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 Deep Learning


QSCA: Quantization with Self-Compensating Auxiliary for Monocular Depth Estimation

Neural Information Processing Systems

Monocular depth estimation has advanced significantly with foundation models like Depth Anything, leveraging large-scale transformer architectures for the superior generalization. However, the deployment on resource-constrained devices remains challenging due to the high computation and memory requirement. Existing quantization methods, such as post-training quantization (PTQ) and quantization-aware training (QAT), often face trade-offs between efficiency and accuracy, or require extensive labeled data for retraining. To address these limitations, we propose Quantization with Self-Compensating Auxiliary for Monocular Depth Estimation (QSCA), a novel framework for 4-bit post-training quantization of Monocular depth estimation models. Our method integrates a lightweight Self-Compensating Auxiliary (SCA) module into both transformer encoder and decoder blocks, enabling the quantized model to recover from performance degradation without requiring ground truth. This design enables fast adaptation while preserving structural and spatial consistency in predicted depth maps. To our knowledge, this is the first framework to successfully apply 4-bit quantization across all layers of large-scale monocular depth estimation models. Experimental results demonstrate that QSCA significantly improves quantized depth estimation performance. On the NYUv2 dataset, it achieves an 11% improvement in ฮด1 accuracy over existing post-training quantization methods.


2cd9c51775dd5a338b3f6dcc7aa73140-Paper-Conference.pdf

Neural Information Processing Systems

Molecular Relational Learning (MRL) is a rapidly growing field that focuses on understanding the interaction dynamics between molecules, which is crucial for applications ranging from catalyst engineering to drug discovery. Despite recent progress, ture of molecules, earlier MRL as obtaining approaches the are 3D limited interaction to using geometry only the remains 2D topological prohibiti strucvely expensive. This paper introduces a novel 3D geometric pre-training strategy for MRL (3DMRL) that incorporates a 3D virtual interaction environment, overcoming the the constructe limitations d of 3D costly virtual tradit interaction ional quantum environment, mechanical 3DMRL calculation trains 2D methods. MRL model With to learn the global and local 3D geometric information of molecular interaction. Extensive experiments on various tasks using real-world datasets, including out-ofdistribution and extrapolation scenarios, demonstrate the effectiveness of 3DMRL, sho publicly wing a up vailable to a 24.93% at https://github.com/



Hamiltonian Neural PDESolvers through Functional Approximation

Neural Information Processing Systems

Designing neural networks within a Hamiltonian framework offers a principled way to ensure that conservation laws are respected in physical systems. While promising, these capabilities have been largely limited to discrete, analytically solvable systems. In contrast, many physical phenomena are governed by PDEs, which govern infinite-dimensional fields through Hamiltonian functionals and their functional derivatives. Building on prior work, we represent the Hamiltonian functional as a kernel integral parameterized by a neural field, enabling learnable function-to-scalar mappings and the use of automatic differentiation to calculate functional derivatives. This allows for an extension of Hamiltonian mechanics to neural PDE solvers by predicting a functional and learning in the gradient domain. We show that the resulting Hamiltonian Neural Solver (HNS) can be an effective surrogate model through improved stability and conserving energy-like quantities across 1D and 2DPDEs. This ability to respect conservation laws also allows HNS models to better generalize to longer time horizons or unseen initial conditions.


Alignment of Large Language Models with Constrained Learning

Neural Information Processing Systems

We study the problem of computing an optimal large language model (LLM) policy for the constrained alignment problem, where the goal is to maximize a primary reward objective while satisfying constraints on secondary utilities. Despite the popularity of Lagrangian-based LLM policy search in constrained alignment, iterative primal-dual methods often fail to converge, and non-iterative dual-based methods do not achieve optimality in the LLM parameter space. To address these challenges, we employ Lagrangian duality to develop an iterative dual-based alignment method that alternates between updating the LLM policy via Lagrangian maximization and updating the dual variable via dual descent. In theory, we characterize the primal-dual gap between the primal value in the distribution space and the dual value in the LLM parameter space. We further quantify the optimality gap of the learned LLM policies at near-optimal dual variables with respect to both the objective and the constraint functions. These results prove that dual-based alignment methods can find an optimal constrained LLM policy, up to an LLM parametrization gap. We demonstrate the effectiveness and merits of our approach through extensive experiments conducted on the PKU-SafeRLHF and Anthropic HH-RLHF datasets.


