mtybilly/Instruct2DS huggingface dataset:
Structured Learning of Compositional Sequential Interventions
Authors: Jialin Yu, Andreas Koukorinis, Nicolò Colombo, Yuchen Zhu, Ricardo Silva
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider sequential treatment regimes where each unit is exposed to combinations of interventions over time. When interventions are described by qualitative labels, such as "close schools for a month due to a pandemic" or "promote this podcast to this user during this week", it is unclear which appropriate structural assumptions allow us to generalize behavioral predictions to previously unseen combinations of interventions. Standard black-box approaches mapping sequences of categorical variables to outputs are applicable, but they rely on poorly understood assumptions on how reliable generalization can be obtained, and may underperform under sparse sequences, temporal variability, and large action spaces. To approach that,  we pose an explicit model for composition, that is, how the effect of sequential interventions can be isolated into modules, clarifying which data conditions allow for the identification of their combined effect at different units and time steps. We show the identification properties of our compositional model, inspired by advances in causal matrix factorization methods. Our focus is on predictive models for novel compositions of interventions instead of matrix completion tasks and causal effect estimation. We compare our approach to flexible but generic black-box models to illustrate how structure aids prediction in sparse data conditions.
Last-Iterate Convergence for Generalized Frank-Wolfe in Monotone Variational Inequalities
Authors: Zaiwei Chen, Eric Mazumdar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the convergence behavior of a generalized Frank-Wolfe algorithm in constrained (stochastic) monotone variational inequality (MVI) problems. In recent years, there have been numerous efforts to design algorithms for solving constrained MVI problems due to their connections with optimization, machine learning, and equilibrium computation in games. Most work in this domain has focused on extensions of simultaneous gradient play, with particular emphasis on understanding the convergence properties of extragradient and optimistic gradient methods. In contrast, we examine the performance of an algorithm from another well-known class of optimization algorithms: Frank-Wolfe. We show that a generalized variant of this algorithm achieves a fast $\mathcal{O}(T^{-1/2})$ last-iterate convergence rate in constrained MVI problems. By drawing connections between our generalized Frank-Wolfe algorithm and the well-known smoothed fictitious play (FP) from game theory, we also derive a finite-sample convergence rate for smoothed FP in zero-sum matrix games. Furthermore, we demonstrate that a stochastic variant of the generalized Frank-Wolfe algorithm for MVI problems also converges in a last-iterate sense, albeit at a slower $\mathcal{O}(T^{-1/6})$ convergence rate.
Real-time Stereo-based 3D Object Detection for Streaming Perception
Authors: Changcai Li, Zonghua Gu, Gang Chen, Libo Huang, Wei Zhang, Huihui Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The ability to promptly respond to environmental changes is crucial for the perception system of autonomous driving. Recently, a new task called streaming perception was proposed. It jointly evaluate the latency and accuracy into a single metric for video online perception. In this work, we introduce StreamDSGN, the first real-time stereo-based 3D object detection framework designed for streaming perception. StreamDSGN is an end-to-end framework that directly predicts the 3D properties of objects in the next moment by leveraging historical information, thereby alleviating the accuracy degradation of streaming perception. Further, StreamDSGN applies three strategies to enhance the perception accuracy: (1) A feature-flow-based fusion method, which generates a pseudo-next feature at the current moment to address the misalignment issue between feature and ground truth. (2) An extra regression loss for explicit supervision of object motion consistency in consecutive frames. (3) A large kernel backbone with a large receptive field for effectively capturing long-range spatial contextual features caused by changes in object positions. Experiments on the KITTI Tracking dataset show that, compared with the strong baseline, StreamDSGN significantly improves the streaming average precision by up to 4.33%. Our code is available at https://github.com/weiyangdaren/streamDSGN-pytorch.
Parallelizing Linear Transformers with the Delta Rule over Sequence Length
Authors: Songlin Yang, Bailin Wang, Yu Zhang, Yikang Shen, Yoon Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transformers with linear attention (i.e., linear transformers) and state-space models have recently been suggested as a viable linear-time alternative to transformers with softmax attention. However, these models still underperform transformers especially on tasks that require in-context retrieval. While more expressive variants of linear transformers which replace the additive update in linear transformers with the delta rule (DeltaNet) have been found to be more effective at associative recall, existing algorithms for training such models do not parallelize over sequence length and are thus inefficient to train on modern hardware. This work describes a hardware-efficient algorithm for training linear transformers with the delta rule, which exploits a memory-efficient representation for computing products of Householder matrices. This algorithm allows us to scale up DeltaNet to standard language modeling settings. We train a 1.3B model for 100B tokens and find that it outperforms recent linear-time baselines such as Mamba and GLA in terms of perplexity and zero-shot performance on downstream tasks. We also experiment with two hybrid models which combine DeltaNet layers with (1) sliding-window attention layers every other layer or (2) two global attention layers, and find that these hybrids outperform strong transformer baselines.
