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Physical Models

Masahito Uwamichi, Simon Schnyder, Tetsuya J. Kobayashi, Satoshi Sawai

Analyzing the motion of multiple biological agents, be it cells or individual animals, is pivotal for the understanding of complex collective behaviors. With the advent of advanced microscopy, detailed images of complex tissue formations involving multiple cell types have become more accessible in recent years. However, deciphering the underlying rules that govern cell movements is far from trivial. Here, we present a novel deep learning framework for estimating the underlying equations of motion from observed trajectories, a pivotal step in decoding such complex dynamics. Our framework integrates graph neural networks with neural differential equations, enabling effective prediction of two-body interactions based on the states of the interacting entities. We demonstrate the efficacy of our approach through two numerical experiments. First, we used simulated data from a toy model to tune the hyperparameters. Based on the obtained hyperparameters, we then applied this approach to a more complex model with non-reciprocal forces that mimic the collective dynamics of the cells of slime molds. Our results show that the proposed method can accurately estimate the functional forms of two-body interactions -- even when they are nonreciprocal -- thereby precisely replicating both individual and collective behaviors within these systems.

Neuroscience, Cognitive Science

Yuki Minai, Joana Soldado-Magraner, Matthew Smith, Byron M Yu

Brain stimulation has the potential to create desired neural population activity states. However, it is challenging to search the large space of stimulation parameters, for example, selecting which subset of electrodes to be used for stimulation. In this scenario, creating a model that maps the configuration of stimulation parameters to the brain’s response can be beneficial. Training such an expansive model usually requires more stimulation-response samples than can be collected in a given experimental session. Furthermore, changes in the properties of the recorded activity over time can make it challenging to merge stimulation-response samples across sessions. To address these challenges, we propose MiSO (MicroStimulation Optimization), a closed-loop stimulation framework to drive neural population activity toward specified states by optimizing over a large stimulation parameter space. MiSO consists of three key components: 1) a neural activity alignment method to merge stimulation-response samples across sessions, 2) a statistical model trained on the merged samples to predict the brain's response to untested stimulation parameter configurations, and 3) an online optimization algorithm to adaptively update the stimulation parameter configuration based on the model's predictions. In this study, we implemented MiSO with a factor analysis (FA) based alignment method, a convolutional neural network (CNN), and an epsilon greedy optimization algorithm. We tested MiSO in closed-loop experiments using electrical microstimulation in the prefrontal cortex of a non-human primate. Guided by the CNN predictions, MiSO successfully searched amongst thousands of stimulation parameter configurations to drive the neural population activity toward specified states. More broadly, MiSO increases the clinical viability of neuromodulation technologies by enabling the use of many-fold larger stimulation parameter spaces.

Computer Vision

Wei Dong, Han Zhou, Yulun Zhang, Xiaohong Liu, Jun Chen

Exposure Correction (EC) aims to recover proper exposure conditions for images captured under over-exposure or under-exposure scenarios. While existing deep learning models have shown promising results, few have fully embedded Retinex theory into their architecture, highlighting a gap in current methodologies. Additionally, the balance between high performance and efficiency remains an under-explored problem for exposure correction task. Inspired by Mamba which demonstrates powerful and highly efficient sequence modeling, we introduce a novel framework based on \textbf{Mamba} for \textbf{E}xposure \textbf{C}orrection (\textbf{ECMamba}) with dual pathways, each dedicated to the restoration of reflectance and illumination map, respectively. Specifically, we firstly derive the Retinex theory and we train a Retinex estimator capable of mapping inputs into two intermediary spaces, each approximating the target reflectance and illumination map, respectively. This setup facilitates the refined restoration process of the subsequent \textbf{E}xposure \textbf{C}orrection \textbf{M}amba \textbf{M}odule (\textbf{ECMM}). Moreover, we develop a novel \textbf{2D S}elective \textbf{S}tate-space layer guided by \textbf{Retinex} information (\textbf{Retinex-SS2D}) as the core operator of \textbf{ECMM}. This architecture incorporates an innovative 2D scanning strategy based on deformable feature aggregation, thereby enhancing both efficiency and effectiveness. Extensive experiment results and comprehensive ablation studies demonstrate the outstanding performance and the importance of each component of our proposed ECMamba. Code is available at \url{https://github.com/LowlevelAI/ECMamba}.

