GenAI4ELab/papercli-papers huggingface dataset:
Large Spatial Model: End-to-end Unposed Images to Semantic 3D
Authors: Zhiwen Fan; Jian Zhang; Wenyan Cong; Peihao Wang; Renjie Li; Kairun Wen; Shijie Zhou; Achuta Kadambi; Zhangyang Wang; Danfei Xu; Boris Ivanovic; Marco Pavone; Yue Wang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Reconstructing and understanding 3D structures from a limited number of images is a classical problem in computer vision. Traditional approaches typically decompose this task into multiple subtasks, involving several stages of complex mappings between different data representations. For example, dense reconstruction using Structure-from-Motion (SfM) requires transforming images into key points, optimizing camera parameters, and estimating structures. Following this, accurate sparse reconstructions are necessary for further dense modeling, which is then input into task-specific neural networks. This multi-stage paradigm leads to significant processing times and engineering complexity.

In this work, we introduce the Large Spatial Model (LSM), which directly processes unposed RGB images into semantic radiance fields. LSM simultaneously estimates geometry, appearance, and semantics in a single feed-forward pass and can synthesize versatile label maps by interacting through language at novel views. Built on a general Transformer-based framework, LSM predicts global geometry via pixel-aligned point maps. To improve spatial attribute regression, we adopt local context aggregation with multi-scale fusion, enhancing the accuracy of fine local details. To address the scarcity of labeled 3D semantic data and enable natural language-driven scene manipulation, we incorporate a pre-trained 2D language-based segmentation model into a 3D-consistent semantic feature field. An efficient decoder parameterizes a set of semantic anisotropic Gaussians, allowing supervised end-to-end learning. Comprehensive experiments on various tasks demonstrate that LSM unifies multiple 3D vision tasks directly from unposed images, achieving real-time semantic 3D reconstruction for the first time.
LightGaussian: Unbounded 3D Gaussian Compression with 15x Reduction and 200+ FPS
Authors: Zhiwen Fan; Kevin Wang; Kairun Wen; Zehao Zhu; Dejia Xu; Zhangyang Wang
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Recent advances in real-time neural rendering using point-based techniques have enabled broader adoption of 3D representations. However, foundational approaches like 3D Gaussian Splatting impose substantial storage overhead, as Structure-from-Motion (SfM) points can grow to millions, often requiring gigabyte-level disk space for a single unbounded scene. This growth presents scalability challenges and hinders splatting efficiency. To address this, we introduce LightGaussian, a method for transforming 3D Gaussians into a more compact format. Inspired by Network Pruning, LightGaussian identifies Gaussians with minimal global significance on scene reconstruction, and applies a pruning and recovery process to reduce redundancy while preserving visual quality. Knowledge distillation and pseudo-view augmentation then transfer spherical harmonic coefficients to a lower degree, yielding compact representations. Gaussian Vector Quantization, based on each Gaussian’s global significance, further lowers bitwidth with minimal accuracy loss. LightGaussian achieves an average 15 times compression rate while boosting FPS from 144 to 237 within the 3D-GS framework, enabling efficient complex scene representation on the Mip-NeRF 360 and Tank & Temple datasets. The proposed Gaussian pruning approach is also adaptable to other 3D representations (e.g., Scaffold-GS), demonstrating strong generalization capabilities.
Partial observation can induce mechanistic mismatches in data-constrained models of neural dynamics
Authors: William Qian; Jacob A Zavatone-Veth; Benjamin Samuel Ruben; Cengiz Pehlevan
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: One of the central goals of neuroscience is to gain a mechanistic understanding of how the dynamics of neural circuits give rise to their observed function. A popular approach towards this end is to train recurrent neural networks (RNNs) to reproduce experimental recordings of neural activity. These trained RNNs are then treated as surrogate models of biological neural circuits, whose properties can be dissected via dynamical systems analysis. How reliable are the mechanistic insights derived from this procedure? While recent advances in population-level recording technologies have allowed simultaneous recording of up to tens of thousands of neurons, this represents only a tiny fraction of most cortical circuits. Here we show that observing only a subset of neurons in a circuit can create mechanistic mismatches between a simulated teacher network and a data-constrained student, even when the two networks have matching single-unit dynamics. In particular, we show that partial observation of models of low-dimensional cortical dynamics based on functionally feedforward or low-rank connectivity can lead to surrogate models with spurious attractor structure. In total, our results illustrate the challenges inherent in accurately uncovering neural mechanisms from single-trial data, and suggest the need for new methods of validating data-constrained models for neural dynamics.