Cost-aware Bayesian Optimization via the Pandora's Box Gittins Index
Authors: Qian Xie, Raul Astudillo, Peter I. Frazier, Ziv Scully, Alexander Terenin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Bayesian optimization is a technique for efficiently optimizing unknown functions in a black-box manner. To handle practical settings where gathering data requires use of finite resources, it is desirable to explicitly incorporate function evaluation costs into Bayesian optimization policies. To understand how to do so, we develop a previously-unexplored connection between cost-aware Bayesian optimization and the Pandora's Box problem, a decision problem from economics. The Pandora's Box problem admits a Bayesian-optimal solution based on an expression called the Gittins index, which can be reinterpreted as an acquisition function. We study the use of this acquisition function for cost-aware Bayesian optimization, and demonstrate empirically that it performs well, particularly in medium-high dimensions. We further show that this performance carries over to classical Bayesian optimization without explicit evaluation costs. Our work constitutes a first step towards integrating techniques from Gittins index theory into Bayesian optimization.
Adaptable Logical Control for Large Language Models
Authors: Honghua Zhang, Po-Nien Kung, Masahiro Yoshida, Guy Van den Broeck, Nanyun Peng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite the success of Large Language Models (LLMs) on various tasks following human instructions, controlling model generation to follow strict constraints at inference time poses a persistent challenge. In this paper, we introduce Ctrl-G, a neuro-symbolic framework that enables tractable and adaptable control of LLM generation to follow logical constraints reliably. Ctrl-G combines any production-ready LLM with a Hidden Markov Model (HMM), guiding LLM outputs to adhere to logical constraints represented as deterministic finite automata. We show that Ctrl-G, when a TULU2-7B model is coupled with a 2B-parameter HMM, outperforms GPT4 in text editing: on the task of generating text insertions/continuations following logical constraints, our approach achieves over 30% higher satisfaction rate in human evaluation. When applied to medium-size language models (e.g., GPT2-large), Ctrl-G also beats its counterparts on standard benchmarks by large margins. Additionally, as a proof-of-concept study, we use Ctrl-G to assist LLM reasoning on the GSM benchmark, foreshadowing the application of Ctrl-G, as well as other constrained generation approaches, beyond traditional language generation tasks.
FLAME : Factuality-Aware Alignment for Large Language Models
Authors: Sheng-Chieh Lin, Luyu Gao, Barlas Oguz, Wenhan Xiong, Jimmy Lin, Wen-tau Yih, Xilun Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Alignment is a procedure to fine-tune pre-trained large language models (LLMs) to follow natural language instructions and serve as helpful AI assistants. We have observed, however, that the conventional alignment process fails to enhance the factual accuracy of LLMs, and often leads to the generation of more false facts (i.e., hallucination). In this paper, we study how to make the LLM alignment process more factual, by first identifying factors that lead to hallucination in both alignment steps: supervised fine-tuning (SFT) and reinforcement learning (RL).In particular, we find that training the LLM on new or unfamiliar knowledge can encourage hallucination.This makes SFT less factual as it trains on human-labeled data that may be novel to the LLM. Furthermore, reward functions used in standard RL often inadequately capture factuality and favor longer and more detailed responses, which inadvertently promote hallucination.Based on these observations, we propose FactuaLity-aware AlignMEnt, comprised of factuality-aware SFT and factuality-aware RL through direct preference optimization. Experiments show that our proposed FLAME guides LLMs to output more factual responses while maintaining their instruction-following capability.
FIARSE: Model-Heterogeneous Federated Learning via Importance-Aware Submodel Extraction
Authors: Feijie Wu, Xingchen Wang, Yaqing Wang, Tianci Liu, Lu Su, Jing Gao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In federated learning (FL), accommodating clients' varied computational capacities poses a challenge, often limiting the participation of those with constrained resources in global model training.  To address this issue, the concept of model heterogeneity through submodel extraction has emerged, offering a tailored solution that aligns the model's complexity with each client's computational capacity. In this work, we propose Federated Importance-Aware Submodel Extraction (FIARSE), a novel approach that dynamically adjusts submodels based on the importance of model parameters, thereby overcoming the limitations of previous static and dynamic submodel extraction methods.  Compared to existing works, the proposed method offers a theoretical foundation for the submodel extraction and eliminates the need for additional information beyond the model parameters themselves to determine parameter importance, significantly reducing the overhead on clients. Extensive experiments are conducted on various datasets to showcase the superior performance of the proposed FIARSE.
