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Sharpness-Aware Minimization Activates the Interactive Teaching's Understanding and Optimization

Neural Information Processing Systems

Teaching is a potentially effective approach for understanding interactions among multiple intelligences. Previous explorations have convincingly shown that teaching presents additional opportunities for observation and demonstration within the learning model, such as data distillation and selection. However, the underlying optimization principles and convergence of interactive teaching lack theoretical analysis, and in this regard co-teaching serves as a notable prototype. In this paper, we discuss its role as a reduction of the larger loss landscape derived from Sharpness-Aware Minimization (SAM). Then, we classify it as an iterative parameter estimation process using Expectation-Maximization. The convergence of this typical interactive teaching is achieved by continuously optimizing a variational lower bound on the log marginal likelihood. This lower bound represents the expected value of the log posterior distribution of the latent variables under a scaled, factorized variational distribution. To further enhance interactive teaching's performance, we incorporate SAM's strong generalization information into interactive teaching, referred as Sharpness Reduction Interactive Teaching (SRIT). This integration can be viewed as a novel sequential optimization process.


Learning Bregman Divergences with Application to Robustness

Neural Information Processing Systems

We propose a novel and general method to learn Bregman divergences from raw high-dimensional data that measure similarity between images in pixel space. As a prototypical application, we learn divergences that consider real-world corruptions of images (e.g., blur) as close to the original and noisy perturbations as far, even if in $L^p$-distance the opposite holds. We also show that the learned Bregman divergence excels on datasets of human perceptual similarity judgment, suggesting its utility in a range of applications. We then define adversarial attacks by replacing the projected gradient descent (PGD) with the mirror descent associated with the learned Bregman divergence, and use them to improve the state-of-the-art in robustness through adversarial training for common image corruptions. In particular, for the contrast corruption that was found problematic in prior work we achieve an accuracy that exceeds the $L^p$- and the LPIPS-based adversarially trained neural networks by a margin of 27.16\% on the CIFAR-10-C corruption data set.


PhyloGen: Language Model-Enhanced Phylogenetic Inference via Graph Structure Generation

Neural Information Processing Systems

Phylogenetic trees elucidate evolutionary relationships among species, but phylogenetic inference remains challenging due to the complexity of combining continuous (branch lengths) and discrete parameters (tree topology). Traditional Markov Chain Monte Carlo methods face slow convergence and computational burdens. Existing Variational Inference methods, which require pre-generated topologies and typically treat tree structures and branch lengths independently, may overlook critical sequence features, limiting their accuracy and flexibility. We propose PhyloGen, a novel method leveraging a pre-trained genomic language model to generate and optimize phylogenetic trees without dependence on evolutionary models or aligned sequence constraints. PhyloGen views phylogenetic inference as a conditionally constrained tree structure generation problem, jointly optimizing tree topology and branch lengths through three core modules: (i) Feature Extraction, (ii) PhyloTree Construction, and (iii) PhyloTree Structure Modeling. Meanwhile, we introduce a Scoring Function to guide the model towards a more stable gradient descent. We demonstrate the effectiveness and robustness of PhyloGen on eight real-world benchmark datasets. Visualization results confirm PhyloGen provides deeper insights into phylogenetic relationships.


Equivariant Blurring Diffusion for Hierarchical Molecular Conformer Generation

Neural Information Processing Systems

How can diffusion models process 3D geometries in a coarse-to-fine manner, akin to our multiscale view of the world?In this paper, we address the question by focusing on a fundamental biochemical problem of generating 3D molecular conformers conditioned on molecular graphs in a multiscale manner. Our approach consists of two hierarchical stages: i) generation of coarse-grained fragment-level 3D structure from the molecular graph, and ii) generation of fine atomic details from the coarse-grained approximated structure while allowing the latter to be adjusted simultaneously.For the challenging second stage, which demands preserving coarse-grained information while ensuring SE(3) equivariance, we introduce a novel generative model termed Equivariant Blurring Diffusion (EBD), which defines a forward process that moves towards the fragment-level coarse-grained structure by blurring the fine atomic details of conformers, and a reverse process that performs the opposite operation using equivariant networks.We demonstrate the effectiveness of EBD by geometric and chemical comparison to state-of-the-art denoising diffusion models on a benchmark of drug-like molecules.Ablation studies draw insights on the design of EBD by thoroughly analyzing its architecture, which includes the design of the loss function and the data corruption process.Codes are released at https://github.com/Shen-Lab/EBD.


