Abstract:The discovery and design of functional molecules remain central challenges across chemistry,biology, and materials science. While recent advances in machine learning have accelerated molecular property prediction and candidate generation, existing models tend to excel either in physical fidelity without transparent reasoning, or in flexible reasoning without guarantees of chemical validity. This imbalance limits the reliability of artificial intelligence systems in real scientific design workflows.Here we present Logos, a compact molecular reasoning model that integrates multi-step logical reasoning with strict chemical consistency. Logos is trained using a staged strategy that first exposes the model to explicit reasoning examples linking molecular descriptions to structural decisions, and then progressively aligns these reasoning patterns with molecular representations. In a final training phase, chemical rules and invariants are incorporated directly into the optimization objective, guiding the model toward chemically valid outputs. Across multiple benchmark datasets, Logos achieves strong performance in both structural accuracy and chemical validity, matching or surpassing substantially larger general-purpose language models while operating with a fraction of their parameters. Beyond benchmark evaluation, the model exhibits stable behaviour in molecular optimization tasks involving multiple, potentially conflicting constraints. By explicitly exposing intermediate reasoning steps, Logos enables human inspection and assessment of the design logic underlying each generated structure. These results indicate that jointly optimizing for reasoning structure and physical consistency offers a practical pathway toward reliable and interpretable AI systems for molecular science, supporting closer integration of artificial intelligence into scientific discovery processes.
Abstract:Personal photo albums are not merely collections of static images but living, ecological archives defined by temporal continuity, social entanglement, and rich metadata, which makes the personalized photo retrieval non-trivial. However, existing retrieval benchmarks rely heavily on context-isolated web snapshots, failing to capture the multi-source reasoning required to resolve authentic, intent-driven user queries. To bridge this gap, we introduce PhotoBench, the first benchmark constructed from authentic, personal albums. It is designed to shift the paradigm from visual matching to personalized multi-source intent-driven reasoning. Based on a rigorous multi-source profiling framework, which integrates visual semantics, spatial-temporal metadata, social identity, and temporal events for each image, we synthesize complex intent-driven queries rooted in users' life trajectories. Extensive evaluation on PhotoBench exposes two critical limitations: the modality gap, where unified embedding models collapse on non-visual constraints, and the source fusion paradox, where agentic systems perform poor tool orchestration. These findings indicate that the next frontier in personal multimodal retrieval lies beyond unified embeddings, necessitating robust agentic reasoning systems capable of precise constraint satisfaction and multi-source fusion. Our PhotoBench is available.
Abstract:Most evaluations of External Memory Module assume a static setting: memory is built offline and queried at a fixed state. In practice, memory is streaming: new facts arrive continuously, insertions interleave with retrievals, and the memory state evolves while the model is serving queries. In this regime, accuracy and cost are governed by the full memory lifecycle, which encompasses the ingestion, maintenance, retrieval, and integration of information into generation. We present Neuromem, a scalable testbed that benchmarks External Memory Modules under an interleaved insertion-and-retrieval protocol and decomposes its lifecycle into five dimensions including memory data structure, normalization strategy, consolidation policy, query formulation strategy, and context integration mechanism. Using three representative datasets LOCOMO, LONGMEMEVAL, and MEMORYAGENTBENCH, Neuromem evaluates interchangeable variants within a shared serving stack, reporting token-level F1 and insertion/retrieval latency. Overall, we observe that performance typically degrades as memory grows across rounds, and time-related queries remain the most challenging category. The memory data structure largely determines the attainable quality frontier, while aggressive compression and generative integration mechanisms mostly shift cost between insertion and retrieval with limited accuracy gain.
