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Applications · Neuroscience, Cognitive Science

Antonis Antoniades, Yiyi Yu, Joe Canzano, William Wang, Spencer Smith

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the analysis of large-scale, cellular-resolution neuronal spiking data into an auto-regressive spatiotemporal generation problem. Neuroformer is a multimodal, multitask generative pre-trained transformer (GPT) model that is specifically designed to handle the intricacies of data in systems neuroscience. It scales linearly with feature size, can process an arbitrary number of modalities, and is adaptable to downstream tasks, such as predicting behavior. We first trained Neuroformer on simulated datasets, and found that it both accurately predicted simulated neuronal circuit activity, and also intrinsically inferred the underlying neural circuit connectivity, including direction. When pretrained to decode neural responses, the model predicted the behavior of a mouse with only few-shot fine-tuning, suggesting that the model begins learning how to do so directly from the neural representations themselves, without any explicit supervision. We used an ablation study to show that joint training on neuronal responses and behavior boosted performance, highlighting the model's ability to associate behavioral and neural representations in an unsupervised manner. These findings show that Neuroformer can analyze neural datasets and their emergent properties, informing the development of models and hypotheses associated with the brain.

Deep Learning · Other Representation Learning

Joo Chan Lee, Daniel Rho, Seungtae Nam, Jong Hwan Ko, Eunbyung Park

Neural fields, mapping low-dimensional input coordinates to corresponding signals, have shown promising results in representing various signals. Numerous methodologies have been proposed, and techniques employing MLPs and grid representations have achieved substantial success. MLPs allow compact and high expressibility, yet often suffer from spectral bias and slow convergence speed. On the other hand, methods using grids are free from spectral bias and achieve fast training speed, however, at the expense of high spatial complexity. In this work, we propose a novel way for exploiting both MLPs and grid representations in neural fields. Unlike the prevalent methods that combine them sequentially (extract features from the grids first and feed them to the MLP), we inject spectral bias-free grid representations into the intermediate features in the MLP. More specifically, we suggest a Coordinate-Aware Modulation (CAM), which modulates the intermediate features using scale and shift parameters extracted from the grid representations. This can maintain the strengths of MLPs while mitigating any remaining potential biases, facilitating the rapid learning of high-frequency components. In addition, we empirically found that the feature normalizations, which have not been successful in neural filed literature, proved to be effective when applied in conjunction with the proposed CAM. Experimental results demonstrate that CAM enhances the performance of neural representation and improves learning stability across a range of signals. Especially in the novel view synthesis task, we achieved state-of-the-art performance with the least number of parameters and fast training speed for dynamic scenes and the best performance under 1MB memory for static scenes. CAM also outperforms the best-performing video compression methods using neural fields by a large margin. Our project page is available at https://maincold2.github.io/cam/.

Shanqi Liu, Dong Xing, Pengjie Gu, Xinrun Wang, Bo An, Yong Liu

Cooperative multi-agent reinforcement learning (MARL) is extensively used for solving complex cooperative tasks, and value decomposition methods are a prevalent approach for this domain. However, these methods have not been successful in addressing both homogeneous and heterogeneous tasks simultaneously which is a crucial aspect for the practical application of cooperative agents. On one hand, value decomposition methods demonstrate superior performance in homogeneous tasks. Nevertheless, they tend to produce agents with similar policies, which is unsuitable for heterogeneous tasks. On the other hand, solutions based on personalized observation or assigned roles are well-suited for heterogeneous tasks. However, they often lead to a trade-off situation where the agent's performance in homogeneous scenarios is negatively affected due to the aggregation of distinct policies. An alternative approach is to adopt sequential execution policies, which offer a flexible form for learning both types of tasks. However, learning sequential execution policies poses challenges in terms of credit assignment, and the limited information about subsequently executed agents can lead to sub-optimal solutions, which is known as the relative over-generalization problem. To tackle these issues, this paper proposes Greedy Sequential Execution (GSE) as a solution to learn the optimal policy that covers both scenarios. In the proposed GSE framework, we introduce an individual utility function into the framework of value decomposition to consider the complex interactions between agents. This function is capable of representing both the homogeneous and heterogeneous optimal policies. Furthermore, we utilize greedy marginal contribution calculated by the utility function as the credit value of the sequential execution policy to address the credit assignment and relative over-generalization problem. We evaluated GSE in both homogeneous and heterogeneous scenarios. The results demonstrate that GSE achieves significant improvement in performance across multiple domains, especially in scenarios involving both homogeneous and heterogeneous tasks.

Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Xiong Zhou, Xianming Liu, Hao Yu, Jialiang Wang, Zeke Xie, Junjun Jiang, Xiangyang Ji

Graph-based semi-supervised learning, particularly in the context of extremely sparse labeled data, often suffers from degenerate solutions where label functions tend to be nearly constant across unlabeled data. In this paper, we introduce Variance-enlarged Poisson Learning (VPL), a simple yet powerful framework tailored to alleviate the issues arising from the presence of degenerate solutions. VPL incorporates a variance-enlarged regularization term, which induces a Poisson equation specifically for unlabeled data. This intuitive approach increases the dispersion of labels from their average mean, effectively reducing the likelihood of degenerate solutions characterized by nearly constant label functions. We subsequently introduce two streamlined algorithms, V-Laplace and V-Poisson, each intricately designed to enhance Laplace and Poisson learning, respectively. Furthermore, we broaden the scope of VPL to encompass graph neural networks, introducing Variance-enlarged Graph Poisson Networks (V-GPN) to facilitate improved label propagation. To achieve a deeper understanding of VPL's behavior, we conduct a comprehensive theoretical exploration in both discrete and variational cases. Our findings elucidate that VPL inherently amplifies the importance of connections within the same class while concurrently tempering those between different classes. We support our claims with extensive experiments, demonstrating the effectiveness of VPL and showcasing its superiority over existing methods. The code is available at https://github.com/hitcszx/VPL.

Applications · Computer Vision

Xindi Yang, Zeke Xie, Xiong Zhou, Boyu Liu, Buhua Liu, Yi Liu, Haoran Wang, YUNFENG CAI, Mingming Sun

Neural field methods have seen great progress in various long-standing tasks in computer vision and computer graphics, including novel view synthesis and geometry reconstruction. As existing neural field methods try to predict some coordinate-based continuous target values, such as RGB for Neural Radiance Field (NeRF), all of these methods are regression models and are optimized by some regression loss. However, are regression models really better than classification models for neural field methods? In this work, we try to visit this very fundamental but overlooked question for neural fields from a machine learning perspective. We successfully propose a novel Neural Field Classifier (NFC) framework which formulates existing neural field methods as classification tasks rather than regression tasks. The proposed NFC can easily transform arbitrary Neural Field Regressor (NFR) into its classification variant via employing a novel Target Encoding module and optimizing a classification loss. By encoding a continuous regression target into a high-dimensional discrete encoding, we naturally formulate a multi-label classification task. Extensive experiments demonstrate the impressive effectiveness of NFC at the nearly free extra computational costs. Moreover, NFC also shows robustness to sparse inputs, corrupted images, and dynamic scenes.

Deep Learning · Self-Supervised Learning

Xiong Zhou, Xianming Liu, feilong zhang, Gang Wu, Deming Zhai, Junjun Jiang, Xiangyang Ji

Contrastive learning has emerged as a popular paradigm of self-supervised learning that learns representations by encouraging representations of positive pairs to be similar while representations of negative pairs to be far apart. The spectral contrastive loss, in synergy with the notion of positive-pair graphs, offers valuable theoretical insights into the empirical successes of contrastive learning. In this paper, we propose incorporating an additive factor into the term of spectral contrastive loss involving negative pairs. This simple modification can be equivalently viewed as introducing a regularization term that enforces the mean of representations to be zero, which thus is referred to as *zero-mean regularization*. It intuitively relaxes the orthogonality of representations between negative pairs and implicitly alleviates the adverse effect of wrong connections in the positive-pair graph, leading to better performance and robustness. To clarify this, we thoroughly investigate the role of zero-mean regularized spectral contrastive loss in both unsupervised and supervised scenarios with respect to theoretical analysis and quantitative evaluation. These results highlight the potential of zero-mean regularized spectral contrastive learning to be a promising approach in various tasks.