Clustering in Causal Attention Masking
Authors: Nikita Karagodin, Yury Polyanskiy, Philippe Rigollet
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This work presents a modification of the self-attention dynamics proposed in Geshkovski et al to better reflect the practically relevant, causally masked attention used in transformer architectures for generative AI. This modification translates into an interacting particle system that cannot be interpreted as a mean-field gradient flow. Despite this loss of structure, we significantly strengthen the results of Geshkovski et al in this context: While previous rigorous results focused on cases where all three matrices (key, query, and value) were scaled identities, we prove asymptotic convergence to a single cluster for arbitrary key-query matrices and value matrix equal to the identity.Additionally, we establish a connection to the classical R\'enyi parking problem from combinatorial geometry to make initial theoretical steps towards demonstrating the existence of meta-stable states.
The Selective $G$-Bispectrum and its Inversion: Applications to $G$-Invariant Networks
Authors: Simon Mataigne, Johan Mathe, Sophia Sanborn, Christopher Hillar, Nina Miolane
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: An important problem in signal processing and deep learning is to achieve *invariance* to nuisance factors not relevant for the task. Since many of these factors are describable as the action of a group $G$ (e.g. rotations, translations, scalings), we want methods to be $G$-invariant. The $G$-Bispectrum extracts every characteristic of a given signal up to group action: for example, the shape of an object in an image, but not its orientation. Consequently, the $G$-Bispectrum has been incorporated into deep neural network architectures as a computational primitive for $G$-invariance\textemdash akin to a pooling mechanism, but with greater selectivity and robustness. However, the computational cost of the $G$-Bispectrum ($\mathcal{O}(|G|^2)$, with $|G|$ the size of the group) has limited its widespread adoption. Here, we show that the $G$-Bispectrum computation contains redundancies that can be reduced into a *selective $G$-Bispectrum* with $\mathcal{O}(|G|)$ complexity. We prove desirable mathematical properties of the selective $G$-Bispectrum and demonstrate how its integration in neural networks enhances accuracy and robustness compared to traditional approaches, while enjoying considerable speeds-up compared to the full $G$-Bispectrum.
Schedule Your Edit: A Simple yet Effective Diffusion Noise Schedule for Image Editing
Authors: Haonan Lin, Yan Chen, Jiahao Wang, Wenbin An, Mengmeng Wang, Feng Tian, Yong Liu, Guang Dai, Jingdong Wang, Qianying Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Text-guided diffusion models have significantly advanced image editing, enabling high-quality and diverse modifications driven by text prompts. However, effective editing requires inverting the source image into a latent space, a process often hindered by prediction errors inherent in DDIM inversion. These errors accumulate during the diffusion process, resulting in inferior content preservation and edit fidelity, especially with conditional inputs. We address these challenges by investigating the primary contributors to error accumulation in DDIM inversion and identify the singularity problem in traditional noise schedules as a key issue. To resolve this, we introduce the Logistic Schedule, a novel noise schedule designed to eliminate singularities, improve inversion stability, and provide a better noise space for image editing. This schedule reduces noise prediction errors, enabling more faithful editing that preserves the original content of the source image. Our approach requires no additional retraining and is compatible with various existing editing methods. Experiments across eight editing tasks demonstrate the Logistic Schedule's superior performance in content preservation and edit fidelity compared to traditional noise schedules, highlighting its adaptability and effectiveness. The project page is available at https://lonelvino.github.io/SYE/.
Geometry Awakening: Cross-Geometry Learning Exhibits Superiority over Individual Structures
Authors: Yadong Sun, Xiaofeng Cao, Yu Wang, Wei Ye, Jingcai Guo, Qing Guo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent research has underscored the efficacy of Graph Neural Networks (GNNs) in modeling diverse geometric structures within graph data. However, real-world graphs typically exhibit geometrically heterogeneous characteristics, rendering the confinement to a single geometric paradigm insufficient for capturing their intricate structural complexities. To address this limitation, we examine the performance of GNNs across various geometries through the lens of knowledge distillation (KD) and introduce a novel cross-geometric framework. This framework encodes graphs by integrating both Euclidean and hyperbolic geometries in a space-mixing fashion. Our approach employs multiple teacher models, each generating hint embeddings that encapsulate distinct geometric properties. We then implement a structure-wise knowledge transfer module that optimally leverages these embeddings within their respective geometric contexts, thereby enhancing the training efficacy of the student model. Additionally, our framework incorporates a geometric optimization network designed to bridge the distributional disparities among these embeddings. Experimental results demonstrate that our model-agnostic framework more effectively captures topological graph knowledge, resulting in superior performance of the student models when compared to traditional KD methodologies.