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
Authors: Siyi Gu; Minkai Xu; Alexander S Powers; Weili Nie; Tomas Geffner; Karsten Kreis; Jure Leskovec; Arash Vahdat; Stefano Ermon
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion models, have shown great promise in modeling protein-ligand interactions and generating candidate drugs. However, existing models primarily focus on learning the chemical distribution of all drug candidates, which lacks effective steerability on the chemical quality of model generations. In this paper, we propose a novel and general alignment framework to align pretrained target diffusion models with preferred functional properties, named AliDiff. AliDiff shifts the target-conditioned chemical distribution towards regions with higher binding affinity and structural rationality, specified by user-defined reward functions, via the preference optimization approach. To avoid the overfitting problem in common preference optimization objectives, we further develop an improved Exact Energy Preference Optimization method to yield an exact and efficient alignment of the diffusion models, and provide the closed-form expression for the converged distribution. Empirical studies on the CrossDocked2020 benchmark show that AliDiff can generate molecules with state-of-the-art binding energies with up to -7.07 Avg. Vina Score, while maintaining strong molecular properties. Code is available at https://github.com/MinkaiXu/AliDiff.
Stepwise Alignment for Constrained Language Model Policy Optimization
Authors: Akifumi Wachi; Thien Q. Tran; Rei Sato; Takumi Tanabe; Youhei Akimoto
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Safety and trustworthiness are indispensable requirements for real-world applications of AI systems using large language models (LLMs). This paper formulates human value alignment as an optimization problem of the language model policy to maximize reward under a safety constraint, and then proposes an algorithm, Stepwise Alignment for Constrained Policy Optimization (SACPO). One key idea behind SACPO, supported by theory, is that the optimal policy incorporating reward and safety can be directly obtained from a reward-aligned policy. Building on this key idea, SACPO aligns LLMs step-wise with each metric while leveraging simple yet powerful alignment algorithms such as direct preference optimization (DPO). SACPO offers several advantages, including simplicity, stability, computational efficiency, and flexibility of algorithms and datasets. Under mild assumptions, our theoretical analysis provides the upper bounds on optimality and safety constraint violation. Our experimental results show that SACPO can fine-tune Alpaca-7B better than the state-of-the-art method in terms of both helpfulness and harmlessness.
Towards Flexible Visual Relationship Segmentation
Authors: Fangrui Zhu; Jianwei Yang; Huaizu Jiang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Visual relationship understanding has been studied separately in human-object interaction(HOI) detection, scene graph generation(SGG),  and referring relationships(RR) tasks. 
Given the complexity and interconnectedness of these tasks, it is crucial to have a flexible framework that can effectively address these tasks in a cohesive manner.
In this work, we propose FleVRS, a single model that seamlessly integrates the above three aspects in standard and promptable visual relationship segmentation, and further possesses the capability for open-vocabulary segmentation to adapt to novel scenarios. 
FleVRS leverages the synergy between text and image modalities, 
to ground various types of relationships from images and use textual features from vision-language models to visual conceptual understanding.
Empirical validation across various datasets demonstrates that our framework outperforms existing models in standard, promptable, and open-vocabulary tasks, e.g., +1.9 $mAP$ on HICO-DET, +11.4 $Acc$ on VRD,  +4.7 $mAP$ on unseen HICO-DET.
Our FleVRS represents a significant step towards a more intuitive, comprehensive, and scalable understanding of visual relationships.
