Deep Learning
Antidistillation Sampling
Frontier models that generate extended reasoning traces inadvertently produce token sequences that can facilitate model distillation. Recognizing this vulnerability, model owners may seek sampling strategies that limit the effectiveness of distillation without compromising model performance. Antidistillation sampling provides exactly this capability.
Thinking in Character: Advancing Role-playing Agents with Role-Aware Reasoning
The advancement of Large Language Models (LLMs) has spurred significant interest in Role-Playing Agents (RPAs) for applications such as emotional companionship and virtual interaction. However, recent RPAs are often built on explicit dialogue data, lacking deep, human-like internal thought processes, resulting in superficial knowledge and style expression. While Large Reasoning Models (LRMs) can be employed to simulate character thought, their direct application is hindered by attention diversion (i.e., RPAs forget their role) and style drift (i.e., overly formal and rigid reasoning rather than character-consistent reasoning). To address these challenges, this paper introduces a novel Role-Aware Reasoning (RAR) method, which consists of two important stages: Role Identity Activation (RIA) and Reasoning Style Optimization (RSO). RIA explicitly guides the model with character profiles during reasoning to counteract attention diversion, and then RSO aligns reasoning style with the character and scene via LRM distillation to mitigate style drift. Extensive experiments demonstrate that the proposed RAR significantly enhances the performance of RPAs by effectively addressing attention diversion and style drift.
Synthetic-Powered Predictive Inference
Conformal prediction is a framework for predictive inference with a distributionfree, finite-sample guarantee. However, it tends to provide uninformative prediction sets when calibration data are scarce. This paper introduces Synthetic-powered predictive inference (SPI), a novel framework that incorporates synthetic data-- e.g., from a generative model--to improve sample efficiency. At the core of our method is a score transporter: an empirical quantile mapping that aligns nonconformity scores from trusted, real data with those from synthetic data. By carefully integrating the score transporter into the calibration process, SPIprovably achieves finite-sample coverage guarantees without making any assumptions about the real and synthetic data distributions. When the score distributions are well aligned, SPIyields substantially tighter and more informative prediction sets than standard conformal prediction. Experiments on image classification--augmenting data with synthetic diffusion-model generated images--and on tabular regression demonstrate notable improvements in predictive efficiency in data-scarce settings.
TAMI: Taming Heterogeneity in Temporal Interactions for Temporal Graph Link Prediction
Temporal graph link prediction aims to predict future interactions between nodes in a graph based on their historical interactions, which are encoded in node embeddings. We observe that heterogeneity naturally appears in temporal interactions, e.g., a few node pairs can make most interaction events, and interaction events happen at varying intervals. This leads to the problems of ineffective temporal information encoding and forgetting of past interactions for a pair of nodes that interact intermittently for their link prediction. Existing methods, however, do not consider such heterogeneity in their learning process, and thus their learned temporal node embeddings are less effective, especially when predicting the links for infrequently interacting node pairs. To cope with the heterogeneity, we propose a novel framework called TAMI, which contains two effective components, namely log time encoding function (LTE) and link history aggregation (LHA). LTE better encodes the temporal information through transforming interaction intervals into more balanced ones, and LHA prevents the historical interactions for each target node pair from being forgotten. State-of-the-art temporal graph neural networks can be seamlessly and readily integrated into TAMI to improve their effectiveness. Experiment results on 13 classic datasets and three newest temporal graph benchmark (TGB) datasets show that TAMI consistently improves the link prediction performance of the underlying models in both transductive and inductive settings.
