mtybilly/Instruct2DS huggingface dataset:
RTify: Aligning Deep Neural Networks with Human Behavioral Decisions
Authors: Yu-Ang Cheng, Ivan Felipe Rodriguez, Sixuan Chen, Kohitij Kar, Takeo Watanabe, Thomas Serre
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current neural network models of primate vision focus on replicating overall levels of behavioral accuracy, often neglecting perceptual decisions' rich, dynamic nature. Here, we introduce a novel computational framework to model the dynamics of human behavioral choices by learning to align the temporal dynamics of a recurrent neural network (RNN) to human reaction times (RTs). We describe an approximation that allows us to constrain the number of time steps an RNN takes to solve a task with human RTs. The approach is extensively evaluated against various psychophysics experiments. We also show that the approximation can be used to optimize an ``ideal-observer'' RNN model to achieve an optimal tradeoff between speed and accuracy without human data. The resulting model is found to account well for human RT data. Finally, we use the approximation to train a deep learning implementation of the popular Wong-Wang decision-making model. The model is integrated with a convolutional neural network (CNN) model of visual processing and evaluated using both artificial and natural image stimuli. Overall, we present a novel framework that helps align current vision models with human behavior, bringing us closer to an integrated model of human vision.
Transductive Learning is Compact
Authors: Julian Asilis, Siddartha Devic, Shaddin Dughmi, Vatsal Sharan, Shang-Hua Teng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We demonstrate a compactness result holding broadly across supervised learning with a general class of loss functions: Any hypothesis class $\mathcal{H}$ is learnable with transductive sample complexity $m$ precisely when all of its finite projections are learnable with sample complexity $m$. We prove that this exact form of compactness holds for realizable and agnostic learning with respect to all proper metric loss functions (e.g., any norm on $\mathbb{R}^d$) and any continuous loss on a compact space (e.g., cross-entropy, squared loss). For realizable learning with improper metric losses, we show that exact compactness of sample complexity can fail, and provide matching upper and lower bounds of a factor of 2 on the extent to which such sample complexities can differ. We conjecture that larger gaps are possible for the agnostic case. Furthermore, invoking the equivalence between sample complexities in the PAC and transductive models (up to lower order factors, in the realizable case) permits us to directly port our results to the PAC model, revealing an almost-exact form of compactness holding broadly in PAC learning.
EpiCare: A Reinforcement Learning Benchmark for Dynamic Treatment Regimes
Authors: Mason Hargrave, Alex Spaeth, Logan Grosenick
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Healthcare applications pose significant challenges to existing reinforcement learning (RL) methods due to implementation risks, low data availability, short treatment episodes, sparse rewards, partial observations, and heterogeneous treatment effects. Despite significant interest in using RL to generate dynamic treatment regimes for longitudinal patient care scenarios, no standardized benchmark has yet been developed.To fill this need we introduce Episodes of Care (EpiCare), a benchmark designed to mimic the challenges associated with applying RL to longitudinal healthcare settings. We leverage this benchmark to test five state-of-the-art offline RL models as well as five common off-policy evaluation (OPE) techniques.Our results suggest that while offline RL may be capable of improving upon existing standards of care given large data availability, its applicability does not appear to extend to the moderate to low data regimes typical of healthcare settings. Additionally, we demonstrate that several OPE techniques which have become standard in the the medical RL literature fail to perform adequately on our benchmark. These results suggest that the performance of RL models in dynamic treatment regimes may be difficult to meaningfully evaluate using current OPE methods, indicating that RL for this application may still be in its early stages. We hope that these results along with the benchmark itself will facilitate the comparison of existing methods and inspire further research into techniques that increase the practical applicability of medical RL.
Self-Guiding Exploration for Combinatorial Problems
Authors: Zangir Iklassov, Yali Du, Farkhad Akimov, Martin Takáč
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) have become pivotal in addressing reasoning tasks across diverse domains, including arithmetic, commonsense, and symbolic reasoning. They utilize prompting techniques such as Exploration-of-Thought, Decomposition, and Refinement to effectively navigate and solve intricate tasks. Despite these advancements, the application of LLMs to Combinatorial Problems (CPs), known for their NP-hardness and critical roles in logistics and resource management remains underexplored. To address this gap, we introduce a novel prompting strategy: Self-Guiding Exploration (SGE), designed to enhance the performance of solving CPs. SGE operates autonomously, generating multiple thought trajectories for each CP task. It then breaks these trajectories down into actionable subtasks, executes them sequentially, and refines the results to ensure optimal outcomes. We present our research as the first to apply LLMs to a broad range of CPs and demonstrate that SGE outperforms existing prompting strategies by over 27.84% in CP optimization performance. Additionally, SGE achieves a 2.46% higher accuracy over the best existing results in other reasoning tasks (arithmetic, commonsense, and symbolic).