Implicit Optimization Bias of Next-token Prediction in Linear Models
Authors: Christos Thrampoulidis
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We initiate an investigation into the optimization properties of next-token prediction (NTP), the dominant training paradigm for modern language models. Specifically, we study the structural properties of the solutions selected by gradient-based optimizers among the many possible minimizers of the NTP objective. By framing NTP as cross-entropy minimization  across \emph{distinct} contexts, each tied with a \emph{sparse}  conditional probability distribution across a finite vocabulary of tokens, we introduce ``NTP-separability conditions'' that enable reaching the data-entropy lower bound. With this setup, and focusing on linear models with fixed context embeddings, we characterize the optimization bias of gradient descent (GD): Within the data subspace defined by the sparsity patterns of distinct contexts, GD selects parameters that equate the logits' differences of in-support tokens to their log-odds. In the orthogonal subspace, the GD parameters diverge in norm and select the direction that maximizes a margin specific to NTP. These findings extend previous research on implicit bias in one-hot classification to the NTP setting, highlighting key differences and prompting further research into the optimization and generalization properties of NTP, irrespective of the specific architecture used to generate the context embeddings.
Proximal Causal Inference With Text Data
Authors: Jacob M. Chen; Rohit Bhattacharya; Katherine A. Keith
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Recent text-based causal methods attempt to mitigate confounding bias by estimating proxies of confounding variables that are partially or imperfectly measured from unstructured text data. These approaches, however, assume analysts have supervised labels of the confounders given text for a subset of instances, a constraint that is sometimes infeasible due to data privacy or annotation costs. In this work, we address settings in which an important confounding variable is completely unobserved. We propose a new causal inference method that uses two instances of pre-treatment text data, infers two proxies using two zero-shot models on the separate instances, and applies these proxies in the proximal g-formula. We prove, under certain assumptions about the instances of text and accuracy of the zero-shot predictions, that our method of inferring text-based proxies satisfies identification conditions of the proximal g-formula while other seemingly reasonable proposals do not. To address untestable assumptions associated with our method and the proximal g-formula, we further propose an odds ratio falsification heuristic that flags when to proceed with downstream effect estimation using the inferred proxies. We evaluate our method in synthetic and semi-synthetic settings---the latter with real-world clinical notes from MIMIC-III and open large language models for zero-shot prediction---and find that our method produces estimates with low bias. We believe that this text-based design of proxies allows for the use of proximal causal inference in a wider range of scenarios, particularly those for which obtaining suitable proxies from structured data is difficult.
DDGS-CT: Direction-Disentangled Gaussian Splatting for Realistic Volume Rendering
Authors: Zhongpai Gao; Benjamin Planche; Meng Zheng; Xiao Chen; Terrence Chen; Ziyan Wu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Digitally reconstructed radiographs (DRRs) are simulated 2D X-ray images generated from 3D CT volumes, widely used in preoperative settings but limited in intraoperative applications due to computational bottlenecks. Physics-based Monte Carlo simulations provide accurate representations but are extremely computationally intensity. Analytical DRR renderers are much more efficient, but at the price of ignoring anisotropic X-ray image formation phenomena such as Compton scattering. We propose a novel approach that balances realistic physics-inspired X-ray simulation with efficient, differentiable DRR generation using 3D Gaussian splatting (3DGS). Our direction-disentangled 3DGS (DDGS) method decomposes the radiosity contribution into isotropic and direction-dependent components, able to approximate complex anisotropic interactions without complex runtime simulations. Additionally, we adapt the 3DGS initialization to account for tomography data properties, enhancing accuracy and efficiency. Our method outperforms state-of-the-art techniques in image accuracy and inference speed, demonstrating its potential for intraoperative applications and inverse problems like pose registration.
Nuclear Norm Regularization for Deep Learning
Authors: Christopher Scarvelis; Justin Solomon
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its SVD. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions $f = g \circ h$, one may equivalently penalize the average squared Frobenius norm of $Jg$ and $Jh$. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.
ECMamba: Consolidating Selective State Space Model with Retinex Guidance for Efficient Multiple Exposure Correction
Authors: Wei Dong; Han Zhou; Yulun Zhang; Xiaohong Liu; Jun Chen
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: 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}.