Optimization · Large Scale, Parallel and Distributed

Bo Liu, Lemeng Wu, Lizhang Chen, Kaizhao Liang, Jiaxu Zhu, Chen Liang, Raghuraman Krishnamoorthi, Qiang Liu

The Lion optimizer has been a promising competitor with the AdamW for training large AI models, with advantages in memory, computation, and sample efficiency. In this paper, we introduce Distributed Lion, an innovative adaptation of Lion for distributed training environments. Leveraging the sign operator in Lion, our Distributed Lion only requires to communicate binary or lower-precision vectorsbetween workers to the center server, significantly reducing the communication cost. Our theoretical analysis confirms Distributed Lion's convergence properties. Empirical results demonstrate its robustness across a range of tasks, worker counts, and batch sizes, on both vision and language problems. Notably, Distributed Lion attains comparable performance to standard Lion or AdamW optimizers applied on aggregated gradients, but with significantly reduced communication bandwidth. This feature is particularly advantageous for training large models. In addition, we also demonstrate that \mavolion{} presents a more favorable performance-bandwidth balance compared to existing efficient distributed methods such as deep gradient compression and ternary gradients.

Trustworthy Machine Learning

Anay Mehrotra, Manolis Zampetakis, Paul Kassianik, Blaine Nelson, Hyrum Anderson, Yaron Singer, Amin Karbasi

While Large Language Models (LLMs) display versatile functionality, they continue to generate harmful, biased, and toxic content, as demonstrated by the prevalence of human-designed *jailbreaks*. In this work, we present *Tree of Attacks with Pruning* (TAP), an automated method for generating jailbreaks that only requires black-box access to the target LLM. TAP utilizes an attacker LLM to iteratively refine candidate (attack) prompts until one of the refined prompts jailbreaks the target. In addition, before sending prompts to the target, TAP assesses them and prunes the ones unlikely to result in jailbreaks, reducing the number of queries sent to the target LLM. In empirical evaluations, we observe that TAP generates prompts that jailbreak state-of-the-art LLMs (including GPT4-Turbo and GPT4o) for more than 80% of the prompts. This significantly improves upon the previous state-of-the-art black-box methods for generating jailbreaks while using a smaller number of queries than them. Furthermore, TAP is also capable of jailbreaking LLMs protected by state-of-the-art *guardrails*, e.g., LlamaGuard.

Neuroscience, Cognitive Science

Yamin Li, Ange Lou, Ziyuan Xu, Shengchao Zhang, Shiyu Wang, Dario Englot, Soheil Kolouri, Daniel Moyer, Roza Bayrak, Catie Chang

Functional magnetic resonance imaging (fMRI) is an indispensable tool in modern neuroscience, providing a non-invasive window into whole-brain dynamics at millimeter-scale spatial resolution. However, fMRI is constrained by issues such as high operation costs and immobility. With the rapid advancements in cross-modality synthesis and brain decoding, the use of deep neural networks has emerged as a promising solution for inferring whole-brain, high-resolution fMRI features directly from electroencephalography (EEG), a more widely accessible and portable neuroimaging modality. Nonetheless, the complex projection from neural activity to fMRI hemodynamic responses and the spatial ambiguity of EEG pose substantial challenges both in modeling and interpretability. Relatively few studies to date have developed approaches for EEG-fMRI translation, and although they have made significant strides, the inference of fMRI signals in a given study has been limited to a small set of brain areas and to a single condition (i.e., either resting-state or a specific task). The capability to predict fMRI signals in other brain areas, as well as to generalize across conditions, remain critical gaps in the field. To tackle these challenges, we introduce a novel and generalizable framework: NeuroBOLT, i.e., Neuro-to-BOLD Transformer, which leverages multi-dimensional representation learning from temporal, spatial, and spectral domains to translate raw EEG data to the corresponding fMRI activity signals across the brain. Our experiments demonstrate that NeuroBOLT effectively reconstructs unseen resting-state fMRI signals from primary sensory, high-level cognitive areas, and deep subcortical brain regions, achieving state-of-the-art accuracy with the potential to generalize across varying conditions and sites, which significantly advances the integration of these two modalities.