Minimizing UCB: a Better Local Search Strategy in Local Bayesian Optimization
Authors: Zheyi Fan, Wenyu Wang, Szu Hui Ng, Qingpei Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Local Bayesian optimization is a promising practical approach to solve the high dimensional black-box function optimization problem. Among them is the approximated gradient class of methods, which implements a strategy similar to gradient descent. These methods have achieved good experimental results and theoretical guarantees. However, given the distributional properties of the Gaussian processes applied on these methods, there may be potential to further exploit the information of the Gaussian processes to facilitate the BO search. In this work, we develop the relationship between the steps of the gradient descent method and one that minimizes the Upper Confidence Bound (UCB), and show that the latter can be a better strategy than direct gradient descent when a Gaussian process is applied as a surrogate. Through this insight, we propose a new local Bayesian optimization algorithm, MinUCB, which replaces the gradient descent step with minimizing UCB in GIBO. We further show that MinUCB maintains a similar convergence rate with GIBO. We then improve the acquisition function of MinUCB further through a look ahead strategy, and obtain a more efficient algorithm LA-MinUCB. We apply our algorithms on different synthetic and real-world functions, and the results show the effectiveness of our method. Our algorithms also illustrate improvements on local search strategies from an upper bound perspective in Bayesian optimization, and provides a new direction for future algorithm design.
From Similarity to Superiority: Channel Clustering for Time Series Forecasting
Authors: Jialin Chen, Jan Eric Lenssen, Aosong Feng, Weihua Hu, Matthias Fey, Leandros Tassiulas, Jure Leskovec, Rex Ying
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Time series forecasting has attracted significant attention in recent decades.    Previous studies have demonstrated that the Channel-Independent (CI) strategy improves forecasting performance by treating different channels individually, while it leads to poor generalization on unseen instances and ignores potentially necessary interactions between channels. Conversely, the Channel-Dependent (CD) strategy mixes all channels with even irrelevant and indiscriminate information, which, however, results in oversmoothing issues and limits forecasting accuracy.    There is a lack of channel strategy that effectively balances individual channel treatment for improved forecasting performance without overlooking essential interactions between channels. Motivated by our observation of a correlation between the time series model's performance boost against channel mixing and the intrinsic similarity on a pair of channels, we developed a novel and adaptable \textbf{C}hannel \textbf{C}lustering \textbf{M}odule (CCM). CCM dynamically groups channels characterized by intrinsic similarities and leverages cluster information instead of individual channel identities, combining the best of CD and CI worlds. Extensive experiments on real-world datasets demonstrate that CCM can (1) boost the performance of CI and CD models by an average margin of 2.4% and 7.2% on long-term and short-term forecasting, respectively; (2) enable zero-shot forecasting with mainstream time series forecasting models; (3) uncover intrinsic time series patterns among channels and improve interpretability of complex time series models.
Resfusion: Denoising Diffusion Probabilistic Models for Image Restoration Based on Prior Residual Noise
Authors: Zhenning Shi, Haoshuai Zheng, Chen Xu, Changsheng Dong, Bin Pan, Xueshuo Xie, Along He, Tao Li, Huazhu Fu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recently, research on denoising diffusion models has expanded its application to the field of image restoration. Traditional diffusion-based image restoration methods utilize degraded images as conditional input to effectively guide the reverse generation process, without modifying the original denoising diffusion process. However, since the degraded images already include low-frequency information, starting from Gaussian white noise will result in increased sampling steps. We propose Resfusion, a general framework that incorporates the residual term into the diffusion forward process, starting the reverse process directly from the noisy degraded images. The form of our inference process is consistent with the DDPM. We introduced a weighted residual noise, named resnoise, as the prediction target and explicitly provide the quantitative relationship between the residual term and the noise term in resnoise. By leveraging a smooth equivalence transformation, Resfusion determine the optimal acceleration step and maintains the integrity of existing noise schedules, unifying the training and inference processes. The experimental results demonstrate that Resfusion exhibits competitive performance on ISTD dataset, LOL dataset and Raindrop dataset with only five sampling steps. Furthermore, Resfusion can be easily applied to image generation and emerges with strong versatility. Our code and model are available at https://github.com/nkicsl/Resfusion.