Interpreting and Analysing CLIP's Zero-Shot Image Classification via Mutual Knowledge
Authors: Fawaz Sammani; Nikos Deligiannis
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Contrastive Language-Image Pretraining (CLIP) performs zero-shot image classification by mapping images and textual class representation into a shared embedding space, then retrieving the class closest to the image. This work provides a new approach for interpreting CLIP models for image classification from the lens of mutual knowledge between the two modalities. Specifically, we ask: what concepts do both vision and language CLIP encoders learn in common that influence the joint embedding space, causing points to be closer or further apart? We answer this question via an approach of textual concept-based explanations, showing their effectiveness, and perform an analysis encompassing a pool of 13 CLIP models varying in architecture, size and pretraining datasets. We explore those different aspects in relation to mutual knowledge, and analyze zero-shot predictions. Our approach demonstrates an effective and human-friendly way of understanding zero-shot classification decisions with CLIP.
Sm: enhanced localization in Multiple Instance Learning for medical imaging classification
Authors: Francisco M Castro-Macías; Pablo Morales-Alvarez; Yunan Wu; Rafael Molina; Aggelos Katsaggelos
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Multiple Instance Learning (MIL) is widely used in medical imaging classification to reduce the labeling effort. 
While only bag labels are available for training, one typically seeks predictions at both bag and instance levels (classification and localization tasks, respectively). Early MIL methods treated the instances in a bag independently. Recent methods account for global and local dependencies among instances. Although they have yielded excellent results in classification, their performance in terms of localization is comparatively limited. We argue that these models have been designed to target the classification task, while implications at the instance level have not been deeply investigated. Motivated by a simple observation -- that neighboring instances are likely to have the same label -- we propose a novel, principled, and flexible mechanism to model local dependencies. It can be used alone or combined with any mechanism to model global dependencies (e.g., transformers). A thorough empirical validation shows that our module leads to state-of-the-art performance in localization while being competitive or superior in classification. Our code is at https://github.com/Franblueee/SmMIL.
Can neural operators always be continuously discretized?
Authors: Takashi Furuya; Michael Anthony Puthawala; Matti Lassas; Maarten V. de Hoop
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: In this work we consider the problem of discretization of neural operators in a general setting. Using category theory, we give a no-go theorem that shows that diffeomorphisms between Hilbert spaces may not admit any continuous approximations by diffeomorphisms on finite spaces, even if the discretization is non-linear. This shows how infinite-dimensional Hilbert spaces and finite-dimensional vector spaces fundamentally differ. A key take-away is that to obtain discretization invariance, considerable effort is needed to ensure that finite-dimensional approximations of neural operator converge not only as sequences of functions, but that their representations converge in a suitable sense as well. With this perspective, we give several positive results. We first show that strongly monotone diffeomorphism operators always admit finite-dimensional strongly monotone diffeomorphisms. Next we show that bilipschitz neural operators may always be written via the repeated alternating composition of strongly monotone neural operators and invertible linear maps. We also show that such operators may be inverted locally via iteration provided that such inverse exists. Finally, we conclude by showing how our framework may be used `out of the box' to prove quantitative approximation results for discretization of neural operators.
Return of Unconditional Generation: A Self-supervised Representation Generation Method
Authors: Tianhong Li; Dina Katabi; Kaiming He
Venue: NeurIPS 2024 (NeurIPS 2024 oral)

Abstract: Unconditional generation -- the problem of modeling data distribution without relying on human-annotated labels -- is a long-standing and fundamental challenge in generative models, creating a potential of learning from large-scale unlabeled data. In the literature, the generation quality of an unconditional method has been much worse than that of its conditional counterpart. This gap can be attributed to the lack of semantic information provided by labels. In this work, we show that one can close this gap by generating semantic representations in the representation space produced by a self-supervised encoder. These representations can be used to condition the image generator. This framework, called Representation-Conditioned Generation (RCG), provides an effective solution to the unconditional generation problem without using labels. Through comprehensive experiments, we observe that RCG significantly improves unconditional generation quality: e.g., it achieves a new state-of-the-art FID of 2.15 on ImageNet 256x256, largely reducing the previous best of 5.91 by a relative 64%. Our unconditional results are situated in the same tier as the leading class-conditional ones. We hope these encouraging observations will attract the community's attention to the fundamental problem of unconditional generation. Code is available at [https://github.com/LTH14/rcg](https://github.com/LTH14/rcg).