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Learning Robust Vision-Language Models from Natural Latent Spaces

Neural Information Processing Systems

Current advanced defense strategies typically employ adversarial prompt tuning to improve the adversarial robustness of VLMs, which struggle to simultaneously maintain generalization across both natural and adversarial examples under different benchmarks and downstream tasks. We propose a collaborative adversarial prompt tuning (CoAPT) approach from pre-trained VLMs to target robust VLMs. Inspired by the image mask modeling, we adopt an improved real-time total variation algorithm to suppress and eliminate high-frequency details from images while preserving edge structures, thereby disrupting the adversarial perturbation space. Subsequently, guided by the high-level image and text representations in the latent space of the pre-trained VLMs, the corrupted natural features are restored while inheriting the superior generalization capability. Experiments on four benchmarks demonstrate that CoAPT achieves an excellent trade-off among natural generalization, adversarial robustness, and task-specific adaptation compared to state-of-the-art methods.


Training a Scientific Reasoning Model for Chemistry

Neural Information Processing Systems

Reasoning models are large language models that emit a long chain-of-thought before answering, providing both higher accuracy and explicit reasoning for their response. A major question has been whether language model reasoning generalizes beyond mathematics, programming, and logic, where most previous work has focused. We demonstrate that reasoning models can be post-trained for chemistry without additional domain pretraining, and require substantially less data compared to contemporary domain-specific models. We report ether0, a 24B parameter LLM (based on Mistral-Small-24B) that can reason in natural language and respond with chemical structures. This reasoning model was trained with reinforcement learning on 640,730 experimentally-grounded chemistry problems across 375 tasks ranging from synthesizability, to blood-brain barrier permeability, to human receptor activity, to scent. Our model exceeds general-purpose chemistry models, frontier models, and human experts on molecular design tasks. It is also more data efficient relative to specialized models. We anticipate that this method can be applied to train data-efficient language models specialized for tasks across a wide variety of scientific domains.


Graph-Theoretic Insights into Bayesian Personalized Ranking for Recommendation

Neural Information Processing Systems

Graph self-supervised learning (GSL) is essential for processing graph-structured data, reducing the need for manual labeling. Traditionally, this paradigm has extensively utilized Bayesian Personalized Ranking (BPR) as its primary loss function. Despite its widespread application, the theoretical analysis of its node relations evaluation have remained largely unexplored. This paper employs recent advancements in latent hyperbolic geometry to deepen our understanding of node relationships from a graph-theoretical perspective. We analyze BPR's limitations, particularly its reliance on local connectivity through 2-hop paths, which overlooks global connectivity and the broader topological structure.


LongVPO: From Anchored Cues to Self-Reasoning for Long-Form Video Preference Optimization

Neural Information Processing Systems

We present LongVPO, a novel two-stage Direct Preference Optimization framework that enables short-context vision-language models to robustly understand ultra-long videos without any long-video annotations. In Stage 1, we synthesize preference triples by anchoring questions to individual short clips, interleaving them with distractors, and applying visual-similarity and question-specificity filtering to mitigate positional bias and ensure unambiguous supervision.


Product distribution learning with imperfect advice

Neural Information Processing Systems

We revisit this problem when the learner is also given as advice the parameters of a product distribution Q. We show that there is an efficient algorithm to learn P within TV distance ฮตthat has sample complexity O(d1 ฮท/ฮต2), if p q 1 < ฮตd0.5 โ„ฆ(ฮท). Here, p and q are the mean vectors of P and Q respectively, and no bound on p q 1 is known to the algorithm a priori.


Large Language Models for Lossless Image Compression: Next-Pixel Prediction in Language Space is All You Need

Neural Information Processing Systems

We have recently witnessed that "Intelligence" and " Compression" are the two sides of the same coin, where the language large model (LLM) with unprecedented intelligence is a general-purpose lossless compressor for various data modalities. This attribute particularly appeals to the lossless image compression community, given the increasing need to compress high-resolution images in the current streaming media era. Consequently, a spontaneous envision emerges: Can the compression performance of the LLM elevate lossless image compression to new heights? However, our findings indicate that the naive application of LLM-based lossless image compressors suffers from a considerable performance gap compared with existing state-of-the-art (SOTA) codecs on common benchmark datasets. In light of this, we are dedicated to fulfilling the unprecedented intelligence (compression) capacity of the LLM for lossless image compression tasks, thereby bridging the gap between theoretical and practical compression performance. Specifically, we propose P2-LLM, a next-pixel prediction-based LLM, which integrates various elaborated insights and methodologies, e.g., pixel-level priors, the in-context ability of LLM, and a pixel-level semantic preservation strategy, to enhance the understanding capacity of pixel sequences for better next-pixel predictions. Extensive experiments on benchmark datasets demonstrate that P2-LLM can beat SOTA classical and learned codecs.



Concentration and excess risk bounds for imbalanced classification with synthetic oversampling

Neural Information Processing Systems

Synthetic oversampling of minority examples using SMOTE and its variants is a leading strategy for addressing imbalanced classification problems. Despite the success of this approach in practice, its theoretical foundations remain underexplored. We develop a theoretical framework to analyze the behavior of SMOTE and related methods when classifiers are trained on synthetic data. We first derive a uniform concentration bound on the discrepancy between the empirical risk over synthetic minority samples and the population risk on the true minority distribution. We then provide a nonparametric excess risk guarantee for kernel-based classifiers trained using such synthetic data. These results lead to practical guidelines for better parameter tuning of both SMOTE and the downstream learning algorithm. Numerical experiments are provided to illustrate and support the theoretical findings.


Deep Edge Filter: Return of the Human-Crafted Layer in Deep Learning

Neural Information Processing Systems

We introduce the Deep Edge Filter, a novel approach that applies high-pass filtering to deep neural network features to improve model generalizability. Our method is motivated by our hypothesis that neural networks encode task-relevant semantic information in high-frequency components while storing domain-specific biases in low-frequency components of deep features. By subtracting low-pass filtered outputs from original features, our approach isolates generalizable representations while preserving architectural integrity. Experimental results across diverse domains such as Vision, Text, 3D, and Audio demonstrate consistent performance improvements regardless of model architecture and data modality. Analysis reveals that our method induces feature sparsification and effectively isolates highfrequency components, providing empirical validation of our core hypothesis.


DMol: AHighly Efficient and Chemical Motif-Preserving Molecule Generation Platform

Neural Information Processing Systems

We introduce a new graph diffusion model for small drug molecule generation which simultaneously offers a 10-fold reduction in the number of diffusion steps when compared to existing methods, preservation of small molecule graph motifs via motif compression, and an average 3% improvement in SMILES validity over the DiGress model across all real-world molecule benchmarking datasets. Furthermore, our approach outperforms the state-of-the-art DeFoG method with respect to motif-conservation by roughly 4%, as evidenced by high ChEMBLlikeness, QED and newly introduced shingles distance scores. The key ideas behind the approach are to use a combination of deterministic and random subgraph perturbations, so that the node and edge noise schedules are codependent; to modify the loss function of the training process in order to exploit the deterministic component of the schedule; and, to "compress" a collection of highly relevant carbon ring and other motif structures into supernodes in a way that allows for simple subsequent integration into the molecular scaffold1.