for this problem, then further optimizing the pretrained regression model for any specific sample individually at test time. However, the pretrained model may not provide an ideal optimization starting point for the test-time optimization. Inspired by meta-learning, we incorporate the test-time optimization into training, performing a step of test-time optimization for each sample in the training batch before really conducting the training optimization over all the training samples. In this way, we obtain a meta-model, the meta-parameter of which is friendly to the test-time optimization. At test time, after several test-time optimization steps starting from the meta-parameter, we obtain much higher HMR accuracy than the test-time optimization starting from the simply pretrained regression model. Furthermore, we find test-time HMR objectives are different from training-time objectives, which reduces the effectiveness of the learning of the meta-model. To solve this problem, we propose a dual-network architecture that unifies the training-time and test-time objectives. Our method, armed with meta-learning and the dual networks, outperforms state-of-the-art regression-based and optimization-based HMR approaches, as validated by the extensive experiments. The codes are available at https://github.com/fmx789/Meta-HMR.
On the Identifiability of Poisson Branching Structural Causal Model Using Probability Generating Function
Authors: Jie Qiao, Zhefeng Liang, Zihuai Zeng, Ruichu Cai, Zhifeng Hao Yu Xiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Causal discovery from observational data, especially for count data, is essential across scientific and industrial contexts, such as biology, economics, and network operation maintenance. For this task, most approaches model count data using Bayesian networks or ordinal relations. However, they overlook the inherent branching structures that are frequently encountered, e.g., a browsing event might trigger an adding cart or purchasing event. This can be modeled by a binomial thinning operator (for branching) and an additive independent Poisson distribution (for noising), known as Poisson Branching Structure Causal Model (PB-SCM). There is a provably sound cumulant-based causal discovery method that allows the identification of the causal structure under a branching structure. However, we show that there still remains a gap in that there exist causal directions that are identifiable while the algorithm fails to identify them. In this work, we address this gap by exploring the identifiability of PB-SCM using the Probability Generating Function (PGF). By developing a compact and exact closed-form solution for the PGF of PB-SCM, we demonstrate that each component in this closed-form solution uniquely encodes a specific local structure, enabling the identification of the local structures by testing their corresponding component appearances in the PGF. Building on this, we propose a practical algorithm for learning causal skeletons and identifying causal directions of PB-SCM using PGF. The effectiveness of our method is demonstrated through experiments on both synthetic and real datasets.
AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction
Authors: Lilian Denzler, Yihong Chen, Andrew Martin, Brooks Paige Chu'nan Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Epitope identification is vital for antibody design yet challenging due to the inherent variability in antibodies. While many deep learning methods have been developed for general protein binding site prediction tasks, whether they work for epitope prediction remains an understudied research question. The challenge is also heightened by the lack of a consistent evaluation pipeline with sufficient dataset size and epitope diversity. We introduce a filtered antibody-antigen complex structure dataset, AsEP (Antibody-specific Epitope Prediction). AsEP is the largest of its kind and provides clustered epitope groups, allowing the community to develop and test novel epitope prediction methods and evaluate their generalisability. AsEP comes with an easy-to-use interface in Python and pre-built graph representations of each antibody-antigen complex while also supporting customizable embedding methods. Using this new dataset, we benchmark several representative general protein-binding site prediction methods and find that their performances fall short of expectations for epitope prediction. To address this, we propose a novel method, WALLE, which leverages both unstructured modeling from protein language models and structural modeling from graph neural networks. WALLE demonstrate up to 3-10X performance improvement over the baseline methods. Our empirical findings suggest that epitope prediction benefits from combining sequential features provided by language models with geometrical information from graph representations. This provides a guideline for future epitope prediction method design. In addition, we reformulate the task as bipartite link prediction, allowing convenient model performance attribution and interpretability. We open source our data and code at https://github.com/biochunan/AsEP-dataset.
Variational Flow Matching for Graph Generation
Authors: Grigory Bartosh, Christian A. Naesseth, Max Welling, Jan-Willem van de Meent Floor Eijkelboom
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). We use this formulation to develop CatFlow, a flow matching method for categorical data that is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. VFM admits both the original flow matching objective and the CatFlow objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.
A Gradient Accumulation Method for Dense Retriever under Memory Constraint
Authors: Yukyung Lee, Pilsung Kang Jaehee Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: InfoNCE loss is commonly used to train dense retriever in information retrieval tasks. It is well known that a large batch is essential to stable and effective training with InfoNCE loss, which requires significant hardware resources. Due to the dependency of large batch, dense retriever has bottleneck of application and research. Recently, memory reduction methods have been broadly adopted to resolve the hardware bottleneck by decomposing forward and backward or using a memory bank. However, current methods still suffer from slow and unstable train. To address these issues, we propose Contrastive Accumulation (ContAccum), a stable and efficient memory reduction method for dense retriever trains that uses a dual memory bank structure to leverage previously generated query and passage representations. Experiments on widely used five information retrieval datasets indicate that ContAccum can surpass not only existing memory reduction methods but also high-resource scenarios. Moreover, theoretical analysis and experimental results confirm that ContAccum provides more stable dual-encoder training than current memory bank utilization methods.