Abstract:Composed image retrieval (CIR) requires complex reasoning over heterogeneous visual and textual constraints. Existing approaches largely fall into two paradigms: unified embedding retrieval, which suffers from single-model myopia, and heuristic agentic retrieval, which is limited by suboptimal, trial-and-error orchestration. To this end, we propose OSCAR, an optimization-steered agentic planning framework for composed image retrieval. We are the first to reformulate agentic CIR from a heuristic search process into a principled trajectory optimization problem. Instead of relying on heuristic trial-and-error exploration, OSCAR employs a novel offline-online paradigm. In the offline phase, we model CIR via atomic retrieval selection and composition as a two-stage mixed-integer programming problem, mathematically deriving optimal trajectories that maximize ground-truth coverage for training samples via rigorous boolean set operations. These trajectories are then stored in a golden library to serve as in-context demonstrations for online steering of VLM planner at online inference time. Extensive experiments on three public benchmarks and a private industrial benchmark show that OSCAR consistently outperforms SOTA baselines. Notably, it achieves superior performance using only 10% of training data, demonstrating strong generalization of planning logic rather than dataset-specific memorization.
Abstract:As high-quality public text approaches exhaustion, a phenomenon known as the Data Wall, pre-training is shifting from more tokens to better tokens. However, existing methods either rely on heuristic static filters that ignore training dynamics, or use dynamic yet optimizer-agnostic criteria based on raw gradients. We propose OPUS (Optimizer-induced Projected Utility Selection), a dynamic data selection framework that defines utility in the optimizer-induced update space. OPUS scores candidates by projecting their effective updates, shaped by modern optimizers, onto a target direction derived from a stable, in-distribution proxy. To ensure scalability, we employ Ghost technique with CountSketch for computational efficiency, and Boltzmann sampling for data diversity, incurring only 4.7\% additional compute overhead. OPUS achieves remarkable results across diverse corpora, quality tiers, optimizers, and model scales. In pre-training of GPT-2 Large/XL on FineWeb and FineWeb-Edu with 30B tokens, OPUS outperforms industrial-level baselines and even full 200B-token training. Moreover, when combined with industrial-level static filters, OPUS further improves pre-training efficiency, even with lower-quality data. Furthermore, in continued pre-training of Qwen3-8B-Base on SciencePedia, OPUS achieves superior performance using only 0.5B tokens compared to full training with 3B tokens, demonstrating significant data efficiency gains in specialized domains.
Abstract:Large language models have made substantial progress in mathematical reasoning. However, benchmark development for multilingual evaluation has lagged behind English in both difficulty and recency. Recently, GSM-Symbolic showed a strong evidence of high variance when models are evaluated on different instantiations of the same question; however, the evaluation was conducted only in English. In this paper, we introduce MGSM-Pro, an extension of MGSM dataset with GSM-Symbolic approach. Our dataset provides five instantiations per MGSM question by varying names, digits and irrelevant context. Evaluations across nine languages reveal that many low-resource languages suffer large performance drops when tested on digit instantiations different from those in the original test set. We further find that some proprietary models, notably Gemini 2.5 Flash and GPT-4.1, are less robust to digit instantiation, whereas Claude 4.0 Sonnet is more robust. Among open models, GPT-OSS 120B and DeepSeek V3 show stronger robustness. Based on these findings, we recommend evaluating each problem using at least five digit-varying instantiations to obtain a more robust and realistic assessment of math reasoning.
Abstract:Tonal low-resource languages are widely spoken yet remain underserved by modern speech technology. A key challenge is learning representations that are robust to nuisance variation such as gender while remaining tone-aware for different lexical meanings. To address this, we propose SITA, a lightweight adaptation recipe that enforces Speaker-Invariance and Tone-Awareness for pretrained wav2vec-style encoders. SITA uses staged multi-objective training: (i) a cross-gender contrastive objective encourages lexical consistency across speakers, while a tone-repulsive loss prevents tone collapse by explicitly separating same-word different-tone realizations; and (ii) an auxiliary Connectionist Temporal Classification (CTC)-based ASR objective with distillation stabilizes recognition-relevant structure. We evaluate primarily on Hmong, a highly tonal and severely under-resourced language where off-the-shelf multilingual encoders fail to represent tone effectively. On a curated Hmong word corpus, SITA improves cross-gender lexical retrieval accuracy, while maintaining usable ASR accuracy relative to an ASR-adapted XLS-R teacher. We further observe similar gains when transferring the same recipe to Mandarin, suggesting SITA is a general, plug-in approach for adapting multilingual speech encoders to tonal languages.