Firas Trabelsi, David Vilar, Mara Finkelstein, Markus Freitag

Minimum Bayes Risk (MBR) decoding is a powerful decoding strategy widely used for text generation tasks but its quadratic computational complexity limits its practical application. This paper presents a novel approach for approximating MBR decoding using matrix completion techniques, focusing on a machine translation task. We formulate MBR decoding as a matrix completion problem, where the utility metric scores between candidate hypotheses and reference translations form a low-rank matrix. First we empirically show that the scores matrices indeed have a low-rank structure. Then we exploit this by only computing a random subset of the scores and efficiently recover the missing entries in the matrix by applying the Alternating Least Squares (ALS) algorithm, thereby enabling fast approximation of the MBR decoding process. Our experimental results on machine translation tasks demonstrate that the proposed method requires 1/16 utility metric computations compared to the vanilla MBR decoding while achieving equal translation quality measured by COMET on the WMT22 dataset (en<>de, en<>ru). We also benchmark our method against other approximation methods and we show significant gains in quality.

Generative Models · Diffusion models

Yi-Chung Chen, Zhi-Kai Huang, Jing-Ren Chen

Quantization of diffusion models has attracted considerable attention due to its potential to enable various applications on resource-constrained mobile devices. However, given the cumulative nature of quantization errors in quantized diffusion models, overall performance may still decline even with efforts to minimize quantization error at each sampling step.Recent studies have proposed several methods to address accumulated quantization error, yet these solutions often suffer from limited applicability due to their underlying assumptions or only partially resolve the issue due to an incomplete understanding.In this work, we introduce a novel perspective by conceptualizing quantization error as a "stepback" in the denoising process. We investigate how the accumulation of quantization error can distort the sampling trajectory, resulting in a notable decrease in model performance. To address this challenge, we introduce StepbaQ, a method that calibrates the sampling trajectory and counteracts the adverse effects of accumulated quantization error through a sampling step correction mechanism. Notably, StepbaQ relies solely on statistics of quantization error derived from a small calibration dataset, highlighting its strong applicability.Our experimental results demonstrate that StepbaQ can serve as a plug-and-play technique to enhance the performance of diffusion models quantized by off-the-shelf tools without modifying the quantization settings. For example, StepbaQ significantly improves the performance of the quantized SD v1.5 model by 7.30 in terms of FID on SDprompts dataset under the common W8A8 setting, and it enhances the performance of the quantized SDXL-Turbo model by 17.31 in terms of FID on SDprompts dataset under the challenging W4A8 setting.

Trustworthy Machine Learning

Giorgio Piatti, Zhijing Jin, Max Kleiman-Weiner, Bernhard Schölkopf, Mrinmaya Sachan, Rada Mihalcea

As AI systems pervade human life, ensuring that large language models (LLMs) make safe decisions remains a significant challenge. We introduce the Governance of the Commons Simulation (GovSim), a generative simulation platform designed to study strategic interactions and cooperative decision-making in LLMs. In GovSim, a society of AI agents must collectively balance exploiting a common resource with sustaining it for future use. This environment enables the study of how ethical considerations, strategic planning, and negotiation skills impact cooperative outcomes. We develop an LLM-based agent architecture and test it with the leading open and closed LLMs. We find that all but the most powerful LLM agents fail to achieve a sustainable equilibrium in GovSim, with the highest survival rate below 54%. Ablations reveal that successful multi-agent communication between agents is critical for achieving cooperation in these cases. Furthermore, our analyses show that the failure to achieve sustainable cooperation in most LLMs stems from their inability to formulate and analyze hypotheses about the long-term effects of their actions on the equilibrium of the group. Finally, we show that agents that leverage "Universalization"-based reasoning, a theory of moral thinking, are able to achieve significantly better sustainability. Taken together, GovSim enables us to study the mechanisms that underlie sustainable self-government with specificity and scale. We open source the full suite of our research results, including the simulation environment, agent prompts, and a comprehensive web interface.