Achieving Constant Regret in Linear Markov Decision Processes
Authors: Weitong Zhang, Zhiyuan Fan, Jiafan He, Quanquan Gu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the constant regret guarantees in reinforcement learning (RL). Our objective is to design an algorithm that incurs only finite regret over infinite episodes with high probability. We introduce an algorithm, Cert-LSVI-UCB, for misspecified linear Markov decision processes (MDPs) where both the transition kernel and the reward function can be approximated by some linear function up to misspecification level $\zeta$. At the core of Cert-LSVI-UCB is an innovative certified estimator, which facilitates a fine-grained concentration analysis for multi-phase value-targeted regression, enabling us to establish an instance-dependent regret bound that is constant w.r.t. the number of episodes. Specifically, we demonstrate that for a linear MDP characterized by a minimal suboptimality gap $\Delta$, Cert-LSVI-UCB has a cumulative regret of $\tilde{\mathcal{O}}(d^3H^5/\Delta)$ with high probability, provided that the misspecification level $\zeta$ is below $\tilde{\mathcal{O}}(\Delta / (\sqrt{d}H^2))$. Here $d$ is the dimension of the feature space and $H$ is the horizon. Remarkably, this regret bound is independent of the number of episodes $K$. To the best of our knowledge, Cert-LSVI-UCB is the first algorithm to achieve a constant, instance-dependent, high-probability regret bound in RL with linear function approximation without relying on prior distribution assumptions.
MoGenTS: Motion Generation based on Spatial-Temporal Joint Modeling
Authors: Weihao Yuan, Yisheng He, Weichao Shen, Yuan Dong, Xiaodong Gu, Zilong Dong, Liefeng Bo, Qixing Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Motion generation from discrete quantization offers many advantages over continuous regression, but at the cost of inevitable approximation errors. Previous methods usually quantize the entire body pose into one code, which not only faces the difficulty in encoding all joints within one vector but also loses the spatial relationship between different joints. Differently, in this work we quantize each individual joint into one vector, which i) simplifies the quantization process as the complexity associated with a single joint is markedly lower than that of the entire pose; ii) maintains a spatial-temporal structure that preserves both the spatial relationships among joints and the temporal movement patterns; iii) yields a 2D token map, which enables the application of various 2D operations widely used in 2D images. Grounded in the 2D motion quantization, we build a spatial-temporal modeling framework, where 2D joint VQVAE, temporal-spatial 2D masking technique, and spatial-temporal 2D attention are proposed to take advantage of spatial-temporal signals among the 2D tokens. Extensive experiments demonstrate that our method significantly outperforms previous methods across different datasets, with a $26.6\%$ decrease of FID on HumanML3D and a $29.9\%$ decrease on KIT-ML.
Average gradient outer product as a mechanism for deep neural collapse
Authors: Daniel Beaglehole, Peter Súkeník, Marco Mondelli, Mikhail Belkin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deep Neural Collapse (DNC) refers to the surprisingly rigid structure of the data representations in the final layers of Deep Neural Networks (DNNs). Though the phenomenon has been measured in a variety of settings, its emergence is typically explained via data-agnostic approaches, such as the unconstrained features model. In this work, we introduce a data-dependent setting where DNC forms due to feature learning through the average gradient outer product (AGOP). The AGOP is defined with respect to a learned predictor and is equal to the uncentered covariance matrix of its input-output gradients averaged over the training dataset. Deep Recursive Feature Machines are a method that constructs a neural network by iteratively mapping the data with the AGOP and applying an untrained random feature map. We demonstrate theoretically and empirically that DNC occurs in Deep Recursive Feature Machines as a consequence of the projection with the AGOP matrix computed at each layer. We then provide evidence that this mechanism holds for neural networks more generally. We show that the right singular vectors and values of the weights can be responsible for the majority of within-class variability collapse for DNNs trained in the feature learning regime. As observed in recent work, this singular structure is highly correlated with that of the AGOP.
VastTrack: Vast Category Visual Object Tracking
Authors: Liang Peng, Junyuan Gao, Xinran Liu, Weihong Li, Shaohua Dong, Zhipeng Zhang, Heng Fan, Libo Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: In this paper, we propose a novel benchmark, named VastTrack, aiming to facilitate the development of general visual tracking via encompassing abundant classes and videos. VastTrack consists of a few attractive properties: (1) Vast Object Category. In particular, it covers targets from 2,115 categories, significantly surpassing object classes of existing popular benchmarks (e.g., GOT-10k with 563 classes and LaSOT with 70 categories). Through providing such vast object classes, we expect to learn more general object tracking. (2) Larger scale. Compared with current benchmarks, VastTrack provides 50,610 videos with 4.2 million frames, which makes it to date the largest dataset in term of the number of videos, and hence could benefit training even more powerful visual trackers in the deep learning era. (3) Rich Annotation. Besides conventional bounding box annotations, VastTrack also provides linguistic descriptions with more than 50K sentences for the videos. Such rich annotations of VastTrack enable the development of both vision-only and vision-language tracking. In order to ensure precise annotation, each frame in the videos is manually labeled with multi-stage of careful inspections and refinements. To understand performance of existing trackers and to provide baselines for future comparison, we extensively evaluate 25 representative trackers. The results, not surprisingly, display significant drops compared to those on current datasets due to lack of abundant categories and videos from diverse scenarios for training, and more efforts are urgently required to improve general visual tracking. Our VastTrack, the toolkit, and evaluation results are publicly available at https://github.com/HengLan/VastTrack.