Applications

Fuxiao Liu, Kevin Lin, Linjie Li, Jianfeng Wang, Yaser Yacoob, Lijuan Wang

Despite the promising progress in multi-modal tasks, current large multi-modal models (LMMs) are prone to hallucinating inconsistent descriptions with respect to the associated image and human instructions. This paper addresses this issue by introducing the first large and diverse visual instruction tuning dataset, named Large-scale Robust Visual (LRV)-Instruction. Our dataset comprises 400k visualinstructions generated by GPT4, covering 16 vision-and-language tasks with open-ended instructions and answers. Unlike existing studies that primarily focus on positive instruction samples, we design LRV-Instruction to include both positive and negative instructions for more robust visual instruction tuning. Our negative instructions are designed at three semantic levels: (i) Nonexistent Object Manipulation, (ii) Existent Object Manipulation and (iii) Knowledge Manipulation. To efficiently measure the hallucination generated by LMMs, we propose GPT4-Assisted Visual Instruction Evaluation (GAVIE), a stable approach to evaluate visual instruction tuning like human experts. GAVIE does not require human-annotated groundtruth answers and can adapt to diverse instruction formats. We conduct comprehensive experiments to investigate the hallucination of LMMs. Our results demonstrate existing LMMs exhibit significant hallucinations when presented with our negative instructions, particularly Existent Object and Knowledge Manipulation instructions. Moreover, we successfully mitigate hallucination by finetuning MiniGPT4 and mPLUG-Owl on LRV-Instruction while improving performance on several publicdatasets compared to state-of-the-art methods. Additionally, we observed that a balanced ratio of positive and negative instances in the training data leads to a more robust model. Code and data will be released upon publication.

Deep Learning · Generative Models and Autoencoders

Pascal Chang, Jingwei Tang, Markus Gross, Vinicius Da Costa De Azevedo

Video editing and generation methods often rely on pre-trained image-based diffusion models. During the diffusion process, however, the reliance on rudimentary noise sampling techniques that do not preserve correlations present in subsequent frames of a video is detrimental to the quality of the results. This either produces high-frequency flickering, or texture-sticking artifacts that are not amenable to post-processing. With this in mind, we propose a novel method for preserving temporal correlations in a sequence of noise samples. This approach is materialized by a novel noise representation, dubbed $\int$-noise (integral noise), that reinterprets individual noise samples as a continuously integrated noise field: pixel values do not represent discrete values, but are rather the integral of an underlying infinite-resolution noise over the pixel area. Additionally, we propose a carefully tailored transport method that uses $\int$-noise to accurately advect noise samples over a sequence of frames, maximizing the correlation between different frames while also preserving the noise properties. Our results demonstrate that the proposed $\int$-noise can be used for a variety of tasks, such as video restoration, surrogate rendering, and conditional video generation.

Social Aspects

Charlotte Nicks, Eric Mitchell, Rafael Rafailov, Archit Sharma, Christopher Manning, Chelsea Finn, Stefano Ermon