Jiaxin Shi, Kehang Han, Zhe Wang, Arnaud Doucet, Michalis Titsias

Masked (or absorbing) diffusion is actively explored as an alternative to autoregressive models for generative modeling of discrete data. However, existing work in this area has been hindered by unnecessarily complex model formulations and unclear relationships between different perspectives, leading to suboptimal parameterization, training objectives, and ad hoc adjustments to counteract these issues. In this work, we aim to provide a simple and general framework that unlocks the full potential of masked diffusion models. We show that the continuous-time variational objective of masked diffusion models is a simple weighted integral of cross-entropy losses. Our framework also enables training generalized masked diffusion models with state-dependent masking schedules. When evaluated by perplexity, our models trained on OpenWebText surpass prior diffusion language models at GPT-2 scale and demonstrate superior performance on 4 out of 5 zero-shot language modeling tasks. Furthermore, our models vastly outperform previous discrete diffusion models on pixel-level image modeling, achieving 2.75 (CIFAR-10) and 3.40 (ImageNet 64x64) bits per dimension that are better than autoregressive models of similar sizes.

Deep Learning · Attention Mechanisms

Xinyi Wu, Amir Ajorlou, Yifei Wang, Stefanie Jegelka, Ali Jadbabaie

Self-attention is the key mechanism of transformers, which are the essential building blocks of modern foundation models. Recent studies have shown that pure self-attention suffers from an increasing degree of rank collapse as depth increases, limiting model expressivity and further utilization of model depth. The existing literature on rank collapse, however, has mostly overlooked other critical components in transformers that may alleviate the rank collapse issue. In this paper, we provide a general analysis of rank collapse under self-attention, taking into account the effects of attention masks and layer normalization (LayerNorm). In particular, we find that although pure masked attention still suffers from exponential collapse to a rank one subspace, sparse or local masked attention can provably slow down the collapse rate. In the case of self-attention with LayerNorm, we first show that for certain classes of value matrices, collapse to a rank one subspace still happens exponentially. However, through construction of nontrivial counterexamples, we then establish that with proper choice of value matrices, a general class of sequences may not converge to a rank one subspace, and the self-attention dynamics with LayerNorm can simultaneously possess a rich set of equilibria with any possible rank between one and full. Our result refutes the previous hypothesis that LayerNorm plays no role in the rank collapse of self-attention and suggests that self-attention with LayerNorm constitutes a much more expressive, versatile nonlinear dynamical system than what was originally thought.

Yiqi Zhong, Luming Liang, Bohan Tang, Ilya Zharkov, Ulrich Neumann

We introduce motion graph, a novel approach to address the video prediction problem, i.e., predicting future video frames from limited past data. The motion graph transforms patches of video frames into interconnected graph nodes, to comprehensively describe the spatial-temporal relationships among them. This representation overcomes the limitations of existing motion representations such as image differences, optical flow, and motion matrix that either fall short in capturing complex motion patterns or suffer from excessive memory consumption. We further present a video prediction pipeline empowered by motion graph, exhibiting substantial performance improvements and cost reductions. Extensive experiments on various datasets, including UCF Sports, KITTI and Cityscapes, highlight the strong representative ability of motion graph. Especially on UCF Sports, our method matches and outperforms the SOTA methods with a significant reduction in model size by 78% and a substantial decrease in GPU memory utilization by 47%.

Computer Vision · Stereo

Chengwei Ren, Yifan Feng, Weixiang Zhang, Xiao-Ping (Steven) Zhang, Yue Gao

We study the problem of retrieving accurate correspondence through multi-scale consistency (MSC) for robust point cloud registration. Existing works in a coarse-to-fine manner either suffer from severe noisy correspondences caused by unreliable coarse matching or struggle to form outlier-free coarse-level correspondence sets. To tackle this, we present Hierarchical Sinkhorn Tree (HST), a pruned tree structure designed to hierarchically measure the local consistency of each coarse correspondence across multiple feature scales, thereby filtering out the local dissimilar ones. In this way, we convert the modeling of MSC for each correspondence into a BFS traversal with pruning of a K-ary tree rooted at the superpoint, with its K nearest neighbors in the feature pyramid serving as child nodes. To achieve efficient pruning and accurate vicinity characterization, we further propose a novel overlap-aware Sinkhorn Distance, which retains only the most likely overlapping points for local measurement and next level exploration. The modeling process essentially involves traversing a pair of HSTs synchronously and aggregating the consistency measures of corresponding tree nodes. Extensive experiments demonstrate HST consistently outperforms the state-of-the-art methods on both indoor and outdoor benchmarks.