Advancing Training Efficiency of Deep Spiking Neural Networks through Rate-based Backpropagation
Authors: Chengting Yu, Lei Liu, Gaoang Wang, Erping Li, Aili Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent insights have revealed that rate-coding is a primary form of information representation captured by surrogate-gradient-based Backpropagation Through Time (BPTT) in training deep Spiking Neural Networks (SNNs). Motivated by these findings, we propose rate-based backpropagation, a training strategy specifically designed to exploit rate-based representations to reduce the complexity of BPTT. Our method minimizes reliance on detailed temporal derivatives by focusing on averaged dynamics, streamlining the computational graph to reduce memory and computational demands of SNNs training. We substantiate the rationality of the gradient approximation between BPTT and the proposed method through both theoretical analysis and empirical observations. Comprehensive experiments on CIFAR-10, CIFAR-100, ImageNet, and CIFAR10-DVS validate that our method achieves comparable performance to BPTT counterparts, and surpasses state-of-the-art efficient training techniques. By leveraging the inherent benefits of rate-coding, this work sets the stage for more scalable and efficient SNNs training within resource-constrained environments.
Exploring Jacobian Inexactness in Second-Order Methods for Variational Inequalities: Lower Bounds, Optimal Algorithms and Quasi-Newton Approximations
Authors: Artem Agafonov, Petr Ostroukhov, Roman Mozhaev, Konstantin Yakovlev, Eduard Gorbunov, Martin Takáč, Alexander Gasnikov, Dmitry Kamzolov
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Variational inequalities represent a broad class of problems, including minimization and min-max problems, commonly found in machine learning. Existing second-order and high-order methods for variational inequalities require precise computation of derivatives, often resulting in prohibitively high iteration costs. In this work, we study the impact of Jacobian inaccuracy on second-order methods. For the smooth and monotone case, we establish a lower bound with explicit dependence on the level of Jacobian inaccuracy and propose an optimal algorithm for this key setting. When derivatives are exact, our method converges at the same rate as exact optimal second-order methods. To reduce the cost of solving the auxiliary problem, which arises in all high-order methods with global convergence, we introduce several Quasi-Newton approximations. Our method with Quasi-Newton updates achieves a global sublinear convergence rate. We extend our approach with a tensor generalization for inexact high-order derivatives and support the theory with experiments.
A Neuro-Symbolic Benchmark Suite for Concept Quality and Reasoning Shortcuts
Authors: Samuele Bortolotti, Emanuele Marconato, Tommaso Carraro, Paolo Morettin, Emile van Krieken, Antonio Vergari, Stefano Teso, Andrea Passerini
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: The advent of powerful neural classifiers has increased interest in problems that require both learning and reasoning.These problems are critical for understanding important properties of models, such as trustworthiness, generalization, interpretability, and compliance to safety and structural constraints. However, recent research observed that tasks requiring both learning and reasoning on background knowledge often suffer from reasoning shortcuts (RSs): predictors can solve the downstream reasoning task without associating the correct concepts to the high-dimensional data. To address this issue, we introduce rsbench, a comprehensive benchmark suite designed to systematically evaluate the impact of RSs on models by providing easy access to highly customizable tasks affected by RSs. Furthermore, rsbench implements common metrics for evaluating concept quality and introduces novel formal verification procedures for assessing the presence of RSs in learning tasks. Using rsbench, we highlight that obtaining high quality concepts in both purely neural and neuro-symbolic models is a far-from-solved problem. rsbench is available at: https://unitn-sml.github.io/rsbench.
Provable Benefits of Complex Parameterizations for Structured State Space Models
Authors: Yuval Ran-Milo, Eden Lumbroso, Edo Cohen-Karlik, Raja Giryes, Amir Globerson, Nadav Cohen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Structured state space models (SSMs), the core engine behind prominent neural networks such as S4 and Mamba, are linear dynamical systems adhering to a specified structure, most notably diagonal. In contrast to typical neural network modules, whose parameterizations are real, SSMs often use complex parameterizations. Theoretically explaining the benefits of complex parameterizations for SSMs is an open problem. The current paper takes a step towards its resolution, by establishing formal gaps between real and complex diagonal SSMs. Firstly, we prove that while a moderate dimension suffices in order for a complex SSM to express all mappings of a real SSM, a much higher dimension is needed for a real SSM to express mappings of a complex SSM. Secondly, we prove that even if the dimension of a real SSM is high enough to express a given mapping, typically, doing so requires the parameters of the real SSM to hold exponentially large values, which cannot be learned in practice. In contrast, a complex SSM can express any given mapping with moderate parameter values. Experiments corroborate our theory, and suggest a potential extension of the theory that accounts for selectivity, a new architectural feature yielding state of the art performance.
