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Neural Information Processing Systems

Deep learning techniques have driven significant progress in various analytical tasks within 3D genomics in computational biology. However, a holistic understanding of 3D genomics knowledge remains underexplored. Here, we propose MIX-HIC, the first multimodal foundation model of 3D genome that integrates both Hi-C contact maps and epigenomic tracks, which obtains unified and comprehensive semantics.


ShotBench: Expert-Level Cinematic Understanding in Vision-Language Models

Neural Information Processing Systems

Cinematography, the fundamental visual language of film, is essential for conveying narrative, emotion, and aesthetic quality. While recent Vision-Language Models (VLMs) demonstrate strong general visual understanding, their proficiency in comprehending the nuanced cinematic grammar embedded within individual shots remains largely unexplored and lacks robust evaluation.


AutoToM Scaling Model based Mental Inference via Automated Agent Modeling

Neural Information Processing Systems

Theory of Mind (ToM), the ability to understand people's minds based on their behavior, is key to developing socially intelligent agents. Current approaches to ToM reasoning either rely on prompting Large Language Models (LLMs), which are prone to systematic errors, or use handcrafted, rigid agent models for model-based inference, which are more robust but fail to generalize across domains. In this work, we introduce AutoToM, an automated agent modeling method for scalable, robust, and interpretable mental inference. Given a ToM problem, AutoToM first proposes an initial agent model and then performs automated Bayesian inverse planning based on this model, leveraging an LLM backend.


SILENCER: From Discovery to Mitigation of Self-Bias in LLM-as-Benchmark-Generator

Neural Information Processing Systems

LLM-as-Benchmark-Generator methods have been widely studied as a supplement to human annotators for scalable evaluation, while the potential biases within this paradigm remain underexplored. In this work, we systematically define and validate the phenomenon of inflated performance in models evaluated on their self-generated benchmarks, referred to as self-bias, and attribute it to sub-biases arising from question domain, language style, and wrong labels. On this basis, we propose SILENCER, a general framework that leverages the heterogeneity between multiple generators at both the sample and benchmark levels to neutralize bias and generate high-quality, self-bias-silenced benchmark. Experimental results across various settings demonstrate that SILENCER can suppress self-bias to near zero, significantly improve evaluation effectiveness of the generated benchmark (with an average improvement from 0.655 to 0.833 in Pearson correlation with high-quality human-annotated benchmark), while also exhibiting strong generalizability.


Learning to Watermark: ASelective Watermarking Framework for Large Language Models via Multi-Objective Optimization

Neural Information Processing Systems

The rapid development of LLMs has raised concerns about their potential misuse, leading to various watermarking schemes that typically offer high detectability. However, existing watermarking techniques often face trade-off between watermark detectability and generated text quality. In this paper, we introduce Learning to Watermark (LTW), a novel selective watermarking framework that leverages multi-objective optimization to effectively balance these competing goals. LTW features a lightweight network that adaptively decides when to apply the watermark by analyzing sentence embeddings, token entropy, and current watermarking ratio. Training of the network involves two specifically constructed loss functions that guide the model toward Pareto-optimal solutions, thereby harmonizing watermark detectability and text quality. By integrating LTW with two baseline watermarking methods, our experimental evaluations demonstrate that LTW significantly enhances text quality without compromising detectability. Our selective watermarking approach offers a new perspective for designing watermarks for LLMs and a way to preserve high text quality for watermarks.


Rethinking Multimodal Learning from the Perspective of Mitigating Classification Ability Disproportion

Neural Information Processing Systems

Multimodal learning (MML) is significantly constrained by modality imbalance, leading to suboptimal performance in practice. While existing approaches primarily focus on balancing the learning of different modalities to address this issue, they fundamentally overlook the inherent disproportion in model classification ability, which serves as the primary cause of this phenomenon. In this paper, we propose a novel multimodal learning approach to dynamically balance the classification ability of weak and strong modalities by incorporating the principle of boosting. Concretely, we first propose a sustained boosting algorithm in multimodal learning by simultaneously optimizing the classification and residual errors. Subsequently, we introduce an adaptive classifier assignment strategy to dynamically facilitate the classification performance of the weak modality. Furthermore, we theoretically analyze the convergence property of the cross-modal gap function, ensuring the effectiveness of the proposed boosting scheme. To this end, the classification ability of strong and weak modalities is expected to be balanced, thereby mitigating the imbalance issue. Empirical experiments on widely used datasets reveal the superiority of our method through comparison with various state-of-the-art (SOTA) multimodal learning baselines. The source code is available at https://github.


Scaling Laws for Optimal Data Mixtures Mustafa Shukor Louis Bethune Dan Busbridge David Grangier Sorbonne University Apple Apple Apple Enrico Fini Alaaeldin El-Nouby Pierre Ablin Apple

Neural Information Processing Systems

Large foundation models are typically trained on data from multiple domains, with the data mixture-the proportion of each domain used-playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h.


Preference Learning with Lie Detectors can Induce Honesty or Evasion

Neural Information Processing Systems

As AI systems become more capable, deceptive behaviors can undermine evaluation and mislead users at deployment. Recent work has shown that lie detectors can accurately classify deceptive behavior, but they are not typically used in the training pipeline due to concerns around contamination and objective hacking. We examine these concerns by incorporating a lie detector into the labelling step of LLM post-training and evaluating whether the learned policy is genuinely more honest, or instead learns to fool the lie detector while remaining deceptive. Using DolusChat, a novel 65k-example dataset with paired truthful/deceptive responses, we identify three key factors that determine the honesty of learned policies: amount of exploration during preference learning, lie detector accuracy, and KL regularization strength. We find that preference learning with lie detectors and GRPO can lead to policies which evade lie detectors, with deception rates of over 85%. However, if the lie detector true positive rate (TPR) or KL regularization is sufficiently high, GRPO learns honest policies. In contrast, off-policy algorithms (DPO) consistently lead to deception rates under 25% for realistic TPRs. Our results illustrate a more complex picture than previously assumed: depending on the context, lie-detector-enhanced training can be a powerful tool for scalable oversight, or a counterproductive method encouraging undetectable misalignment.


Bridging the Gap Between Cross-Domain Theory and Practical Application: ACase Study on Molecular Dissolution

Neural Information Processing Systems

Artificial intelligence (AI) has played a transformative role in chemical research, greatly facilitating the prediction of small molecule properties, simulation of catalytic processes, and material design. These advances are driven by increases in computing power, open source machine learning frameworks, and extensive chemical datasets. However, a persistent challenge is the limited amount of high-quality real-world data, while models calculated based on large amounts of theoretical data are often costly and difficult to deploy, which hinders the applicability of AI models in practical scenarios. In this study, we enhance the prediction of solutesolvent properties by proposing a novel sample selection method: Core Subset Iterative Extraction (CSIE). CSIE iteratively updates the core sample subset based on information gain to remove redundant samples in theoretical data and optimize the performance of the model on real chemical datasets. Furthermore, we introduce an asymmetric molecular interaction graph neural network (AMGNN) that combines positional information and bidirectional edge connections to simulate real-world chemical reaction scenarios to better capture solute-solvent interactions. Experimental results show that our method can accurately extract the core subset and improve the prediction accuracy. Code is available at: https://CISE-AMGNN.


UMA: AFamily of Universal Models for Atoms

Neural Information Processing Systems

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, we present a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g.