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 Deep Learning


APhysics-preserved Transfer Learning Method for Differential Equations

Neural Information Processing Systems

While data-driven methods such as neural operator have achieved great success in solving differential equations (DEs), they suffer from domain shift problems caused by different learning environments (with data bias or equation changes), which can be alleviated by transfer learning (TL). However, existing TL methods adopted in DEs problems lack either generalizability in general DEs problems or physics preservation during training. In this work, we focus on a general transfer learning method that adaptively correct the domain shift and preserve physical relation within the equation. Mathematically, we characterize the data domain as product distribution and the essential problems as distribution bias and operator bias. APhysics-preserved Optimal Tensor Transport (POTT) method that simultaneously admits generalizability to common DEs and physics preservation of specific problem is proposed to adapt the data-driven model to target domain, utilizing the pushforward distribution induced by the POTT map. Extensive experiments in simulation and real-world datasets demonstrate the superior performance, generalizability and physics preservation of the proposed POTT method.


Let Brain Rhythm Shape Machine Intelligence for Connecting Dots on Graphs

Neural Information Processing Systems

In both neuroscience and artificial intelligence (AI), it is well-established that neural "coupling" gives rise to dynamically distributed systems. These systems exhibit selforganized spatiotemporal patterns of synchronized neural oscillations, enabling the representation of abstract concepts. By capitalizing on the unprecedented amount of human neuroimaging data, we propose that advancing the theoretical understanding of rhythmic coordination in neural circuits can offer powerful design principles for the next generation of machine learning models with improved efficiency and robustness. To this end, we introduce a physics-informed deep learning framework for Brain Rhythm Identification by Kuramoto and Control (coined BRICK) to characterize the synchronization of neural oscillations that shapes the dynamics of evolving cognitive states. Recognizing that brain networks are structurally connected yet behaviorally dynamic, we further conceptualize rhythmic neural activity as an artificial dynamical system of coupled oscillators, offering a shared mechanistic bridge to brain-inspired machine intelligence. By treating each node as an oscillator interacting with its neighbors, this approach moves beyond the conventional paradigm of graph heat diffusion and establishes a new regime of representation compression through oscillatory synchronization. Empirical evaluations demonstrate that this synchronization-driven mechanism not only mitigates over-smoothing in deep GNNs but also enhances the model's capacity for reasoning and solving complex graph-based problems.


From Replication to Redesign: Exploring Pairwise Comparisons for LLM-Based Peer Review

Neural Information Processing Systems

The advent of large language models (LLMs) offers unprecedented opportunities to reimagine peer review beyond the constraints of traditional workflows. Despite these opportunities, prior efforts have largely focused on replicating traditional review workflows with LLMs serving as direct substitutes for human reviewers, while limited attention has been given to exploring new paradigms that fundamentally rethink how LLMs can participate in the academic review process. In this paper, we introduce and explore a novel mechanism that employs LLM agents to perform pairwise comparisons among manuscripts instead of individual scoring. By aggregating outcomes from substantial pairwise evaluations, this approach enables a more accurate and robust measure of relative manuscript quality. Our experiments demonstrate that this comparative approach significantly outperforms traditional rating-based methods in identifying high-impact papers. However, our analysis also reveals emergent biases in the selection process, notably a reduced novelty in research topics and an increased institutional imbalance. These findings highlight both the transformative potential of rethinking peer review with LLMs and critical challenges that future systems must address to ensure equity and diversity.


GAMMA: Gated Multi-hop Message Passing for Homophily-Agnostic Node Representation in GNNs

Neural Information Processing Systems

The success of Graph Neural Networks (GNNs) leverages the homophily principle, where connected nodes share similar features and labels. However, this assumption breaks down in heterophilic graphs, where same-class nodes are often distributed across distant neighborhoods rather than immediate connections. Recent attempts expand the receptive field through multi-hop aggregation schemes that explicitly preserve intermediate representations from each hop distance. While effective at capturing heterophilic patterns, these methods require separate weight matrices per hop and feature concatenation, causing parameters to scale linearly with hop count. This leads to high computational complexity and GPU memory consumption. We propose Gated Multi-hop Message Passing (GAMMA), where nodes assess how relevant the aggregated information is from their k-hop neighbors. This assessment occurs through multiple refinement steps where the node compares each hop's embedding with its current representation, allowing it to focus on the most informative hops. During the forward pass, GAMMA finds the optimal mix of multi-hop information local to each node using a single feature vector without needing separate representations for each hop, thereby maintaining dimensionality comparable to single hop GNNs. In addition, we propose a weight sharing scheme that leverages a unified transformation for aggregated features from multiple hops so the global heterophilic patterns specific to each hop are learned during training.