A teacher-teacher framework for clinical language representation learning
Authors: Feiqing Huang, Shenghan Zhang, Sara Morini Sweet, Tianxi Cai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In recent years, there has been a proliferation of ready-to-use large language models (LLMs) designed for various applications, both general-purpose and domain-specific. Instead of advocating for the development of a new model or continuous pretraining of an existing one, this paper introduces a pragmatic teacher-teacher framework to facilitate mutual learning between two pre-existing models.By leveraging two teacher models possessing complementary knowledge, we introduce a LIghtweight kNowledge alignmEnt (LINE) module aimed at harmonizing their knowledge within a unified representation space. This framework is particularly valuable in clinical settings, where stringent regulations and privacy considerations dictate the handling of detailed clinical notes. Our trained LINE module excels in capturing critical information from clinical notes, leveraging highly de-identified data. Validation and downstream tasks further demonstrate the effectiveness of the proposed framework.
WONDERBREAD: A Benchmark for Evaluating Multimodal Foundation Models on Business Process Management Tasks
Authors: Michael Wornow, Avanika Narayan, Ben Viggiano, Ishan S. Khare, Tathagat Verma, Tibor Thompson, Miguel Angel Fuentes Hernandez, Sudharsan Sundar, Chloe Trujillo, Krrish Chawla, Rongfei Lu, Justin Shen, Divya Nagaraj, Joshua Martinez, Vardhan Agrawal, Althea Hudson, Nigam H. Shah, Christopher Ré
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Existing ML benchmarks lack the depth and diversity of annotations needed for evaluating models on business process management (BPM) tasks. BPM is the practice of documenting, measuring, improving, and automating enterprise workflows. However, research has focused almost exclusively on one task -- full end-to-end automation using agents based on multimodal foundation models (FMs) like GPT-4. This focus on automation ignores the reality of how most BPM tools are applied today -- simply documenting the relevant workflow takes 60% of the time of the typical process optimization project. To address this gap we present WONDERBREAD, the first benchmark for evaluating multimodal FMs on BPM tasks beyond automation. Our contributions are: (1) a dataset containing 2928 documented workflow demonstrations; (2) 6 novel BPM tasks sourced from real-world applications ranging from workflow documentation to knowledge transfer to process improvement; and (3) an automated evaluation harness. Our benchmark shows that while state-of-the-art FMs can automatically generate documentation (e.g. recalling 88% of the steps taken in a video demonstration of a workflow), they struggle to re-apply that knowledge towards finer-grained validation of workflow completion (F1 < 0.3). We hope WONDERBREAD encourages the development of more "human-centered" AI tooling for enterprise applications and furthers the exploration of multimodal FMs for the broader universe of BPM tasks. We publish our dataset and experiments here: https://github.com/HazyResearch/wonderbread
Testing Calibration in Nearly-Linear Time
Authors: Lunjia Hu, Arun Jambulapati, Kevin Tian, Chutong Yang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In the recent literature on machine learning and decision making, calibration has emerged as a desirable and widely-studied statistical property of the outputs of binary prediction models. However, the algorithmic aspects of measuring model calibration have remained relatively less well-explored. Motivated by Blasiok et al '23, which proposed a rigorous framework for measuring distances to calibration, we initiate the algorithmic study of calibration through the lens of property testing. We define the problem of calibration testing from samples where given $n$ draws from a distribution $\mathcal{D}$ on $(\text{predictions}, \text{binary outcomes})$, our goal is to distinguish between the cases where $\mathcal{D}$ is perfectly calibrated or $\epsilon$-far from calibration. We make the simple observation that the empirical smooth calibration linear program can be reformulated as an instance of minimum-cost flow on a highly-structured graph, and design an exact dynamic programming-based solver for it which runs in time $O(n\log^2(n))$, and solves the calibration testing problem information-theoretically optimally in the same time. This improves upon state-of-the-art black-box linear program solvers requiring $\Omega(n^\omega)$ time, where $\omega > 2$ is the exponent of matrix multiplication. We also develop algorithms for tolerant variants of our testing problem improving upon black-box linear program solvers, and give sample complexity lower bounds for alternative calibration measures to the one considered in this work. Finally, we present experiments showing the testing problem we define faithfully captures standard notions of calibration, and that our algorithms scale efficiently to accommodate large sample sizes.