Spectral Adapter: Fine-Tuning in Spectral Space
Authors: Fangzhao Zhang, Mert Pilanci
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent developments in Parameter-Efficient Fine-Tuning (PEFT) methods for pretrained deep neural networks have captured widespread interest. In this work, we study the enhancement of current PEFT methods by incorporating the spectral information of pretrained weight matrices into the fine-tuning procedure. We investigate two spectral adaptation mechanisms, namely additive tuning and orthogonal rotation of the top singular vectors, both are done via first carrying out Singular Value Decomposition (SVD) of pretrained weights and then fine-tuning the top spectral space. We provide a theoretical analysis of spectral fine-tuning and show that our approach improves the rank capacity of low-rank adapters given a fixed trainable parameter budget. We show through extensive experiments that the proposed fine-tuning model enables better parameter efficiency and tuning performance as well as benefits multi-adapter fusion.  The source code will be open-sourced for reproducibility.
Implicit Multimodal Alignment: On the Generalization of Frozen LLMs to Multimodal Inputs
Authors: Mustafa Shukor, Matthieu Cord
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) have demonstrated impressive performance on multimodal tasks, without any multimodal finetuning. They are the de facto building block for Large Multimodal Models (LMMs), yet, we still lack a proper understanding of their success. In this work, we expose frozen LLMs to image, video, audio and text inputs and analyse their internal representation with the attempt to understand their generalization beyond textual inputs. Our work provides the following findings. Perceptual tokens (1) are easily distinguishable from textual ones inside LLMs, with significantly different representations (e.g. live in different narrow cones), and complete translation to textual tokens does not exists. Yet, (2) both perceptual and textual tokens activate similar LLM weights. Despite their differences, (3) perceptual tokens are implicitly aligned to textual tokens inside LLMs, we call this the implicit multimodal alignment effect (IMA), and argue that this is linked to architectural design, helping LLMs to generalize. This provide more evidence to believe that the generalization of LLMs to multimodal inputs is mainly due to their architecture.  These findings lead to several implications. This work provides several implications. (1) We find a positive correlation between the implicit alignment score and the task performance, suggesting that this could act as a proxy metric for model evaluation and selection. (2) A negative correlation exists regarding hallucinations (e.g. describing non-existing objects in images), revealing that this problem is mainly due to misalignment between the internal perceptual and textual representations. (3) Perceptual tokens change slightly throughout the model, thus, we propose different approaches to skip computations (e.g. in FFN layers), and significantly reduce the inference cost. (4) Due to the slowly changing embeddings across layers, and the high overlap between textual and multimodal activated weights, we compress LLMs by keeping only 1 subnetwork (called alpha-SubNet) that works well across a wide range of multimodal tasks. The code is available here: https://github.com/mshukor/ima-lmms.
CONTRAST: Continual Multi-source Adaptation to Dynamic Distributions
Authors: Sk Miraj Ahmed, Fahim Faisal Niloy, Xiangyu Chang, Dripta S. Raychaudhuri, Samet Oymak, Amit K. Roy-Chowdhury
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Adapting to dynamic data distributions is a practical yet challenging task. One effective strategy is to use a model ensemble, which leverages the diverse expertise of different models to transfer knowledge to evolving data distributions. However, this approach faces difficulties when the dynamic test distribution is available only in small batches and without access to the original source data. To address the challenge of adapting to dynamic distributions in such practical settings, we propose continual multi-source adaptation to dynamic distributions (CONTRAST), a novel method that optimally combines multiple source models to adapt to the dynamic test data. CONTRAST has two distinguishing features. First, it efficiently computes the optimal combination weights to combine the source models to adapt to the test data distribution continuously as a function of time. Second, it identifies which of the source model parameters to update so that only the model which is most correlated to the target data is adapted, leaving the less correlated ones untouched; this mitigates the issue of ``forgetting" the source model parameters by focusing only on the source model that exhibits the strongest correlation with the test batch distribution. Through theoretical analysis we show that the proposed method is able to optimally combine the source models and prioritize updates to the model least prone to forgetting. Experimental analysis on diverse datasets demonstrates that the combination of multiple source models does at least as well as the best source (with hindsight knowledge), and performance does not degrade as the test data distribution changes over time (robust to forgetting).