Abstract:Large language models (LLMs) are increasingly multilingual, yet open models continue to underperform relative to proprietary systems, with the gap most pronounced for African languages. Continued pre-training (CPT) offers a practical route to language adaptation, but improvements on demanding capabilities such as mathematical reasoning often remain limited. This limitation is driven in part by the uneven domain coverage and missing task-relevant knowledge that characterize many low-resource language corpora. We present \texttt{AfriqueLLM}, a suite of open LLMs adapted to 20 African languages through CPT on 26B tokens. We perform a comprehensive empirical study across five base models spanning sizes and architectures, including Llama 3.1, Gemma 3, and Qwen 3, and systematically analyze how CPT data composition shapes downstream performance. In particular, we vary mixtures that include math, code, and synthetic translated data, and evaluate the resulting models on a range of multilingual benchmarks. Our results identify data composition as the primary driver of CPT gains. Adding math, code, and synthetic translated data yields consistent improvements, including on reasoning-oriented evaluations. Within a fixed architecture, larger models typically improve performance, but architectural choices dominate scale when comparing across model families. Moreover, strong multilingual performance in the base model does not reliably predict post-CPT outcomes; robust architectures coupled with task-aligned data provide a more dependable recipe. Finally, our best models improve long-context performance, including document-level translation. Models have been released on [Huggingface](https://huggingface.co/collections/McGill-NLP/afriquellm).
Abstract:Large Language Models (LLMs) have shown promising capabilities for solving Operations Research (OR) problems. While reinforcement learning serves as a powerful paradigm for LLM training on OR problems, existing works generally face two key limitations. First, outcome reward suffers from the credit assignment problem, where correct final answers can reinforce flawed reasoning. Second, conventional discriminative process supervision is myopic, failing to evaluate the interdependent steps of OR modeling holistically. To this end, we introduce StepORLM, a novel self-evolving framework with generative process supervision. At its core, StepORLM features a co-evolutionary loop where a policy model and a generative process reward model (GenPRM) iteratively improve on each other. This loop is driven by a dual-feedback mechanism: definitive, outcome-based verification from an external solver, and nuanced, holistic process evaluation from the GenPRM. The combined signal is used to align the policy via Weighted Direct Preference Optimization (W-DPO) and simultaneously refine the GenPRM. Our resulting 8B-parameter StepORLM establishes a new state-of-the-art across six benchmarks, significantly outperforming vastly larger generalist models, agentic methods, and specialized baselines. Moreover, the co-evolved GenPRM is able to act as a powerful and universally applicable process verifier, substantially boosting the inference scaling performance of both our own model and other existing LLMs.



Abstract:We formalize sequential decision-making with information acquisition as the probing-augmented user-centric selection (PUCS) framework, where a learner first probes a subset of arms to obtain side information on resources and rewards, and then assigns $K$ plays to $M$ arms. PUCS covers applications such as ridesharing, wireless scheduling, and content recommendation, in which both resources and payoffs are initially unknown and probing is costly. For the offline setting with known distributions, we present a greedy probing algorithm with a constant-factor approximation guarantee $\zeta = (e-1)/(2e-1)$. For the online setting with unknown distributions, we introduce OLPA, a stochastic combinatorial bandit algorithm that achieves a regret bound $\mathcal{O}(\sqrt{T} + \ln^{2} T)$. We also prove a lower bound $\Omega(\sqrt{T})$, showing that the upper bound is tight up to logarithmic factors. Experiments on real-world data demonstrate the effectiveness of our solutions.