Towards Flexible 3D Perception: Object-Centric Occupancy Completion Augments 3D Object Detection
Authors: Chaoda Zheng, Feng Wang, Naiyan Wang, Shuguang Cui, Zhen Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While 3D object bounding box (bbox) representation has been widely used in autonomous driving perception, it lacks the ability to capture the precise details of an object's intrinsic geometry. Recently, occupancy has emerged as a promising alternative for 3D scene perception. However, constructing a high-resolution occupancy map remains infeasible for large scenes due to computational constraints. Recognizing that foreground objects only occupy a small portion of the scene, we introduce object-centric occupancy as a supplement to object bboxes. This representation not only provides intricate details for detected objects but also enables higher voxel resolution in practical applications. We advance the development of object-centric occupancy perception from both data and algorithm perspectives. On the data side, we construct the first object-centric occupancy dataset from scratch using an automated pipeline. From the algorithmic standpoint, we introduce a novel object-centric occupancy completion network equipped with an implicit shape decoder that manages dynamic-size occupancy generation. This network accurately predicts the complete object-centric occupancy volume for inaccurate object proposals by leveraging temporal information from long sequences. Our method demonstrates robust performance in completing object shapes under noisy detection and tracking conditions. Additionally, we show that our occupancy features significantly enhance the detection results of state-of-the-art 3D object detectors, especially for incomplete or distant objects in the Waymo Open Dataset.
Jointly Modeling Inter- & Intra-Modality Dependencies for Multi-modal Learning
Authors: Divyam Madaan, Taro Makino, Sumit Chopra, Kyunghyun Cho
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Supervised multi-modal learning involves mapping multiple modalities to a target label. Previous studies in this field have concentrated on capturing in isolation either the inter-modality dependencies (the relationships between different modalities and the label) or the intra-modality dependencies (the relationships within a single modality and the label). We argue that these conventional approaches that rely solely on either inter- or intra-modality dependencies may not be optimal in general. We view the multi-modal learning problem from the lens of generative models where we consider the target as a source of multiple modalities and the interaction between them. Towards that end, we propose inter- \& intra-modality modeling (I2M2) framework, which captures and integrates both the inter- and intra-modality dependencies, leading to more accurate predictions. We evaluate our approach using real-world healthcare and vision-and-language datasets with state-of-the-art models, demonstrating superior performance over traditional methods focusing only on one type of modality dependency. The code is available at https://github.com/divyam3897/I2M2.
You Don’t Need Domain-Specific Data Augmentations When Scaling Self-Supervised Learning
Authors: Théo Moutakanni, Maxime Oquab, Marc Szafraniec, Maria Vakalopoulou, Piotr Bojanowski
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Self-Supervised learning (SSL) with Joint-Embedding Architectures (JEA) has led to outstanding performances. All instantiations of this paradigm were trained using strong and well-established hand-crafted data augmentations, leading to the general belief that they are required for the proper training and performance of such models. On the other hand, generative reconstruction-based models such as BEIT and MAE or Joint-Embedding Predictive Architectures such as I-JEPA have shown strong performance without using data augmentations except masking. In this work, we challenge the importance of invariance and data-augmentation in JEAs at scale. By running a case-study on a recent SSL foundation model -- DINOv2 -- we show that strong image representations can be obtained with JEAs and only cropping without resizing provided the training data is large enough, reaching state-of-the-art results and using the least amount of augmentation in the literature. Through this study, we also discuss the impact of compute constraints on the outcomes of experimental deep learning research, showing that they can lead to very different conclusions.