On Causal Discovery in the Presence of Deterministic Relations
Authors: Loka Li, Haoyue Dai, Hanin Al Ghothani, Biwei Huang, Jiji Zhang, Shahar Harel, Isaac Bentwich, Guangyi Chen, Kun Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Many causal discovery methods typically rely on the assumption of independent noise, yet real-life situations often involve deterministic relationships. In these cases, observed variables are represented as deterministic functions of their parental variables without noise.When determinism is present, constraint-based methods encounter challenges due to the violation of the faithfulness assumption. In this paper, we find, supported by both theoretical analysis and empirical evidence, that score-based methods with exact search can naturally address the issues of deterministic relations under rather mild assumptions. Nonetheless, exact score-based methods can be computationally expensive. To enhance the efficiency and scalability, we develop a novel framework for causal discovery that can detect and handle deterministic relations, called Determinism-aware Greedy Equivalent Search (DGES). DGES comprises three phases: (1) identify minimal deterministic clusters (i.e., a minimal set of variables with deterministic relationships), (2) run modified Greedy Equivalent Search (GES) to obtain an initial graph, and (3) perform exact search exclusively on the deterministic cluster and its neighbors. The proposed DGES accommodates both linear and nonlinear causal relationships, as well as both continuous and discrete data types. Furthermore, we investigate the identifiability conditions of DGES. We conducted extensive experiments on both simulated and real-world datasets to show the efficacy of our proposed method.
Expecting The Unexpected: Towards Broad Out-Of-Distribution Detection
Authors: Charles Guille-Escuret, Pierre-André Noël, Ioannis Mitliagkas, David Vazquez, Joao Monteiro
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Deployed machine learning systems require some mechanism to detect out-of-distribution (OOD) inputs. Existing research mainly focuses on one type of distribution shift: detecting samples from novel classes, absent from the training set. However, real-world systems encounter a broad variety of anomalous inputs, and the OOD literature neglects this diversity. This work categorizes five distinct types of distribution shifts and critically evaluates the performance of recent OOD detection methods on each of them. We publicly release our benchmark under the name BROAD (Benchmarking Resilience Over Anomaly Diversity). We find that while these methods excel in detecting novel classes, their performances are inconsistent across other types of distribution shifts. In other words, they can only reliably detect unexpected inputs that they have been specifically designed to expect. As a first step toward broad OOD detection, we learn a Gaussian mixture generative model for existing detection scores, enabling an ensemble detection approach that is more consistent and comprehensive for broad OOD detection, with improved performances over existing methods. We release code to build BROAD to facilitate a more comprehensive evaluation of novel OOD detectors.
Unlocking the Capabilities of Masked Generative Models for Image Synthesis via Self-Guidance
Authors: Jiwan Hur, Dong-Jae Lee, Gyojin Han, Jaehyun Choi, Yunho Jeon, Junmo Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Masked generative models (MGMs) have shown impressive generative ability while providing an order of magnitude efficient sampling steps compared to continuous diffusion models. However, MGMs still underperform in image synthesis compared to recent well-developed continuous diffusion models with similar size in terms of quality and diversity of generated samples. A key factor in the performance of continuous diffusion models stems from the guidance methods, which enhance the sample quality at the expense of diversity. In this paper, we extend these guidance methods to generalized guidance formulation for MGMs and propose a self-guidance sampling method, which leads to better generation quality. The proposed approach leverages an auxiliary task for semantic smoothing in vector-quantized token space, analogous to the Gaussian blur in continuous pixel space. Equipped with the parameter-efficient fine-tuning method and high-temperature sampling, MGMs with the proposed self-guidance achieve a superior quality-diversity trade-off, outperforming existing sampling methods in MGMs with more efficient training and sampling costs. Extensive experiments with the various sampling hyperparameters confirm the effectiveness of the proposed self-guidance.
AutoMix: Automatically Mixing Language Models
Authors: Pranjal Aggarwal, Aman Madaan, Ankit Anand, Srividya Pranavi Potharaju, Swaroop Mishra, Pei Zhou, Aditya Gupta, Dheeraj Rajagopal, Karthik Kappaganthu, Yiming Yang, Shyam Upadhyay, Manaal Faruqui, Mausam
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) are now available from cloud API providers in various sizes and configurations. While this diversity offers a broad spectrum of choices, effectively leveraging the options to optimize computational cost and performance remains challenging. In this work, we present AutoMix, an approach that strategically routes queries to larger LMs, based on the approximate correctness of outputs from a smaller LM. Central to AutoMix are two key technical contributions. First, it has a few-shot self-verification mechanism, which estimates the reliability of its own outputs without requiring extensive training. Second, given that self-verification can be noisy, it employs a POMDP based router that can effectively select an appropriately sized model, based on answer confidence. Experiments across five language models and five challenging datasets show that Automix consistently surpasses strong baselines, reducing computational cost by over 50\% for comparable performance.