VL-Rethinker: Incentivizing Self-Reflection of Vision-Language Models with Reinforcement Learning

Neural Information Processing Systems

Recently, slow-thinking systems like GPT-o1 and DeepSeek-R1 have demonstrated great potential in solving challenging problems through explicit reflection. They significantly outperform the best fast-thinking models, such as GPT-4o, on various math and science benchmarks. However, their multimodal reasoning capabilities remain on par with fast-thinking models. For instance, GPT-o1's performance on benchmarks like MathVista, MathVerse, and MathVision is similar to fast-thinking models. In this paper, we showcase how to enhance the slow-thinking capabilities of vision-language models using reinforcement learning, to advance the state of the art, without relying on costly distillation. First, we adapt the GRPO algorithm with a novel technique called Selective Sample Replay (SSR) to address the vanishing advantages problem.


Meta Guidance: Incorporating Inductive Biases into Deep Time Series Imputers

Neural Information Processing Systems

Missing values, frequently encountered in time series data, can significantly impair the effectiveness of analytical methods. While deep imputation models have emerged as the predominant approach due to their superior performance, explicitly incorporating inductive biases aligned with time-series characteristics offers substantial improvement potential. Taking advantage of non-stationarity and periodicity in time series, two domain-specific inductive biases are designed: (1) Non-Stationary Guidance, which operationalizes the proximity principle to address highly non-stationary series by emphasizing temporal neighbors, and (2) Periodic Guidance, which exploits periodicity patterns through learnable weight allocation across historical periods. Building upon these complementary mechanisms, the overall module, named Meta Guidance, dynamically fuses both guidances through data-adaptive weights learned from the specific input sample. Experiments on nine benchmark datasets demonstrate that integrating Meta Guidance into existing deep imputation architectures achieves an average 27.39% reduction in imputation error compared to state-of-the-art baselines.


AImplies B: Circuit Analysis in LLMs for Propositional Logical Reasoning

Neural Information Processing Systems

Due to the size and complexity of modern large language models (LLMs), it has proven challenging to uncover the underlying mechanisms that models use to solve reasoning problems. For instance, is their reasoning for a specific problem localized to certain parts of the network? Do they break down the reasoning problem into modular components that are then executed as sequential steps as we go deeper in the model? To better understand the reasoning capability of LLMs, we study a minimal propositional logic problem that requires combining multiple facts to arrive at a solution. By studying this problem on Mistral and Gemma models, up to 27B parameters, we illuminate the core components the models use to solve such logic problems. From a mechanistic interpretability point of view, we use causal mediation analysis to uncover the pathways and components of the LLMs' reasoning processes. Then, we offer fine-grained insights into the functions of attention heads in different layers. We not only find a sparse circuit that computes the answer, but we decompose it into sub-circuits that have four distinct and modular uses. Finally, we reveal that three distinct models - Mistral-7B, Gemma2-9B and Gemma-2-27B - contain analogous but not identical mechanisms.


Diffusion Transformers as Open-World Spatiotemporal Foundation Models

Neural Information Processing Systems

The urban environment is characterized by complex spatio-temporal dynamics arising from diverse human activities and interactions. Effectively modeling these dynamics is essential for understanding and optimizing urban systems. In this work, we introduce UrbanDiT, a foundation model for open-world urban spatiotemporal learning that successfully scales up diffusion transformers in this field.


2b76873e897f3de3069b2f360c65e0c2-Supplemental-Datasets_and_Benchmarks_Track.pdf

Neural Information Processing Systems

Supplementary Material for BLINK-Twice: You see, but do you observe? This supplementary material provides additional details omitted from the main paper due to space1 limitations. It includes a more comprehensive description of the dataset (Section A), covering2 data collection, comparisons with existing datasets, and additional visualizations. We also present3 extended experimental details (Section B), including the full list of evaluated models, the computation4 of evaluation metrics, analysis of multimodal reasoning paradigms, and more qualitative visual results.5 Finally, we discuss the limitations of our method (Section C).6 A.1 Data Collection8 Figure 3 illustrates our data collection pipeline.