$\textit{Read-ME}$: Refactorizing LLMs as Router-Decoupled Mixture of Experts with System Co-Design
Authors: Ruisi Cai, Yeonju Ro, Geon-Woo Kim, Peihao Wang, Babak Ehteshami Bejnordi, Aditya Akella, Zhangyang Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The proliferation of large language models (LLMs) has led to the adoption of Mixture-of-Experts (MoE) architectures that dynamically leverage specialized subnetworks for improved efficiency and performance. Despite their benefits, MoE models face significant challenges during inference, including inefficient memory management and suboptimal batching, due to misaligned design choices between the model architecture and the system policies. Furthermore, the conventional approach of training MoEs from scratch is increasingly prohibitive in terms of cost. In this paper, we propose a novel framework $\textit{Read-ME}$ that transforms pre-trained dense LLMs into smaller MoE models (in contrast to ``upcycling" generalist MoEs), avoiding the high costs of ground-up training. Our approach employs activation sparsity to extract experts. To compose experts, we examine the widely-adopted layer-wise router design and show its redundancy, and thus we introduce the pre-gating router decoupled from the MoE backbone that facilitates system-friendly pre-computing and lookahead scheduling, enhancing expert-aware batching and caching.Our codesign therefore addresses critical gaps on both the algorithmic and system fronts, establishing a scalable and efficient alternative for LLM inference in resource-constrained settings.$\textit{Read-ME}$  outperforms other popular open-source dense models of similar scales, achieving improvements of up to 10.1\% on MMLU, and improving mean end-to-end latency up to 6.1\%. Codes are available at: \url{https://github.com/VITA-Group/READ-ME}.
A SARS-CoV-2 Interaction Dataset and VHH Sequence Corpus for Antibody Language Models
Authors: Hirofumi Tsuruta, Hiroyuki Yamazaki, Ryota Maeda, Ryotaro Tamura, Akihiro Imura
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Antibodies are crucial proteins produced by the immune system to eliminate harmful foreign substances and have become pivotal therapeutic agents for treating human diseases.To accelerate the discovery of antibody therapeutics, there is growing interest in constructing language models using antibody sequences.However, the applicability of pre-trained language models for antibody discovery has not been thoroughly evaluated due to the scarcity of labeled datasets.To overcome these limitations, we introduce AVIDa-SARS-CoV-2, a dataset featuring the antigen-variable domain of heavy chain of heavy chain antibody (VHH) interactions obtained from two alpacas immunized with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike proteins.AVIDa-SARS-CoV-2 includes binary labels indicating the binding or non-binding of diverse VHH sequences to 12 SARS-CoV-2 mutants, such as the Delta and Omicron variants.Furthermore, we release VHHCorpus-2M, a pre-training dataset for antibody language models, containing over two million VHH sequences.We report benchmark results for predicting SARS-CoV-2-VHH binding using VHHBERT pre-trained on VHHCorpus-2M and existing general protein and antibody-specific pre-trained language models.These results confirm that AVIDa-SARS-CoV-2 provides valuable benchmarks for evaluating the representation capabilities of antibody language models for binding prediction, thereby facilitating the development of AI-driven antibody discovery.The datasets are available at https://datasets.cognanous.com.
Exploring and Exploiting the Asymmetric Valley of Deep Neural Networks
Authors: Xin-Chun Li, Jin-Lin Tang, Bo Zhang, Lan Li, De-Chuan Zhan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Exploring the loss landscape offers insights into the inherent principles of deep neural networks (DNNs). Recent work suggests an additional asymmetry of the valley beyond the flat and sharp ones, yet without thoroughly examining its causes or implications. Our study methodically explores the factors affecting the symmetry of DNN valleys, encompassing (1) the dataset, network architecture, initialization, and hyperparameters that influence the convergence point; and (2) the magnitude and direction of the noise for 1D visualization. Our major observation shows that the {\it degree of sign consistency} between the noise and the convergence point is a critical indicator of valley symmetry. Theoretical insights from the aspects of ReLU activation and softmax function could explain the interesting phenomenon. Our discovery propels novel understanding and applications in the scenario of Model Fusion: (1) the efficacy of interpolating separate models significantly correlates with their sign consistency ratio, and (2) imposing sign alignment during federated learning emerges as an innovative approach for model parameter alignment.
Instructor-inspired Machine Learning for Robust Molecular Property Prediction
Authors: Fang Wu, Shuting Jin, Siyuan Li, Stan Z. Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Machine learning catalyzes a revolution in chemical and biological science. However, its efficacy is heavily dependent on the availability of labeled data, and annotating biochemical data is extremely laborious. To surmount this data sparsity challenge, we present an instructive learning algorithm named InstructMol to measure pseudo-labels' reliability and help the target model leverage large-scale unlabeled data. InstructMol does not require transferring knowledge between multiple domains, which avoids the potential gap between the pretraining and fine-tuning stages. We demonstrated the high accuracy of InstructMol on several real-world molecular datasets and out-of-distribution (OOD) benchmarks.
Nuclear Norm Regularization for Deep Learning
Authors: Christopher Scarvelis, Justin Solomon
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its SVD. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions $f = g \circ h$, one may equivalently penalize the average squared Frobenius norm of $Jg$ and $Jh$. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.