VLM4Bio: A Benchmark Dataset to Evaluate Pretrained Vision-Language Models for Trait Discovery from Biological Images
Authors: M. Maruf, Arka Daw, Kazi Sajeed Mehrab, Harish Babu Manogaran, Abhilash Neog, Medha Sawhney, Mridul Khurana, James P. Balhoff, Yasin Bakış, Bahadir Altintas, Matthew J Thompson, Elizabeth G Campolongo, Josef C. Uyeda, Hilmar Lapp, Henry L. Bart Jr., Paula M. Mabee, Yu Su, Wei-Lun Chao, Charles Stewart, Tanya Berger-Wolf, Wasila Dahdul, Anuj Karpatne
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Images are increasingly becoming the currency for documenting biodiversity on the planet, providing novel opportunities for accelerating scientific discoveries in the field of organismal biology, especially with the advent of large vision-language models (VLMs). We ask if pre-trained VLMs can aid scientists in answering a range of biologically relevant questions without any additional fine-tuning. In this paper, we evaluate the effectiveness of $12$ state-of-the-art (SOTA) VLMs in the field of organismal biology using a novel dataset, VLM4Bio, consisting of $469K$ question-answer pairs involving $30K$ images from three groups of organisms: fishes, birds, and butterflies, covering five biologically relevant tasks. We also explore the effects of applying prompting techniques and tests for reasoning hallucination on the performance of VLMs, shedding new light on the capabilities of current SOTA VLMs in answering biologically relevant questions using images.
Paralinguistics-Aware Speech-Empowered Large Language Models for Natural Conversation
Authors: Heeseung Kim, Soonshin Seo, Kyeongseok Jeong, Ohsung Kwon, Soyoon Kim, Jungwhan Kim, Jaehong Lee, Eunwoo Song, Myungwoo Oh, Jung-Woo Ha, Sungroh Yoon, Kang Min Yoo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent work shows promising results in expanding the capabilities of large language models (LLM) to directly understand and synthesize speech. However, an LLM-based strategy for modeling spoken dialogs remains elusive, calling for further investigation. This paper introduces an extensive speech-text LLM framework, the Unified Spoken Dialog Model (USDM), designed to generate coherent spoken responses with naturally occurring prosodic features relevant to the given input speech without relying on explicit automatic speech recognition (ASR) or text-to-speech (TTS) systems. We have verified the inclusion of prosody in speech tokens that predominantly contain semantic information and have used this foundation to construct a prosody-infused speech-text model. Additionally, we propose a generalized speech-text pretraining scheme that enhances the capture of cross-modal semantics. To construct USDM, we fine-tune our speech-text model on spoken dialog data using a multi-step spoken dialog template that stimulates the chain-of-reasoning capabilities exhibited by the underlying LLM. Automatic and human evaluations on the DailyTalk dataset demonstrate that our approach effectively generates natural-sounding spoken responses, surpassing previous and cascaded baselines. Our code and checkpoints are available at https://github.com/naver-ai/usdm.
Bayesian Online Natural Gradient (BONG)
Authors: Matt Jones, Peter Chang, Kevin Murphy
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose a novel approach to  sequential Bayesian inference based on variational Bayes (VB).  The key insight is that,  in the online setting,  we do not need to add the KL term to regularize to the prior (which comes from the posterior at the previous timestep);  instead we can optimize just the expected log-likelihood,  performing a single step of natural gradient descent  starting at the prior predictive.  We prove this method recovers exact Bayesian inference   if the model is conjugate. We also  show how to compute an efficient deterministic  approximation to the VB objective,  as well as our simplified objective, when the variational distribution is Gaussian or a sub-family, including the case of a diagonal plus low-rankprecision matrix.We show empirically that ourmethod outperforms other online VB methods  in the  non-conjugate setting,  such as online learning for neural networks,  especially when controlling for computational costs.