Reinforcement Learning · Everything Else

Calvin Luo, Mandy He, Zilai Zeng, Chen Sun

Training an agent to achieve particular goals or perform desired behaviors is often accomplished through reinforcement learning, especially in the absence of expert demonstrations. However, supporting novel goals or behaviors through reinforcement learning requires the ad-hoc design of appropriate reward functions, which quickly becomes intractable. To address this challenge, we propose Text-Aware Diffusion for Policy Learning (TADPoLe), which uses a pretrained, frozen text-conditioned diffusion model to compute dense zero-shot reward signals for text-aligned policy learning. We hypothesize that large-scale pretrained generative models encode rich priors that can supervise a policy to behave not only in a text-aligned manner, but also in alignment with a notion of naturalness summarized from internet-scale training data. In our experiments, we demonstrate that TADPoLe is able to learn policies for novel goal-achievement and continuous locomotion behaviors specified by natural language, in both Humanoid and Dog environments. The behaviors are learned zero-shot without ground-truth rewards or expert demonstrations, and are qualitatively more natural according to human evaluation. We further show that TADPoLe performs competitively when applied to robotic manipulation tasks in the Meta-World environment, without having access to any in-domain demonstrations.

Computer Vision

Mijeong Kim, Jongwoo Lim, Bohyung Han

Novel view synthesis of dynamic scenes is becoming important in various applications, including augmented and virtual reality.We propose a novel 4D Gaussian Splatting (4DGS) algorithm for dynamic scenes from casually recorded monocular videos. To overcome the overfitting problem of existing work for these real-world videos, we introduce an uncertainty-aware regularization that identifies uncertain regions with few observations and selectively imposes additional priors based on diffusion models and depth smoothness on such regions.This approach improves both the performance of novel view synthesis and the quality of training image reconstruction. We also identify the initialization problem of 4DGS in fast-moving dynamic regions, where the Structure from Motion (SfM) algorithm fails to provide reliable 3D landmarks. To initialize Gaussian primitives in such regions, we present a dynamic region densification method using the estimated depth maps and scene flow. Our experiments show that the proposed method improves the performance of 4DGS reconstruction from a video captured by a handheld monocular camera and also exhibits promising results in few-shot static scene reconstruction.

Elvis Dohmatob, Yunzhen Feng, Julia Kempe

The era of proliferation of large language and image generation models begs the question of what happens if models are trained on the synthesized outputs of other models. The phenomenon of "model collapse" refers to the situation whereby as a model is trained recursively on data generated from previous generations of itself over time, its performance degrades until the model eventually becomes completely useless, i.e. the model collapses. In this work, we investigate this phenomenon within the context of high-dimensional regression with Gaussian data, considering both low- and high-dimensional asymptotics. We derive analytical formulas that quantitatively describe this phenomenon in both under-parameterized and over-parameterized regimes. We show how test error increases linearly in the number of model iterations in terms of all problem hyperparameters (covariance spectrum, regularization, label noise level, dataset size) and further isolate how model collapse affects both bias and variance terms in our setup. We show that even in the noise-free case, catastrophic (exponentially fast) model-collapse can happen in the over-parametrized regime. In the special case of polynomial decaying spectral and source conditions, we obtain modified scaling laws which exhibit new crossover phenomena from fast to slow rates. We also propose a simple strategy based on adaptive regularization to mitigate model collapse. Our theoretical results are validated with experiments.

