Jialin Song

Aakshita Chandiramani, Aaron Blakeman, Abdullahi Olaoye et al. · amazon-science, cmu

We describe the pre-training, post-training, and quantization of Nemotron 3 Super, a 120 billion (active 12 billion) parameter hybrid Mamba-Attention Mixture-of-Experts model. Nemotron 3 Super is the first model in the Nemotron 3 family to 1) be pre-trained in NVFP4, 2) leverage LatentMoE, a new Mixture-of-Experts architecture that optimizes for both accuracy per FLOP and accuracy per parameter, and 3) include MTP layers for inference acceleration through native speculative decoding. We pre-trained Nemotron 3 Super on 25 trillion tokens followed by post-training using supervised fine tuning (SFT) and reinforcement learning (RL). The final model supports up to 1M context length and achieves comparable accuracy on common benchmarks, while also achieving up to 2.2x and 7.5x higher inference throughput compared to GPT-OSS-120B and Qwen3.5-122B, respectively. Nemotron 3 Super datasets, along with the base, post-trained, and quantized checkpoints, are open-sourced on HuggingFace.

Fengxue Zhang, Jialin Song, James Bowden et al.

We study Bayesian optimization (BO) in high-dimensional and non-stationary scenarios. Existing algorithms for such scenarios typically require extensive hyperparameter tuning, which limits their practical effectiveness. We propose a framework, called BALLET, which adaptively filters for a high-confidence region of interest (ROI) as a superlevel-set of a nonparametric probabilistic model such as a Gaussian process (GP). Our approach is easy to tune, and is able to focus on local region of the optimization space that can be tackled by existing BO methods. The key idea is to use two probabilistic models: a coarse GP to identify the ROI, and a localized GP for optimization within the ROI. We show theoretically that BALLET can efficiently shrink the search space, and can exhibit a tighter regret bound than standard BO without ROI filtering. We demonstrate empirically the effectiveness of BALLET on both synthetic and real-world optimization tasks.

Mingqian Feng, Xiaodong Liu, Weiwei Yang et al.

Multi-turn jailbreaks capture the real threat model for safety-aligned chatbots, where single-turn attacks are merely a special case. Yet existing approaches break under exploration complexity and intent drift. We propose SEMA, a simple yet effective framework that trains a multi-turn attacker without relying on any existing strategies or external data. SEMA comprises two stages. Prefilling self-tuning enables usable rollouts by fine-tuning on non-refusal, well-structured, multi-turn adversarial prompts that are self-generated with a minimal prefix, thereby stabilizing subsequent learning. Reinforcement learning with intent-drift-aware reward trains the attacker to elicit valid multi-turn adversarial prompts while maintaining the same harmful objective. We anchor harmful intent in multi-turn jailbreaks via an intent-drift-aware reward that combines intent alignment, compliance risk, and level of detail. Our open-loop attack regime avoids dependence on victim feedback, unifies single- and multi-turn settings, and reduces exploration complexity. Across multiple datasets, victim models, and jailbreak judges, our method achieves state-of-the-art (SOTA) attack success rates (ASR), outperforming all single-turn baselines, manually scripted and template-driven multi-turn baselines, as well as our SFT (Supervised Fine-Tuning) and DPO (Direct Preference Optimization) variants. For instance, SEMA performs an average $80.1\%$ ASR@1 across three closed-source and open-source victim models on AdvBench, 33.9% over SOTA. The approach is compact, reproducible, and transfers across targets, providing a stronger and more realistic stress test for large language model (LLM) safety and enabling automatic redteaming to expose and localize failure modes. Our code is available at: https://github.com/fmmarkmq/SEMA.

Shreyansh Daftry, Neil Abcouwer, Tyler Del Sesto et al.

We present MLNav, a learning-enhanced path planning framework for safety-critical and resource-limited systems operating in complex environments, such as rovers navigating on Mars. MLNav makes judicious use of machine learning to enhance the efficiency of path planning while fully respecting safety constraints. In particular, the dominant computational cost in such safety-critical settings is running a model-based safety checker on the proposed paths. Our learned search heuristic can simultaneously predict the feasibility for all path options in a single run, and the model-based safety checker is only invoked on the top-scoring paths. We validate in high-fidelity simulations using both real Martian terrain data collected by the Perseverance rover, as well as a suite of challenging synthetic terrains. Our experiments show that: (i) compared to the baseline ENav path planner on board the Perserverance rover, MLNav can provide a significant improvement in multiple key metrics, such as a 10x reduction in collision checks when navigating real Martian terrains, despite being trained with synthetic terrains; and (ii) MLNav can successfully navigate highly challenging terrains where the baseline ENav fails to find a feasible path before timing out.

Pu Ren, Rie Nakata, Maxime Lacour et al.