PROSPECT PTMs: Rich Labeled Tandem Mass Spectrometry Dataset of Modified Peptides for Machine Learning in Proteomics
Authors: Wassim Gabriel, Omar Shouman, Ayla Schroeder, Florian Boessl, Mathias Wilhelm
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Post-Translational Modifications (PTMs) are changes that occur in proteins after synthesis, influencing their structure, function, and cellular behavior. PTMs are essential in cell biology; they regulate protein function and stability, are involved in various cellular processes, and are linked to numerous diseases. A particularly interesting class of PTMs are chemical modifications such as phosphorylation introduced on amino acid side chains because they can drastically alter the physicochemical properties of the peptides once they are present. One or more PTMs can be attached to each amino acid of the peptide sequence. The most commonly applied technique to detect PTMs on proteins is bottom-up Mass Spectrometry-based proteomics (MS), where proteins are digested into peptides and subsequently analyzed using Tandem Mass Spectrometry (MS/MS). While an increasing number of machine learning models are published focusing on MS/MS-related property prediction of unmodified peptides, high-quality reference data for modified peptides is missing, impeding model development for this important class of peptides. To enable researchers to train machine learning models that can accurately predict the properties of modified peptides, we introduce four high-quality labeled datasets for applying machine and deep learning to tasks in MS-based proteomics. The four datasets comprise several subgroups of peptides with 1.2 million unique modified peptide sequences and 30 unique pairs of (amino-acid, PTM), covering both experimentally introduced and naturally occurring modifications on various amino acids. We evaluate the utility and importance of the dataset by providing benchmarking results on models trained with and without modifications and highlighting the impact of including modified sequences on downstream tasks. We demonstrate that predicting the properties of modified peptides is more challenging but has a broad impact since they are often the core of protein functionality and its regulation, and they have a potential role as biomarkers in clinical applications. Our datasets contribute to applied machine learning in proteomics by enabling the research community to experiment with methods to encode PTMs as model inputs and to benchmark against reference data for model comparison. With a proper data split for three common tasks in proteomics, we provide a robust way to evaluate model performance and assess generalization on unseen modified sequences.
GREATS: Online Selection of High-Quality Data for LLM Training in Every Iteration
Authors: Jiachen T. Wang, Tong Wu, Dawn Song, Prateek Mittal, Ruoxi Jia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Online batch selection methods offer an adaptive alternative to static training data selection by dynamically selecting data batches during training. However, existing methods either rely on impractical reference models or simple heuristics that may not capture true data informativeness. To address these limitations, we propose \emph{GREedy Approximation Taylor Selection} (GREATS), a principled and efficient online batch selection method that applies greedy algorithm to optimize the data batch quality approximated by Taylor expansion. We develop a series of techniques to scale GREATS to large-scale model training. Extensive experiments with large language models (LLMs) demonstrate that GREATS significantly improves training convergence speed and generalization performance.
CuMo: Scaling Multimodal LLM with Co-Upcycled Mixture-of-Experts
Authors: Jiachen Li, Xinyao Wang, Sijie Zhu, Chia-Wen Kuo, Lu Xu, Fan Chen, Jitesh Jain, Humphrey Shi, Longyin Wen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advancements in Multimodal Large Language Models (LLMs) have focused primarily on scaling by increasing text-image pair data and enhancing LLMs to improve performance on multimodal tasks. However, these scaling approaches are computationally expensive and overlook the significance of efficiently improving model capabilities from the vision side. Inspired by the successful applications of Mixture-of-Experts (MoE) in LLMs, which improves model scalability during training while keeping inference costs similar to those of smaller models, we propose CuMo, which incorporates Co-upcycled Top-K sparsely-gated Mixture-of-experts blocks into both the vision encoder and the MLP connector, thereby enhancing the multimodal LLMs with neglectable additional activated parameters during inference.CuMo first pre-trains the MLP blocks and then initializes each expert in the MoE block from the pre-trained MLP block during the visual instruction tuning stage, with auxiliary losses to ensure a balanced loading of experts.CuMo outperforms state-of-the-art multimodal LLMs across various VQA and visual-instruction-following benchmarks within each model size group, all while training exclusively on open-sourced datasets.
Wormhole Loss for Partial Shape Matching
Authors: Amit Bracha, Thomas Dagès, Ron Kimmel
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When matching parts of a surface to its whole, a fundamental question arises: Which points should be included in the matching process? The issue is intensified when using isometry to measure similarity, as it requires the validation of whether distances measured between pairs of surface points should influence the matching process. The approach we propose treats surfaces as manifolds equipped with geodesic distances, and addresses the partial shape matching challenge by introducing a novel criterion to meticulously search for consistent distances between pairs of points. The new criterion explores the relation between intrinsic geodesic distances between the points, geodesic distances between the points and surface boundaries, and extrinsic distances between boundary points measured in the embedding space. It is shown to be less restrictive compared to previous measures and achieves state-of-the-art results when used as a loss function in training networks for partial shape matching.
