Shammie
Abstract:Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they often rely on standard message-passing backbones that inherit fundamental limitations, including the 1-Weisfeiler-Lehman (1-WL) expressivity barrier and a lack of fine-grained interpretability. To address these challenges, we propose SymGraph, a symbolic framework designed to transcend these constraints. By replacing continuous message passing with discrete structural hashing and topological role-based aggregation, our architecture theoretically surpasses the 1-WL barrier, achieving superior expressiveness without the overhead of differentiable optimization. Extensive empirical evaluations demonstrate that SymGraph achieves state-of-the-art performance, outperforming existing self-explainable GNNs. Notably, SymGraph delivers 10x to 100x speedups in training time using only CPU execution. Furthermore, SymGraph generates rules with superior semantic granularity compared to existing rule-based methods, offering great potential for scientific discovery and explainable AI.
Abstract:We challenge black-box purely deep neural approaches for molecules and graph generation, which are limited in controllability and lack formal guarantees. We introduce Neuro-Symbolic Graph Generative Modeling (NSGGM), a neurosymbolic framework that reapproaches molecule generation as a scaffold and interaction learning task with symbolic assembly. An autoregressive neural model proposes scaffolds and refines interaction signals, and a CPU-efficient SMT solver constructs full graphs while enforcing chemical validity, structural rules, and user-specific constraints, yielding molecules that are correct by construction and interpretable control that pure neural methods cannot provide. NSGGM delivers strong performance on both unconstrained generation and constrained generation tasks, demonstrating that neuro-symbolic modeling can match state-of-the-art generative performance while offering explicit controllability and guarantees. To evaluate more nuanced controllability, we also introduce a Logical-Constraint Molecular Benchmark, designed to test strict hard-rule satisfaction in workflows that require explicit, interpretable specifications together with verifiable compliance.
Abstract:Time series chain (TSC) is a recently introduced concept that captures the evolving patterns in large scale time series. Informally, a time series chain is a temporally ordered set of subsequences, in which consecutive subsequences in the chain are similar to one another, but the last and the first subsequences maybe be dissimilar. Time series chain has the great potential to reveal latent unusual evolving trend in the time series, or identify precursor of important events in a complex system. Unfortunately, existing definitions of time series chains only consider finding chains in a single time series. As a result, they are likely to miss unexpected evolving patterns in interrupted time series, or across two related time series. To address this limitation, in this work, we introduce a new definition called \textit{Joint Time Series Chain}, which is specially designed for the task of finding unexpected evolving trend across interrupted time series or two related time series. Our definition focuses on mitigating the robustness issues caused by the gap or interruption in the time series. We further propose an effective ranking criterion to identify the best chain. We demonstrate that our proposed approach outperforms existing TSC work in locating unusual evolving patterns through extensive empirical evaluations. We further demonstrate the utility of our work with a real-life manufacturing application from Intel. Our source code is publicly available at the supporting page https://github.com/lizhang-ts/JointTSC .
Abstract:We propose PuriLight, a lightweight and efficient framework for self-supervised monocular depth estimation, to address the dual challenges of computational efficiency and detail preservation. While recent advances in self-supervised depth estimation have reduced reliance on ground truth supervision, existing approaches remain constrained by either bulky architectures compromising practicality or lightweight models sacrificing structural precision. These dual limitations underscore the critical need to develop lightweight yet structurally precise architectures. Our framework addresses these limitations through a three-stage architecture incorporating three novel modules: the Shuffle-Dilation Convolution (SDC) module for local feature extraction, the Rotation-Adaptive Kernel Attention (RAKA) module for hierarchical feature enhancement, and the Deep Frequency Signal Purification (DFSP) module for global feature purification. Through effective collaboration, these modules enable PuriLight to achieve both lightweight and accurate feature extraction and processing. Extensive experiments demonstrate that PuriLight achieves state-of-the-art performance with minimal training parameters while maintaining exceptional computational efficiency. Codes will be available at https://github.com/ishrouder/PuriLight.