Projecting Assumptions: The Duality Between Sparse Autoencoders and Concept Geometry

Neural Information Processing Systems

Sparse Autoencoders (SAEs) are widely used to interpret neural networks by identifying meaningful concepts from their representations. However, do SAEs truly uncover all concepts a model relies on, or are they inherently biased toward certain kinds of concepts? We introduce a unified framework that recasts SAEs as solutions to a bilevel optimization problem, revealing a fundamental challenge: each SAE imposes structural assumptions about how concepts are encoded in model representations, which in turn shapes what it can and cannot detect. This means different SAEs are not interchangeable--switching architectures can expose entirely new concepts or obscure existing ones. To systematically probe this effect, we evaluate SAEs across a spectrum of settings: from controlled toy models that isolate key variables, to semi-synthetic experiments on real model activations and finally to large-scale, naturalistic datasets. Across this progression, we examine two fundamental properties that real-world concepts often exhibit: heterogeneity in intrinsic dimensionality (some concepts are inherently low-dimensional, others are not) and nonlinear separability. We show that SAEs fail to recover concepts when these properties are ignored, and we design a new SAE that explicitly incorporates both, enabling the discovery of previously hidden concepts and reinforcing our theoretical insights. Our findings challenge the idea of a universal SAE and underscores the need for architecture-specific choices in model interpretability.


Preference-Driven Multi-Objective Combinatorial Optimization with Conditional Computation

Neural Information Processing Systems

Recent deep reinforcement learning methods have achieved remarkable success in solving multi-objective combinatorial optimization problems (MOCOPs) by decomposing them into multiple subproblems, each associated with a specific weight vector. However, these methods typically treat all subproblems equally and solve them using a single model, hindering the effective exploration of the solution space and thus leading to suboptimal performance. To overcome the limitation, we propose POCCO, a novel plug-and-play framework that enables adaptive selection of model structures for subproblems, which are subsequently optimized based on preference signals rather than explicit reward values.


Cascaded Language Models for Cost-Effective Human-AI Decision-Making

Neural Information Processing Systems

A challenge in human-AI decision-making is to balance three factors: the correctness of predictions, the cost of knowledge and reasoning complexity, and the confidence about whether to abstain from automated answers or escalate to human experts. In this work, we present a cascaded LLM decision framework that adaptively delegates tasks across multiple tiers of expertise - a base model for initial candidate answers, a more capable and knowledgeable (but costlier) large model, and a human expert for when the model cascade abstains.


Q-Palette: Fractional-Bit Quantizers Toward Optimal Bit Allocation for Efficient LLMDeployment Deokjae Lee1,2 Hyun Oh Song1,2

Neural Information Processing Systems

We study weight-only post-training quantization (PTQ), which quantizes the weights of a large language model (LLM) without retraining, using little or no calibration data. Weight-only PTQ is crucial for reducing the memory footprint and latency of LLM inference, especially in memory-bound, small-batch inference scenarios, such as personalized inference on edge devices. Despite its importance, irregular weight distributions with heavy-tailed outliers in LLMs complicate quantization, recently motivating rotation-based methods that transform weights into near-Gaussian distributions, which are more regular with fewer outliers, thereby reducing quantization error. In this work, we first derive the information-theoretically optimal bit allocation for Gaussianized weights under given bit budgets, revealing that fine-grained fractional-bit quantizers approaching the Gaussian distortion-rate bound are essential to achieve near-optimal quantization performance. To bridge this theoretical insight and practical implementation, we introduce Q-Palette, a versatile collection of fractional-bit quantizers that range from trellis-coded quantizers offering near-optimal distortion to simpler vector and scalar quantizers optimized for faster inference, all efficiently implemented with optimized CUDA kernels across various bitwidths. Furthermore, leveraging Q-Palette as a foundational component, we propose a novel mixed-scheme quantization framework, jointly optimizing quantizer choices and layer fusion decisions given resource constraints.