Lumina-Next : Making Lumina-T2X Stronger and Faster with Next-DiT
Authors: Le Zhuo, Ruoyi Du, Han Xiao, Yangguang Li, Dongyang Liu, Rongjie Huang, Wenze Liu, Xiangyang Zhu, Fu-Yun Wang, Zhanyu Ma, Xu Luo, Zehan Wang, Kaipeng Zhang, Lirui Zhao, Si Liu, Xiangyu Yue, Wanli Ouyang, Yu Qiao, Hongsheng Li, Peng Gao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Lumina-T2X is a nascent family of Flow-based Large Diffusion Transformers (Flag-DiT) that establishes a unified framework for transforming noise into various modalities, such as images and videos, conditioned on text instructions. Despite its promising capabilities, Lumina-T2X still encounters challenges including training instability, slow inference, and extrapolation artifacts. In this paper, we present Lumina-Next, an improved version of Lumina-T2X, showcasing stronger generation performance with increased training and inference efficiency. We begin with a comprehensive analysis of the Flag-DiT architecture and identify several suboptimal components, which we address by introducing the Next-DiT architecture with 3D RoPE and sandwich normalizations. To enable better resolution extrapolation, we thoroughly compare different context extrapolation methods applied to text-to-image generation with 3D RoPE, and propose Frequency- and Time-Aware Scaled RoPE tailored for diffusion transformers. Additionally, we introduce a sigmoid time discretization schedule for diffusion sampling, which achieves high-quality generation in 5-10 steps combined with higher-order ODE solvers. Thanks to these improvements, Lumina-Next not only improves the basic text-to-image generation but also demonstrates superior resolution extrapolation capabilities as well as multilingual generation using decoder-based LLMs as the text encoder, all in a zero-shot manner. To further validate Lumina-Next as a versatile generative framework, we instantiate it on diverse tasks including visual recognition, multi-views, audio, music, and point cloud generation, showcasing strong performance across these domains. By releasing all codes and model weights at https://github.com/Alpha-VLLM/Lumina-T2X, we aim to advance the development of next-generation generative AI capable of universal modeling.
Vidu4D: Single Generated Video to High-Fidelity 4D Reconstruction with Dynamic Gaussian Surfels
Authors: Yikai Wang, Xinzhou Wang, Zilong Chen, Zhengyi Wang, Fuchun Sun, Jun Zhu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Video generative models are receiving particular attention given their ability to generate realistic and imaginative frames. Besides, these models are also observed to exhibit strong 3D consistency, significantly enhancing their potential to act as world simulators.  In this work, we present Vidu4D, a novel reconstruction model that excels in accurately reconstructing 4D (i.e., sequential 3D) representations from single generated videos, addressing challenges associated with non-rigidity and frame distortion. This capability is pivotal for creating high-fidelity virtual contents that maintain both spatial and temporal coherence. At the core of Vidu4D is our proposed Dynamic Gaussian Surfels (DGS) technique. DGS optimizes time-varying warping functions to transform Gaussian surfels (surface elements) from a static state to a dynamically warped state. This transformation enables a precise depiction of motion and deformation over time. To preserve the structural integrity of surface-aligned Gaussian surfels, we design the warped-state geometric regularization based on continuous warping fields for estimating normals. Additionally, we learn refinements on rotation and scaling parameters of Gaussian surfels, which greatly alleviates texture flickering during the warping process and enhances the capture of fine-grained appearance details. Vidu4D also contains a novel initialization state that provides a proper start for the warping fields in DGS. Equipping Vidu4D with an existing video generative model, the overall framework demonstrates high-fidelity text-to-4D generation in both appearance and geometry.
BackTime: Backdoor Attacks on Multivariate Time Series Forecasting
Authors: Xiao Lin, Zhining Liu, Dongqi Fu, Ruizhong Qiu, Hanghang Tong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Multivariate Time Series (MTS) forecasting is a fundamental task with numerous real-world applications, such as transportation, climate, and epidemiology. While a myriad of powerful deep learning models have been developed for this task, few works have explored the robustness of MTS forecasting models to malicious attacks, which is crucial for their trustworthy employment in high-stake scenarios. To address this gap, we dive deep into the backdoor attacks on MTS forecasting models and propose an effective attack method named BackTime. By subtly injecting a few \textit{stealthy triggers} into the MTS data, BackTime can alter the predictions of the forecasting model according to the attacker's intent. Specifically, BackTime first identifies vulnerable timestamps in the data for poisoning, and then adaptively synthesizes stealthy and effective triggers by solving a bi-level optimization problem with a GNN-based trigger generator. Extensive experiments across multiple datasets and state-of-the-art MTS forecasting models demonstrate the effectiveness, versatility, and stealthiness of BackTime attacks.