Compositional 3D-aware Video Generation with LLM Director

Neural Information Processing Systems

Significant progress has been made in text-to-video generation through the use of powerful generative models and large-scale internet data. However, substantial challenges remain in precisely controlling individual elements within the generated video, such as the movement and appearance of specific characters and the manipulation of viewpoints. In this work, we propose a novel paradigm that generates each element in 3D representation separately and then composites them with priors from Large Language Models (LLMs) and 2D diffusion models. Specifically, given an input textual query, our scheme consists of four stages: 1) we leverage the LLMs as the director to first decompose the complex query into several sub-queries, where each sub-query describes each element of the generated video; 2) to generate each element, pre-trained models are invoked by the LLMs to obtain the corresponding 3D representation; 3) to composite the generated 3D representations, we prompt multi-modal LLMs to produce coarse guidance on the scale, location, and trajectory of different objects; 4) to make the results adhere to natural distribution, we further leverage 2D diffusion priors and use score distillation sampling to refine the composition. Extensive experiments demonstrate that our method can generate high-fidelity videos from text with flexible control over each element.


Unveiling LoRA Intrinsic Ranks via Salience Analysis

Neural Information Processing Systems

The immense parameter scale of large language models underscores the necessity for parameter-efficient fine-tuning methods. Methods based on Low-Rank Adaptation (LoRA) assume the low-rank characteristics of the incremental matrix and optimize the matrix obtained from low-rank decomposition. Although effective, these methods are constrained by a fixed and unalterable intrinsic rank, neglecting the variable importance of matrices. Consequently, methods for adaptive rank allocation are proposed, among which AdaLoRA demonstrates excellent fine-tuning performance. AdaLoRA conducts adaptation based on singular value decomposition (SVD), dynamically allocating intrinsic ranks according to importance.


Beyond the Doors of Perception: Vision Transformers Represent Relations Between Objects

Neural Information Processing Systems

Though vision transformers (ViTs) have achieved state-of-the-art performance in a variety of settings, they exhibit surprising failures when performing tasks involving visual relations. This begs the question: how do ViTs attempt to perform tasks that require computing visual relations between objects? Prior efforts to interpret ViTs tend to focus on characterizing relevant low-level visual features. In contrast, we adopt methods from mechanistic interpretability to study the higher-level visual algorithms that ViTs use to perform abstract visual reasoning. We present a case study of a fundamental, yet surprisingly difficult, relational reasoning task: judging whether two visual entities are the same or different. We find that pretrained ViTs fine-tuned on this task often exhibit two qualitatively different stages of processing despite having no obvious inductive biases to do so: 1) a perceptual stage wherein local object features are extracted and stored in a disentangled representation, and 2) a relational stage wherein object representations are compared. In the second stage, we find evidence that ViTs can learn to represent somewhat abstract visual relations, a capability that has long been considered out of reach for artificial neural networks. Finally, we demonstrate that failures at either stage can prevent a model from learning a generalizable solution to our fairly simple tasks.


Nearly Tight Black-Box Auditing of Differentially Private Machine Learning

Neural Information Processing Systems

This paper presents an auditing procedure for the Differentially Private Stochastic Gradient Descent (DP-SGD) algorithm in the black-box threat model that is substantially tighter than prior work.The main intuition is to craft worst-case initial model parameters, as DP-SGD's privacy analysis is agnostic to the choice of the initial model parameters.For models trained on MNIST and CIFAR-10 at theoretical $\varepsilon=10.0$,


Inference of Neural Dynamics Using Switching Recurrent Neural Networks

Neural Information Processing Systems

Neural population activity often exhibits distinct dynamical features across time, which may correspond to distinct internal processes or behavior. Linear methods and variations thereof, such as Hidden Markov Model (HMM) and Switching Linear Dynamical System (SLDS), are often employed to identify discrete states with evolving neural dynamics. However, these techniques may not be able to capture the underlying nonlinear dynamics associated with neural propagation. Recurrent Neural Networks (RNNs) are commonly used to model neural dynamics thanks to their nonlinear characteristics. In our work, we develop Switching Recurrent Neural Networks (SRNN), RNNs with weights that switch across time, to reconstruct switching dynamics of neural time-series data. We apply these models to simulated data as well as cortical neural activity across mice and monkeys, which allows us to automatically detect discrete states that lead to the identification of varying neural dynamics. In a monkey reaching dataset with electrophysiology recordings, a mouse self-initiated lever pull dataset with widefield calcium recordings, and a mouse self-initiated decision making dataset with widefield calcium recording, SRNNs are able to automatically identify discrete states with distinct nonlinear neural dynamics. The inferred switches are aligned with the behavior, and the reconstructions show that the recovered neural dynamics are distinct across different stages of the behavior. We show that the neural dynamics have behaviorally-relevant switches across time and we are able to use SRNNs to successfully capture these switches and the corresponding dynamical features.


FreeLong: Training-Free Long Video Generation with SpectralBlend Temporal Attention

Neural Information Processing Systems

Video diffusion models have made substantial progress in various video generation applications. However, training models for long video generation tasks require significant computational and data resources, posing a challenge to developing long video diffusion models.This paper investigates a straightforward and training-free approach to extend an existing short video diffusion model (e.g.