SE(3)-bi-equivariant Transformers for Point Cloud Assembly
Authors: Ziming Wang, Rebecka Jörnsten
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Given a pair of point clouds, the goal of assembly is to recover a rigid transformation that aligns one point cloud to the other. This task is challenging because the point clouds may be non-overlapped, and they may have arbitrary initial positions. To address these difficulties, we propose a method, called $SE(3)$-bi-equivariant transformer (BITR), based on the $SE(3)$-bi-equivariance prior of the task:it guarantees that when the inputs are rigidly perturbed, the output will transform accordingly.   Due to its equivariance property, BITR can not only handle non-overlapped PCs, but also  guarantee robustness against initial positions. Specifically, BITR first extracts features of the inputs using a novel $SE(3) \times SE(3)$-transformer, and then projects the learned feature to group $SE(3)$ as the output. Moreover, we theoretically show that swap and scale equivariances can be incorporated into BITR, thus it further guarantees stable performance under scaling and swapping the inputs. We experimentally show the effectiveness of BITR in practical tasks.
Universal Rates of Empirical Risk Minimization
Authors: Steve Hanneke, Mingyue Xu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The well-known $\textit{empirical risk minimization}$ (ERM) principle is the basis of many widely used machine learning algorithms, and plays an essential role in the classical PAC theory. A common description of a learning algorithm's performance is its so-called “learning curve”, that is, the decay of the expected error as a function of the input sample size. As the PAC model fails to explain the behavior of learning curves, recent research has explored an alternative universal learning model and has ultimately revealed a distinction between optimal universal and uniform learning rates (Bousquet et al., 2021). However, a basic understanding of such differences with a particular focus on the ERM principle has yet to be developed.     In this paper, we consider the problem of universal learning by ERM in the realizable case and study the possible universal rates. Our main result is a fundamental $\textit{tetrachotomy}$: there are only four possible universal learning rates by ERM, namely, the learning curves of any concept class learnable by ERM decay either at $e^{-n}$, $1/n$, $\log{(n)}/n$, or arbitrarily slow rates. Moreover, we provide a complete characterization of which concept classes fall into each of these categories, via new complexity structures. We also develop new combinatorial dimensions which supply sharp asymptotically-valid constant factors for these rates, whenever possible.
Attention Temperature Matters in ViT-Based Cross-Domain Few-Shot Learning
Authors: Yixiong Zou, Ran Ma, Yuhua Li, Ruixuan Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Cross-domain few-shot learning (CDFSL) is proposed to transfer knowledge from large-scale source-domain datasets to downstream target-domain datasets with only a few training samples. However, Vision Transformer (ViT), as a strong backbone network to achieve many top performances, is still under-explored in the CDFSL task in its transferability against large domain gaps. In this paper, we find an interesting phenomenon of ViT in the CDFSL task: by simply multiplying a temperature (even as small as 0) to the attention in ViT blocks, the target-domain performance consistently increases, even though the attention map is downgraded to a uniform map. In this paper, we delve into this phenomenon for an interpretation. Through experiments, we interpret this phenomenon as a remedy for the ineffective target-domain attention caused by the query-key attention mechanism under large domain gaps. Based on it, we further propose a simple but effective method for the CDFSL task to boost ViT's transferability by resisting the learning of query-key parameters and encouraging that of non-query-key ones. Experiments on four CDFSL datasets validate the rationale of our interpretation and method, showing we can consistently outperform state-of-the-art methods. Our codes are available at https://github.com/Zoilsen/AttnTempCDFSL.
LocCa: Visual Pretraining with Location-aware Captioners
Authors: Bo Wan, Michael Tschannen, Yongqin Xian, Filip Pavetic, Ibrahim Alabdulmohsin, Xiao Wang, André Susano Pinto, Andreas Steiner, Lucas Beyer, Xiaohua Zhai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Image captioning was recently found to be an effective pretraining method similar to contrastive pretraining. This opens up the largely-unexplored potential of using natural language as a flexible and powerful interface for handling diverse pretraining tasks. In this paper, we demonstrate this with a novel visual pretraining paradigm, LocCa, that incorporates location-aware tasks into captioners to teach models to extract rich information from images. Specifically, LocCa employs two tasks, bounding box prediction and location-dependent captioning, conditioned on the image pixel input. Thanks to the multitask capabilities of an encoder-decoder architecture, we show that an image captioner can effortlessly handle multiple tasks during pretraining. LocCa significantly outperforms standard captioners on downstream localization tasks, achieving state-of-the-art results on RefCOCO/+/g, while maintaining comparable performance on holistic tasks. Our work paves the way for further exploration of natural language interfaces in visual pretraining.