The fluency and general applicability of large language models (LLMs) has motivated significant interest in detecting whether a piece of text was written by a language model. While both academic and commercial detectors have been deployed in some settings, particularly education, other research has highlighted the fragility of these systems. In this paper, we demonstrate a data-efficient attack that fine-tunes language models to confuse existing detectors, leveraging recent developments in reinforcement learning of language models. We use the `human-ness' score (often just a log probability) of various open-source and commercial detectors as a reward function for reinforcement learning, subject to a KL-divergence constraint that the resulting model does not differ significantly from the original. For a 7B parameter Llama-2 model, fine-tuning for under a day reduces the AUROC of the OpenAI RoBERTa-Large detector from 0.84 to 0.63, while perplexity on OpenWebText increases from 8.7 to only 9.0; with a larger perplexity budget, we can drive AUROC to 0.30 (worse than random). Similar to traditional adversarial attacks, we find that this increase in 'detector evasion' generalizes to other detectors not used during training. In light of our empirical results, we advise against continued reliance on LLM-generated text detectors. Models, datasets, and selected experiment code will be released at https://github.com/charlottttee/llm-detector-evasion.

Deep Learning · Algorithms

Arijit Sehanobish, Krzysztof Choromanski, YUNFAN ZHAO, Kumar Dubey, Valerii Likhosherstov

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

Deep Learning · Graph Neural Networks

Haoyu Han, Xiaorui Liu, Li Ma, MohamadAli Torkamani, Hui Liu, Jiliang Tang, Makoto Yamada

Graph Neural Networks (GNNs) have seen significant achievements in semi-supervised node classification. Yet, their efficacy often hinges on access to high-quality labeled node samples, which may not always be available in real-world scenarios. While active learning is commonly employed across various domains to pinpoint and label high-quality samples based on data features, graph data present unique challenges due to their intrinsic structures that render nodes non-i.i.d. Furthermore, biases emerge from the positioning of labeled nodes; for instance, nodes closer to the labeled counterparts often yield better performance. To better leverage graph structure and mitigate structural bias in active learning, we present a unified optimization framework (SCARCE), which is also easily incorporated with node features. Extensive experiments demonstrate that the proposed method not only improves the GNNs performance but also paves the way for more fair results.

Theory · Probabilistic Methods

Wenwen Si, Sangdon Park, Insup Lee, Edgar Dobriban, Osbert Bastani

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting, where the probabilities of labels can differ between the source and target distributions. Our algorithm relies on constructing confidence intervals for importance weights by propagating uncertainty through a Gaussian elimination algorithm. We evaluate our approach on four datasets: the CIFAR-10 and ChestX-Ray image datasets, the tabular CDC Heart Dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller prediction set sizes compared to several baselines.

Reinforcement Learning · Batch/Offline

Wenhao Li

Temporal abstraction and efficient planning pose significant challenges in offline reinforcement learning, mainly when dealing with domains that involve temporally extended tasks and delayed sparse rewards. Existing methods typically plan in the raw action space and can be inefficient and inflexible. Latent action spaces offer a more flexible approach, capturing only possible actions within the behavior policy support and decoupling the temporal structure between planning and modeling. However, current latent-action-based methods are limited to discrete spaces and require expensive planning steps. This paper presents a unified framework for continuous latent action space representation learning and planning by leveraging latent, score-based diffusion models. We establish the theoretical equivalence between planning in the latent action space and energy-guided sampling with a pretrained diffusion model and introduce a novel sequence-level exact sampling method. Our proposed method, $\texttt{LatentDiffuser}$, demonstrates competitive performance on low-dimensional locomotion control tasks and surpasses existing methods in higher-dimensional tasks.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Zikai Xiao, Zihan Chen, Liyinglan Liu, YANG FENG, Joey Tianyi Zhou, Jian Wu, Wanlu Liu, Howard Yang, Zuozhu Liu