Abstract:Diffusion models have attained remarkable breakthroughs in the real-world super-resolution (SR) task, albeit at slow inference and high demand on devices. To accelerate inference, recent works like GenDR adopt step distillation to minimize the step number to one. However, the memory boundary still restricts the maximum processing size, necessitating tile-by-tile restoration of high-resolution images. Through profiling the pipeline, we pinpoint that the variational auto-encoder (VAE) is the bottleneck of latency and memory. To completely solve the problem, we leverage pixel-(un)shuffle operations to eliminate the VAE, reversing the latent-based GenDR to pixel-space GenDR-Pix. However, upscale with x8 pixelshuffle may induce artifacts of repeated patterns. To alleviate the distortion, we propose a multi-stage adversarial distillation to progressively remove the encoder and decoder. Specifically, we utilize generative features from the previous stage models to guide adversarial discrimination. Moreover, we propose random padding to augment generative features and avoid discriminator collapse. We also introduce a masked Fourier space loss to penalize the outliers of amplitude. To improve inference performance, we empirically integrate a padding-based self-ensemble with classifier-free guidance to improve inference scaling. Experimental results show that GenDR-Pix performs 2.8x acceleration and 60% memory-saving compared to GenDR with negligible visual degradation, surpassing other one-step diffusion SR. Against all odds, GenDR-Pix can restore 4K image in only 1 second and 6GB.
Abstract:Activation steering has emerged as a cost-effective paradigm for modifying large language model (LLM) behaviors. Existing methods typically intervene at the block level, steering the bundled activations of selected attention heads, feedforward networks, or residual streams. However, we reveal that block-level activations are inherently heterogeneous, entangling beneficial, irrelevant, and harmful features, thereby rendering block-level steering coarse, inefficient, and intrusive. To investigate the root cause, we decompose block activations into fine-grained atomic unit (AU)-level activations, where each AU-level activation corresponds to a single dimension of the block activation, and each AU denotes a slice of the block weight matrix. Steering an AU-level activation is thus equivalent to steering its associated AU. Our theoretical and empirical analysis show that heterogeneity arises because different AUs or dimensions control distinct token distributions in LLM outputs. Hence, block-level steering inevitably moves helpful and harmful token directions together, which reduces efficiency. Restricting intervention to beneficial AUs yields more precise and effective steering. Building on this insight, we propose AUSteer, a simple and efficient method that operates at a finer granularity of the AU level. AUSteer first identifies discriminative AUs globally by computing activation momenta on contrastive samples. It then assigns adaptive steering strengths tailored to diverse inputs and selected AU activations. Comprehensive experiments on multiple LLMs and tasks show that AUSteer consistently surpasses advanced baselines while steering considerably fewer activations, demonstrating that steering less achieves more.
Abstract:Large language models (LLMs) have demonstrated exceptional capabilities in text understanding, which has paved the way for their expansion into video LLMs (Vid-LLMs) to analyze video data. However, current Vid-LLMs struggle to simultaneously retain high-quality frame-level semantic information (i.e., a sufficient number of tokens per frame) and comprehensive video-level temporal information (i.e., an adequate number of sampled frames per video). This limitation hinders the advancement of Vid-LLMs towards fine-grained video understanding. To address this issue, we introduce the SlowFocus mechanism, which significantly enhances the equivalent sampling frequency without compromising the quality of frame-level visual tokens. SlowFocus begins by identifying the query-related temporal segment based on the posed question, then performs dense sampling on this segment to extract local high-frequency features. A multi-frequency mixing attention module is further leveraged to aggregate these local high-frequency details with global low-frequency contexts for enhanced temporal comprehension. Additionally, to tailor Vid-LLMs to this innovative mechanism, we introduce a set of training strategies aimed at bolstering both temporal grounding and detailed temporal reasoning capabilities. Furthermore, we establish FineAction-CGR, a benchmark specifically devised to assess the ability of Vid-LLMs to process fine-grained temporal understanding tasks. Comprehensive experiments demonstrate the superiority of our mechanism across both existing public video understanding benchmarks and our proposed FineAction-CGR.
