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SwS: Self-aware Weakness-driven Problem Synthesis in Reinforcement Learning for LLMReasoning

Neural Information Processing Systems

Reinforcement Learning with Verifiable Rewards (RLVR) has proven effective for training large language models (LLMs) on complex reasoning tasks, such as mathematical problem solving. A prerequisite for the scalability of RLVR is a high-quality problem set with precise and verifiable answers.


APrincipled Approach to Randomized Selection under Uncertainty: Applications to Peer Review and Grant Funding

Neural Information Processing Systems

Many decision-making processes involve evaluating and selecting items, including scientific peer review, job hiring, school admissions, and investment decisions. These domains feature error-prone evaluations and uncertainty about outcomes, which undermine deterministic selection rules. Consequently, randomized selection mechanisms are gaining traction. However, current randomized approaches are ad hoc and, as we prove, inappropriate for their purported objectives. We propose a principled framework for randomized decision-making based on interval estimates of item quality. We introduce MERIT (Maximin Efficient Randomized Interval Top-k), which maximizes the worst-case expected number of top candidates selected under uncertainty represented by overlapping intervals. MERIT provides optimal resource allocation under an interpretable robustness notion. We develop a polynomial-time, practically efficient algorithm and prove our approach satisfies desirable axiomatic properties not guaranteed by existing methods. Experiments on synthetic peer review data from grant funding and conferences demonstrate that MERIT matches existing algorithms' expected utility under fully probabilistic models while outperforming them under our worst-case formulation.


ADataset for Distilling Knowledge Priors from Literature for Therapeutic Design

Neural Information Processing Systems

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis across diverse models on the GuacaMol benchmark using supervised classifiers, over 60% of molecules proposed had a high probability of being mutagenic. In this work, we introduce Medex, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. Medex consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e.


DualEquiNet: ADual-Space Hierarchical Equivariant Network for Large Biomolecules

Neural Information Processing Systems

Geometric graph neural networks (GNNs) that respect E(3) symmetries have achieved strong performance on small molecule modeling, but they face scalability and expressiveness challenges when applied to large biomolecules such as RNA and proteins. These systems require models that can simultaneously capture fine-grained atomic interactions, long-range dependencies across spatially distant components, and biologically relevant hierarchical structure--such as atoms forming residues, which in turn form higher-order domains. Existing geometric GNNs, which typically operate exclusively in either Euclidean or Spherical Harmonics space, are limited in their ability to capture both the fine-scale atomic details and the long-range, symmetry-aware dependencies required for modeling the multi-scale structure of large biomolecules. We introduce DualEquiNet, a Dual-Space Hierarchical Equivariant Network that constructs complementary representations in both Euclidean and Spherical Harmonics spaces to capture local geometry and global symmetry-aware features. DualEquiNet employs bidirectional cross-space message passing and a novel Cross-Space Interaction Pooling mechanism to hierarchically aggregate atomic features into biologically meaningful units, such as residues, enabling efficient and expressive multi-scale modeling for large biomolecular systems. DualEquiNet achieves state-of-the-art performance on multiple existing benchmarks for RNA property prediction and protein modeling, and outperforms prior methods on two newly introduced 3D structural benchmarks demonstrating its broad effectiveness across a range of large biomolecule modeling tasks.


Towards Unsupervised Open-Set Graph Domain Adaptation via Dual Reprogramming

Neural Information Processing Systems

Unsupervised Graph Domain Adaptation has become a promising paradigm for transferring knowledge from a fully labeled source graph to an unlabeled target graph. Existing graph domain adaptation models primarily focus on the closed-set setting, where the source and target domains share the same label spaces. However, this assumption might not be practical in the real-world scenarios, as the target domain might include classes that are not present in the source domain. In this paper, we investigate the problem of unsupervised open-set graph domain adaptation, where the goal is to not only correctly classify target nodes into the known classes, but also recognize previously unseen node types into the unknown class. Towards this end, we propose a novel framework called GraphRTA, which conducts reprogramming on both the graph and model sides. Specifically, we reprogram the graph by modifying target graph structure and node features, which facilitates better separation of known and unknown classes. Meanwhile, we also perform model reprogramming by pruning domain-specific parameters to reduce bias towards the source graph while preserving parameters that capture transferable patterns across graphs. Additionally, we extend the classifier with an extra dimension for the unknown class, thus eliminating the need of manually specified threshold in open-set recognition. Comprehensive experiments on several public datasets demonstrate that our proposed model can achieve satisfied performance compared with recent state-of-the-art baselines.


WritingBench: AComprehensive Benchmark for Generative Writing

Neural Information Processing Systems

Recent advancements in large language models (LLMs) have significantly enhanced text generation capabilities, yet evaluating their performance in generative writing remains a challenge. Existing benchmarks primarily focus on generic text generation or limited in writing tasks, failing to capture the diverse requirements of high-quality written contents across various domains. To bridge this gap, we present WritingBench, a comprehensive benchmark designed to evaluate LLMs across 6 core writing domains and 100 subdomains.We further propose a querydependent evaluation framework that empowers LLMs to dynamically generate instance-specific assessment criteria. This framework is complemented by a finetuned critic model for criteria-aware scoring, enabling evaluations in style, format and length. The framework's validity is further demonstrated by its data curation capability, which enables a 7B-parameter model to outperform the performance of GPT-4o in writing. We open-source the benchmark, along with evaluation tools and modular framework components, to advance the development of LLMs in writing.


AScalable, Causal, and Energy Efficient Framework for Neural Decoding with Spiking Neural Networks

Neural Information Processing Systems

Brain-computer interfaces (BCIs) promise to enable vital functions, such as speech and prosthetic control, for individuals with neuromotor impairments. Central to their success are neural decoders, models that map neural activity to intended behavior. Current learning-based decoding approaches fall into two classes: simple, causal models that lack generalization, or complex, non-causal models that generalize and scale offline but struggle in real-time settings. Both face a common challenge, their reliance on power-hungry artificial neural network backbones, which makes integration into real-world, resource-limited systems difficult.



OpenGU: AComprehensive Benchmark for Graph Unlearning

Neural Information Processing Systems

Graph Machine Learning is essential for understanding and analyzing relational data. However, privacy-sensitive applications demand the ability to efficiently remove sensitive information from trained graph neural networks (GNNs), avoiding the unnecessary time and space overhead caused by retraining models from scratch. To address this issue, Graph Unlearning (GU) has emerged as a critical solution to support dynamic graph updates while ensuring privacy compliance. Unlike machine unlearning in computer vision or other fields, GU faces unique difficulties due to the non-Euclidean nature of graph data and the recursive message-passing mechanism of GNNs. Additionally, the diversity of downstream tasks and the complexity of unlearning requests further amplify these challenges. Despite the proliferation of diverse GU strategies, the absence of a benchmark providing fair comparisons for GU, and the limited flexibility in combining downstream tasks and unlearning requests, have yielded inconsistencies in evaluations, hindering the development of this domain. To fill this gap, we present OpenGU, the first GU benchmark, where 16 SOTAGU algorithms and 37 multi-domain datasets are integrated, enabling various downstream tasks with 13 GNN backbones when responding to flexible unlearning requests. Through extensive experimentation, we have drawn 10crucial conclusions about existing GU methods, while also gaining valuable insights into their limitations, shedding light on potential avenues for future research.