TaPrGeMoHigh Ring CountHigh PolarizabilityHigh Drug-likenessHigh Hydrophobicityopernrlgeecertau ttlyeesd
Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregressive models trained on databases of chemical compounds have yielded powerful generators, but we still lack robust strategies for generating molecules with desired properties. This molecular search problem closely resembles the "alignment" problem for large language models, though for many chemical tasks we have a specific and easily evaluable reward function. Here, we introduce an algorithm called energy rank alignment (ERA) that leverages an explicit reward function to produce a gradient-based objective that we use to optimize autoregressive policies. We show theoretically that this algorithm is closely related to proximal policy optimization (PPO) and direct preference optimization (DPO), but has a minimizer that converges to an ideal Gibbs-Boltzmann distribution with the reward playing the role of an energy function. Furthermore, this algorithm is highly scalable, does not require reinforcement learning, and performs well relative to DPO when the number of preference observations per pairing is small. We deploy this approach to align molecular transformers and protein language models to generate molecules and protein sequences, respectively, with externally specified properties and find that it does so robustly, searching through diverse parts of chemical space.
aa5642fb7d78a1bca9ceba3d8bd564f4-Paper-Conference.pdf
The application of machine learning (ML) to electroencephalography (EEG) has great potential to advance both neuroscientific research and clinical applications. However, the generalisability and robustness of EEG-based ML models often hinge on the amount and diversity of training data. It is common practice to split EEG recordings into small segments, thereby increasing the number of samples substantially compared to the number of individual recordings or participants. We conceptualise this as a multi-level data generation process and investigate the scaling behaviour of model performance with respect to the overall sample size and the participant diversity through large-scale empirical studies. We then use the same framework to investigate the effectiveness of different ML strategies designed to address limited data problems: data augmentations and self-supervised learning. Our findings show that model performance scaling can be severely constrained by participant distribution shifts and provide actionable guidance for data collection and ML research. The code for our experiments is publicly available online.1
Reasoning Beyond Points: AVisual Introspective Approach for Few-Shot 3DSegmentation
Point Cloud Few-Shot Semantic Segmentation (PC-FSS) aims to segment unknown categories in query samples using only a small number of annotated support samples. However, scene complexity and insufficient representation of local geometric structures pose significant challenges to PC-FSS. To address these issues, we propose a novel pre-training-free Visual Introspective Prototype Segmentation network (VIP-Seg). Specifically, we design a Visual Introspective Prototype (VIP) module that employs a multi-step reasoning approach to tackle intra-class diversity and domain gaps between support and query sets. The VIP module consists of a Prototype Enhancement Module (PEM) and a Prototype Difference Module (PDM), which work alternately to progressively refine prototypes. The PEM enhances prototype discriminability and reduces intra-class diversity, while the PDM learns common representations from the differences between query and support features, effectively eliminating semantic inconsistencies caused by domain gaps. To further reduce intra-class diversity and enhance point discriminative ability, we propose a Dynamic Power Convolution (DyPowerConv) that leverages learnable power functions to effectively capture local geometric structures and detailed features of point clouds. Extensive experiments on S3DIS and ScanNet demonstrate that our proposed VIP-Seg significantly outperforms current state-of-the-art methods, proving its effectiveness in PC-FSS tasks.
Low-Rank Head Avatar Personalization with Registers
We introduce a novel method for low-rank personalization of a generic model for head avatar generation. Prior work proposes generic models that achieve highquality face animation by leveraging large-scale datasets of multiple identities. However, such generic models usually fail to synthesize unique identity-specific details, since they learn a general domain prior. To adapt to specific subjects, we find that it is still challenging to capture high-frequency facial details via popular solutions like low-rank adaptation (LoRA). This motivates us to propose a specific architecture, a Register Module, that enhances the performance of LoRA, while requiring only a small number of parameters to adapt to an unseen identity. Our module is applied to intermediate features of a pre-trained model, storing and re-purposing information in a learnable 3D feature space. To demonstrate the efficacy of our personalization method, we collect a dataset of talking videos of individuals with distinctive facial details, such as wrinkles and tattoos.
Safety Depth in Large Language Models: AMarkov Chain Perspective
Large Language Models (LLMs) are increasingly adopted in high-stakes scenarios, yet their safety mechanisms often remain fragile. Simple jailbreak prompts or even benign fine-tuning can bypass internal safeguards, underscoring the need to understand the failure modes of current safety strategies. Recent findings suggest that vulnerabilities emerge when alignment is confined to only the initial output tokens. To address this, we introduce the notion of safety depth, a designated output position where the model refuses to generate harmful content. While deeper alignment appears promising, identifying the optimal safety depth remains an open and underexplored challenge.