Causality

Sergio Garrido Mejia, Patrick Blöbaum, Bernhard Schölkopf, Dominik Janzing

We study the differences arising from merging predictors in the causal and anticausal directions using the same data.In particular we study the asymmetries that arise in a simple model where we merge the predictors using one binary variable as target and two continuous variables as predictors.We use Causal Maximum Entropy (CMAXENT) as inductive bias to merge the predictors, however, we expect similar differences to hold also when we use other merging methods that take into account asymmetries between cause and effect.We show that if we observe all bivariate distributions, the CMAXENT solution reduces to a logistic regression in the causal direction and Linear Discriminant Analysis (LDA) in the anticausal direction.Furthermore, we study how the decision boundaries of these two solutions differ whenever we observe only some of the bivariate distributions implications for Out-Of-Variable (OOV) generalisation.

Reinforcement Learning · Function Approximation

Guhao Feng, Han Zhong

Reinforcement Learning (RL) encompasses diverse paradigms, including model-based RL, policy-based RL, and value-based RL, each tailored to approximate the model, optimal policy, and optimal value function, respectively. This work investigates the potential hierarchy of representation complexity among these RL paradigms. By utilizing computational complexity measures, including time complexity and circuit complexity, we theoretically unveil a potential representation complexity hierarchy within RL. We find that representing the model emerges as the easiest task, followed by the optimal policy, while representing the optimal value function presents the most intricate challenge. Additionally, we reaffirm this hierarchy from the perspective of the expressiveness of Multi-Layer Perceptrons (MLPs), which align more closely with practical deep RL and contribute to a completely new perspective in theoretical studying representation complexity in RL. Finally, we conduct deep RL experiments to validate our theoretical findings.

Generative Models · Diffusion models

Yuseung Lee, Taehoon Yoon, Minhyuk Sung

We introduce GrounDiT, a novel training-free spatial grounding technique for text-to-image generation using Diffusion Transformers (DiT). Spatial grounding with bounding boxes has gained attention for its simplicity and versatility, allowing for enhanced user control in image generation. However, prior training-free approaches often rely on updating the noisy image during the reverse diffusion process via backpropagation from custom loss functions, which frequently struggle to provide precise control over individual bounding boxes. In this work, we leverage the flexibility of the Transformer architecture, demonstrating that DiT can generate noisy patches corresponding to each bounding box, fully encoding the target object and allowing for fine-grained control over each region. Our approach builds on an intriguing property of DiT, which we refer to as semantic sharing. Due to semantic sharing, when a smaller patch is jointly denoised alongside a generatable-size image, the two become semantic clones. Each patch is denoised in its own branch of the generation process and then transplanted into the corresponding region of the original noisy image at each timestep, resulting in robust spatial grounding for each bounding box. In our experiments on the HRS and DrawBench benchmarks, we achieve state-of-the-art performance compared to previous training-free approaches. Project Page: https://groundit-diffusion.github.io/.

Generative Models

Regev Cohen, Idan Kligvasser, Ehud Rivlin, Daniel Freedman

The pursuit of high perceptual quality in image restoration has driven the development of revolutionary generative models, capable of producing results often visually indistinguishable from real data.However, as their perceptual quality continues to improve, these models also exhibit a growing tendency to generate hallucinations – realistic-looking details that do not exist in the ground truth images.Hallucinations in these models create uncertainty about their reliability, raising major concerns about their practical application.This paper investigates this phenomenon through the lens of information theory, revealing a fundamental tradeoff between uncertainty and perception. We rigorously analyze the relationship between these two factors, proving that the global minimal uncertainty in generative models grows in tandem with perception. In particular, we define the inherent uncertainty of the restoration problem and show that attaining perfect perceptual quality entails at least twice this uncertainty. Additionally, we establish a relation between distortion, uncertainty and perception, through which we prove the aforementioned uncertainly-perception tradeoff induces the well-known perception-distortion tradeoff.We demonstrate our theoretical findings through experiments with super-resolution and inpainting algorithms.This work uncovers fundamental limitations of generative models in achieving both high perceptual quality and reliable predictions for image restoration. Thus, we aim to raise awareness among practitioners about this inherent tradeoff, empowering them to make informed decisions and potentially prioritize safety over perceptual performance.