Road Network Representation Learning with the Third Law of  Geography
Authors: Weiming Huang, Yile Chen, Tiantian He, Gao Cong, Yew-Soon Ong Haicang Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Road network representation learning aims to learn compressed and effective vectorized representations for road segments that are applicable to numerous tasks. In this paper, we identify the limitations of existing methods, particularly their overemphasis on the distance effect as outlined in the First Law of Geography. In response,  we propose to endow road network representation with the principles of the recent Third Law of Geography. To this end, we propose a novel graph contrastive learning framework that employs geographic configuration-aware graph augmentation and spectral negative sampling, ensuring that road segments with similar geographic configurations yield similar representations, and vice versa, aligning with the principles stated in the Third Law. The framework further fuses the Third Law with the First Law through a dual contrastive learning objective to effectively balance the implications of both laws. We evaluate our framework on two real-world datasets across three downstream tasks. The results show that the integration of the Third Law significantly improves the performance of road segment representations in downstream tasks.
HyperPrism: An Adaptive Non-linear Aggregation Framework for Distributed Machine Learning over Non-IID Data and Time-varying Communication Links
Authors: Yijian Chen, Ryan Yang, Yuchen Li, Linghe Kong Haizhou Du
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While Distributed Machine Learning (DML) has been widely used to achieve decent performance, it is still challenging to take full advantage of data and devices distributed at multiple vantage points to adapt and learn, especially it is non-trivial to address dynamic and divergence challenges based on the linear aggregation framework as follows: (1) heterogeneous learning data at different devices (i.e., non-IID data) resulting in model divergence and (2) in the case of time-varying communication links, the limited ability for devices to reconcile model divergence. In this paper, we contribute a non-linear class aggregation framework HyperPrism that leverages distributed mirror descent with averaging done in the mirror descent dual space and adapts the degree of Weighted Power Mean (WPM) used in each round. Moreover, HyperPrism could adaptively choose different mapping for different layers of the local model with a dedicated hypernetwork per device, achieving automatic optimization of DML in high divergence settings. We perform rigorous analysis and experimental evaluations to demonstrate the effectiveness of adaptive, mirror-mapping DML. In particular, we extend the generalizability of existing related works and position them as special cases within HyperPrism. Our experimental results show that HyperPrism can improve the convergence speed up to 98.63% and scale well to more devices compared with the state-of-the-art, all with little additional computation overhead compared to traditional linear aggregation.
A Versatile Diffusion Transformer with Mixture of Noise Levels for Audiovisual Generation
Authors: Alonso Martinez, Yu-Chuan Su, Brendan Jou, José Lezama, Agrim Gupta, Lijun Yu, Lu Jiang, Aren Jansen, Jacob Walker, Krishna Somandepalli Gwanghyun Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Training diffusion models for audiovisual sequences allows for a range of generation tasks by learning conditional distributions of various input-output combinations of the two modalities. Nevertheless, this strategy often requires training a separate model for each task which is expensive. Here, we propose a novel training approach to effectively learn arbitrary conditional distributions in the audiovisual space. Our key contribution lies in how we parameterize the diffusion timestep in the forward diffusion process. Instead of the standard fixed diffusion timestep, we propose applying variable diffusion timesteps across the temporal dimension and across modalities of the inputs. This formulation offers flexibility to introduce variable noise levels for various portions of the input, hence the term mixture of noise levels. We propose a transformer-based audiovisual latent diffusion model and show that it can be trained in a task-agnostic fashion using our approach to enable a variety of audiovisual generation tasks at inference time. Experiments demonstrate the versatility of our method in tackling cross-modal and multimodal interpolation tasks in the audiovisual space. Notably, our proposed approach surpasses baselines in generating temporally and perceptually consistent samples conditioned on the input. Project page: neurips13025.github.io
GarmentLab: A Unified Simulation and Benchmark for Garment Manipulation
Authors: Ruihai Wu, Yitong Li, Sijie Li, Ziyu Zhu, Chuanruo Ning, Yan Shen, Longzan Luo, Yuanpei Chen, Hao Dong Haoran Lu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Manipulating garments and fabrics has long been a critical endeavor in the development of home-assistant robots. However, due to complex dynamics and topological structures, garment manipulations pose significant challenges. Recent successes in reinforcement learning and vision-based methods offer promising avenues for learning garment manipulation. Nevertheless, these approaches are severely constrained by current benchmarks, which exhibit offer limited diversity of tasks and unrealistic simulation behavior. Therefore, we present GarmentLab, a content-rich benchmark and realistic simulation designed for deformable object and garment manipulation. Our benchmark encompasses a diverse range of garment types, robotic systems and manipulators. The abundant tasks in the benchmark further explores of the interactions between garments, deformable objects, rigid bodies, fluids, and human body. Moreover, by incorporating multiple simulation methods such as FEM and PBD, along with our proposed sim-to-real algorithms and real-world benchmark, we aim to significantly narrow the sim-to-real gap. We evaluate state-of-the-art vision methods, reinforcement learning, and imitation learning approaches on these tasks, highlighting the challenges faced by current algorithms, notably their limited generalization capabilities. Our proposed open-source environments and comprehensive analysis show promising boost to future research in garment manipulation by unlocking the full potential of these methods. We guarantee that we will open-source our code as soon as possible. You can watch the videos in supplementary files to learn more about the details of our work.