Abstract:Large language models (LLMs) enable powerful zero-shot recommendations by leveraging broad contextual knowledge, yet predictive uncertainty and embedded biases threaten reliability and fairness. This paper studies how uncertainty and fairness evaluations affect the accuracy, consistency, and trustworthiness of LLM-generated recommendations. We introduce a benchmark of curated metrics and a dataset annotated for eight demographic attributes (31 categorical values) across two domains: movies and music. Through in-depth case studies, we quantify predictive uncertainty (via entropy) and demonstrate that Google DeepMind's Gemini 1.5 Flash exhibits systematic unfairness for certain sensitive attributes; measured similarity-based gaps are SNSR at 0.1363 and SNSV at 0.0507. These disparities persist under prompt perturbations such as typographical errors and multilingual inputs. We further integrate personality-aware fairness into the RecLLM evaluation pipeline to reveal personality-linked bias patterns and expose trade-offs between personalization and group fairness. We propose a novel uncertainty-aware evaluation methodology for RecLLMs, present empirical insights from deep uncertainty case studies, and introduce a personality profile-informed fairness benchmark that advances explainability and equity in LLM recommendations. Together, these contributions establish a foundation for safer, more interpretable RecLLMs and motivate future work on multi-model benchmarks and adaptive calibration for trustworthy deployment.
Abstract:Motion simulation, prediction and planning are foundational tasks in autonomous driving, each essential for modeling and reasoning about dynamic traffic scenarios. While often addressed in isolation due to their differing objectives, such as generating diverse motion states or estimating optimal trajectories, these tasks inherently depend on shared capabilities: understanding multi-agent interactions, modeling motion behaviors, and reasoning over temporal and spatial dynamics. Despite this underlying commonality, existing approaches typically adopt specialized model designs, which hinders cross-task generalization and system scalability. More critically, this separation overlooks the potential mutual benefits among tasks. Motivated by these observations, we propose UniMotion, a unified motion framework that captures shared structures across motion tasks while accommodating their individual requirements. Built on a decoder-only Transformer architecture, UniMotion employs dedicated interaction modes and tailored training strategies to simultaneously support these motion tasks. This unified design not only enables joint optimization and representation sharing but also allows for targeted fine-tuning to specialize in individual tasks when needed. Extensive experiments on the Waymo Open Motion Dataset demonstrate that joint training leads to robust generalization and effective task integration. With further fine-tuning, UniMotion achieves state-of-the-art performance across a range of motion tasks, establishing it as a versatile and scalable solution for autonomous driving.
Abstract:As generative AI achieves hyper-realism, superficial artifact detection has become obsolete. While prevailing methods rely on resource-intensive fine-tuning of black-box backbones, we propose that forgery detection capability is already encoded within pre-trained models rather than requiring end-to-end retraining. To elicit this intrinsic capability, we propose the discriminative neural anchors (DNA) framework, which employs a coarse-to-fine excavation mechanism. First, by analyzing feature decoupling and attention distribution shifts, we pinpoint critical intermediate layers where the focus of the model logically transitions from global semantics to local anomalies. Subsequently, we introduce a triadic fusion scoring metric paired with a curvature-truncation strategy to strip away semantic redundancy, precisely isolating the forgery-discriminative units (FDUs) inherently imprinted with sensitivity to forgery traces. Moreover, we introduce HIFI-Gen, a high-fidelity synthetic benchmark built upon the very latest models, to address the lag in existing datasets. Experiments demonstrate that by solely relying on these anchors, DNA achieves superior detection performance even under few-shot conditions. Furthermore, it exhibits remarkable robustness across diverse architectures and against unseen generative models, validating that waking up latent neurons is more effective than extensive fine-tuning.