Federated Long-Tailed Learning (Fed-LT), a paradigm wherein data collected from decentralized local clients manifests a globally prevalent long-tailed distribution, has garnered considerable attention in recent times. In the context of Fed-LT, existing works have predominantly centered on addressing the data imbalance issue to enhance the efficacy of the generic global model while neglecting the performance at the local level. In contrast, conventional Personalized Federated Learning (pFL) techniques are primarily devised to optimize personalized local models under the presumption of a balanced global data distribution. This paper introduces an approach termed Federated Local and Generic Model Training in Fed-LT (FedLoGe), which enhances both local and generic model performance through the integration of representation learning and classifier alignment within a neural collapse framework. Our investigation reveals the feasibility of employing a shared backbone as a foundational framework for capturing overarching global trends, while concurrently employing individualized classifiers to encapsulate distinct refinements stemming from each client’s local features. Building upon this discovery, we establish the Static Sparse Equiangular Tight Frame Classifier (SSE-C), inspired by neural collapse principles that naturally prune extraneous noisy features and foster the acquisition of potent data representations. Furthermore, leveraging insights from imbalance neural collapse's classifier norm patterns, we develop Global and Local Adaptive Feature Realignment (GLA-FR) via an auxiliary global classifier and personalized Euclidean norm transfer to align global features with client preferences. Extensive experimental results on CIFAR-10/100-LT, ImageNet, and iNaturalist demonstrate the advantage of our method over state-of-the-art pFL and Fed-LT approaches.

Reinforcement Learning

Hongpeng Cao, Yanbing Mao, Lui Sha, Marco Caccamo

This paper proposes the Phy-DRL: a physics-regulated deep reinforcement learning (DRL) framework for safety-critical autonomous systems. The Phy-DRL has three distinguished invariant-embedding designs: i) residual action policy (i.e., integrating data-driven-DRL action policy and physics-model-based action policy), ii) automatically constructed safety-embedded reward, and iii) physics-model-guided neural network (NN) editing, including link editing and activation editing. Theoretically, the Phy-DRL exhibits 1) a mathematically provable safety guarantee and 2) strict compliance of critic and actor networks with physics knowledge about the action-value function and action policy. Finally, we evaluate the Phy-DRL on a cart-pole system and a quadruped robot. The experiments validate our theoretical results and demonstrate that Phy-DRL features guaranteed safety compared to purely data-driven DRL and solely model-based design while offering remarkably fewer learning parameters and fast training towards safety guarantee.

Deep Learning · Algorithms

Zibin Dong, Yifu Yuan, Jianye HAO, Fei Ni, Yao Mu, YAN ZHENG, Yujing Hu, Tangjie Lv, Changjie Fan, Zhipeng Hu

Aligning agent behaviors with diverse human preferences remains a challenging problem in reinforcement learning (RL), owing to the inherent abstractness and mutability of human preferences. To address these issues, we propose AlignDiff, a novel framework that leverages RLHF to quantify human preferences, covering abstractness, and utilizes them to guide diffusion planning for zero-shot behavior customizing, covering mutability. AlignDiff can accurately match user-customized behaviors and efficiently switch from one to another. To build the framework, we first establish the multi-perspective human feedback datasets, which contain comparisons for the attributes of diverse behaviors, and then train an attribute strength model to predict quantified relative strengths. After relabeling behavioral datasets with relative strengths, we proceed to train an attribute-conditioned diffusion model, which serves as a planner with the attribute strength model as a director for preference aligning at the inference phase. We evaluate AlignDiff on various locomotion tasks and demonstrate its superior performance on preference matching, switching, and covering compared to other baselines. Its capability of completing unseen downstream tasks under human instructions also showcases the promising potential for human-AI collaboration. More visualization videos are released on https://aligndiff.github.io/.

Deep Learning · Large Language Models

Tianyang Liu, Canwen Xu, Julian McAuley

Large Language Models (LLMs) have greatly advanced code auto-completion systems, with a potential for substantial productivity enhancements for developers. However, current benchmarks mainly focus on single-file tasks, leaving an assessment gap for more complex, real-world, multi-file programming scenarios. To fill this gap, we introduce RepoBench, a new benchmark specifically designed for evaluating repository-level code auto-completion systems. RepoBench consists of three interconnected evaluation tasks: RepoBench-R (Retrieval), RepoBench-C (Code Completion), and RepoBench-P (Pipeline). Each task respectively measures the system's ability to retrieve the most relevant code snippets from other files as cross-file context, predict the next line of code with cross-file and in-file context, and handle complex tasks that require a combination of both retrieval and next-line prediction. RepoBench aims to facilitate a more complete comparison of performance and encouraging continuous improvement in auto-completion systems. RepoBench is actively maintained with the latest code, serving as a live benchmark publicly available at https://github.com/Leolty/repobench.