Interpretable Generalized Additive Models for Datasets with Missing Values
Authors: Jon Donnelly, Margo Seltzer, Cynthia Rudin Hayden McTavish
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Many important datasets contain samples that are missing one or more feature values. Maintaining the interpretability of machine learning models in the presence of such missing data is challenging. Singly or multiply imputing missing values complicates the model’s mapping from features to labels. On the other hand, reasoning on indicator variables that represent missingness introduces a potentially large number of additional terms, sacrificing sparsity. We solve these problems with M-GAM, a sparse, generalized, additive modeling approach that incorporates missingness indicators and their interaction terms while maintaining sparsity through $\ell_0$ regularization. We show that M-GAM provides similar or superior accuracy to prior methods while significantly improving sparsity relative to either imputation or naïve inclusion of indicator variables.
Kangaroo: Lossless Self-Speculative Decoding for Accelerating LLMs via Double Early Exiting
Authors: Yehui Tang, Zhenhua Liu, Yunsheng Ni, Duyu Tang, Kai Han, Yunhe Wang Fangcheng Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Speculative decoding has demonstrated its effectiveness in accelerating the inference of large language models (LLMs) while maintaining an identical sampling distribution. However, the conventional approach of training separate draft model to achieve a satisfactory token acceptance rate can be costly and impractical. In this paper, we propose a novel self-speculative decoding framework \emph{Kangaroo} with \emph{double} early exiting strategy, which leverages the shallow sub-network and the \texttt{LM Head} of the well-trained target LLM to construct a self-drafting model. Then, the self-verification stage only requires computing the remaining layers over the \emph{early-exited} hidden states in parallel. To bridge the representation gap between the sub-network and the full model, we train a lightweight and efficient adapter module on top of the sub-network. One significant challenge that comes with the proposed method is that the inference latency of the self-draft model may no longer be negligible compared to the big model. To boost the token acceptance rate while minimizing the latency of the self-drafting model, we introduce an additional \emph{early exiting} mechanism for both single-sequence and the tree decoding scenarios. Specifically, we dynamically halt the small model's subsequent prediction during the drafting phase once the confidence level for the current step falls below a certain threshold. This approach reduces unnecessary computations and improves overall efficiency. Extensive experiments on multiple benchmarks demonstrate our effectiveness, where Kangaroo achieves walltime speedups up to 2.04$\times$, outperforming Medusa-1 with 88.7\% fewer additional parameters. The code for Kangaroo is available at https://github.com/Equationliu/Kangaroo.
Identifying Selections for Unsupervised Subtask Discovery
Authors: Yujia Zheng, Kun Zhang Yiwen Qiu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When solving long-horizon tasks, it is intriguing to decompose the high-level task into subtasks. Decomposing experiences into reusable subtasks can improve data efficiency, accelerate policy generalization, and in general provide promising solutions to multi-task reinforcement learning and imitation learning problems. However, the concept of subtasks is not sufficiently understood and modeled yet, and existing works often overlook the true structure of the data generation process: subtasks are the results of a selection mechanism on actions, rather than possible underlying confounders or intermediates. Specifically, we provide a theory to identify, and experiments to verify the existence of selection variables in such data. These selections serve as subgoals that indicate subtasks and guide policy. In light of this idea, we develop a sequential non-negative matrix factorization (seq- NMF) method to learn these subgoals and extract meaningful behavior patterns as subtasks. Our empirical results on a challenging Kitchen environment demonstrate that the learned subtasks effectively enhance the generalization to new tasks in multi-task imitation learning scenarios. The codes are provided at this link.