Applications · Physics

Marten Lienen, David Lüdke, Jan Hansen-Palmus, Stephan Günnemann

Simulations of turbulent flows in 3D are one of the most expensive simulations in computational fluid dynamics (CFD). Many works have been written on surrogate models to replace numerical solvers for fluid flows with faster, learned, autoregressive models. However, the intricacies of turbulence in three dimensions necessitate training these models with very small time steps, while generating realistic flow states requires either long roll-outs with many steps and significant error accumulation or starting from a known, realistic flow state—something we aimed to avoid in the first place. Instead, we propose to approach turbulent flow simulation as a generative task directly learning the manifold of all possible turbulent flow states without relying on any initial flow state. For our experiments, we introduce a challenging 3D turbulence dataset of high-resolution flows and detailed vortex structures caused by various objects and derive two novel sample evaluation metrics for turbulent flows. On this dataset, we show that our generative model captures the distribution of turbulent flows caused by unseen objects and generates high-quality, realistic samples amenable for downstream applications without access to any initial state.

Applications · Neuroscience, Cognitive Science

Chaoming Wang, Tianqiu Zhang, Sichao He, Hongyaoxing Gu, Shangyang Li, Si Wu

Brain simulation builds dynamical models to mimic the structure and functions of the brain, while brain-inspired computing (BIC) develops intelligent systems by learning from the structure and functions of the brain. The two fields are intertwined and should share a common programming framework to facilitate each other's development. However, none of the existing software in the fields can achieve this goal, because traditional brain simulators lack differentiability for training, while existing deep learning (DL) frameworks fail to capture the biophysical realism and complexity of brain dynamics. In this paper, we introduce BrainPy, a differentiable brain simulator developed using JAX and XLA, with the aim of bridging the gap between brain simulation and BIC. BrainPy expands upon the functionalities of JAX, a powerful AI framework, by introducing complete capabilities for flexible, efficient, and scalable brain simulation. It offers a range of sparse and event-driven operators for efficient and scalable brain simulation, an abstraction for managing the intricacies of synaptic computations, a modular and flexible interface for constructing multi-scale brain models, and an object-oriented just-in-time compilation approach to handle the memory-intensive nature of brain dynamics. We showcase the efficiency and scalability of BrainPy on benchmark tasks, and highlight its differentiable simulation for biologically plausible spiking models.

Deep Learning · Graph Neural Networks

Hyunjin Seo, Jihun Yun, Eunho Yang

Since the pioneering work on the lottery ticket hypothesis for graph neural networks (GNNs) was proposed in Chen et al. (2021), the study on finding graph lottery tickets (GLT) has become one of the pivotal focus in the GNN community, inspiring researchers to discover sparser GLT while achieving comparable performance to original dense networks. In parallel, the graph structure has gained substantial attention as a crucial factor in GNN training dynamics, also elucidated by several recent studies. Despite this, contemporary studies on GLT, in general, have not fully exploited inherent pathways in the graph structure and identified tickets in an iterative manner, which is time-consuming and inefficient. To address these limitations, we introduce **TEDDY**, a one-shot edge sparsification framework that leverages structural information by incorporating *edge-degree* statistics. Following the edge sparsification, we encourage the parameter sparsity during training via simple projected gradient descent on the $\ell_0$ ball. Given the target sparsity levels for both the graph structure and the model parameters, our TEDDY facilitates efficient and rapid realization of GLT within a *single* training. Remarkably, our experimental results demonstrate that TEDDY significantly surpasses conventional iterative approaches in generalization, even when conducting one-shot sparsification that solely utilizes graph structures, without taking feature information into account.