Predicting high-fidelity ground motions for future earthquakes is crucial for seismic hazard assessment and infrastructure resilience. Conventional empirical simulations suffer from sparse sensor distribution and geographically localized earthquake locations, while physics-based methods are computationally intensive and require accurate representations of Earth structures and earthquake sources. We propose a novel artificial intelligence (AI) simulator, Conditional Generative Modeling for Ground Motion (CGM-GM), to synthesize high-frequency and spatially continuous earthquake ground motion waveforms. CGM-GM leverages earthquake magnitudes and geographic coordinates of earthquakes and sensors as inputs, learning complex wave physics and Earth heterogeneities, without explicit physics constraints. This is achieved through a probabilistic autoencoder that captures latent distributions in the time-frequency domain and variational sequential models for prior and posterior distributions. We evaluate the performance of CGM-GM using small-magnitude earthquake records from the San Francisco Bay Area, a region with high seismic risks. CGM-GM demonstrates a strong potential for outperforming a state-of-the-art non-ergodic empirical ground motion model and shows great promise in seismology and beyond.

Yuqiu Liu, Jialin Song, Marissa Ramirez de Chanlatte et al.

Real objects that inhabit the physical world follow physical laws and thus behave plausibly during interaction with other physical objects. However, current methods that perform 3D reconstructions of real-world scenes from multi-view 2D images optimize primarily for visual fidelity, i.e., they train with photometric losses and reason about uncertainty in the image or representation space. This appearance-centric view overlooks body contacts and couplings, conflates function-critical regions (e.g., aerodynamic or hydrodynamic surfaces) with ornamentation, and reconstructs structures suboptimally, even when physical regularizers are added. All these can lead to unphysical and implausible interactions. To address this, we consider the question: How can 3D reconstruction become aware of real-world interactions and underlying object functionality, beyond visual cues? To answer this question, we propose FluidGaussian, a plug-and-play method that tightly couples geometry reconstruction with ubiquitous fluid-structure interactions to assess surface quality at high granularity. We define a simulation-based uncertainty metric induced by fluid simulations and integrate it with active learning to prioritize views that improve both visual and physical fidelity. In an empirical evaluation on NeRF Synthetic (Blender), Mip-NeRF 360, and DrivAerNet++, our FluidGaussian method yields up to +8.6% visual PSNR (Peak Signal-to-Noise Ratio) and -62.3% velocity divergence during fluid simulations. Our code is available at https://github.com/delta-lab-ai/FluidGaussian.

Wuyang Chen, Jialin Song, Pu Ren et al.

Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces the need for expensive numerical PDE solutions, partially undermining the original goal of avoiding these expensive simulations. In this work, seeking data efficiency, we design unsupervised pretraining for PDE operator learning. To reduce the need for training data with heavy simulation costs, we mine unlabeled PDE data without simulated solutions, and we pretrain neural operators with physics-inspired reconstruction-based proxy tasks. To improve out-of-distribution performance, we further assist neural operators in flexibly leveraging a similarity-based method that learns in-context examples, without incurring extra training costs or designs. Extensive empirical evaluations on a diverse set of PDEs demonstrate that our method is highly data-efficient, more generalizable, and even outperforms conventional vision-pretrained models. We provide our code at https://github.com/delta-lab-ai/data_efficient_nopt.

Mauricio Soroco, Jialin Song, Mengzhou Xia et al.

While recent AI-for-math has made strides in pure mathematics, areas of applied mathematics, particularly PDEs, remain underexplored despite their significant real-world applications. We present PDE-Controller, a framework that enables large language models (LLMs) to control systems governed by partial differential equations (PDEs). Our approach enables LLMs to transform informal natural language instructions into formal specifications, and then execute reasoning and planning steps to improve the utility of PDE control. We build a holistic solution comprising datasets (both human-written cases and 2 million synthetic samples), math-reasoning models, and novel evaluation metrics, all of which require significant effort. Our PDE-Controller significantly outperforms prompting the latest open source and GPT models in reasoning, autoformalization, and program synthesis, achieving up to a 62% improvement in utility gain for PDE control. By bridging the gap between language generation and PDE systems, we demonstrate the potential of LLMs in addressing complex scientific and engineering challenges. We release all data, model checkpoints, and code at https://pde-controller.github.io/.

Jialin Song, Jonathan Raiman, Bryan Catanzaro

Large Language Models (LLMs) show promise in code generation tasks. However, their code-writing abilities are often limited in scope: while they can successfully implement simple functions, they struggle with more complex tasks. A fundamental difference with how an LLM writes code, compared to a human programmer, is that it cannot consistently spot and fix bugs. Debugging is a crucial skill for programmers and it enables iterative code refinement towards a correct implementation. In this work, we propose a novel algorithm to enable LLMs to debug their code via self-reflection and search where a model attempts to identify its previous mistakes. Our key contributions are 1) a best-first tree search algorithm with self-reflections (BESTER) that achieves state-of-the-art Pass@1 in three code generation benchmarks. BESTER maintains its superiority when we measure pass rates taking into account additional inference costs incurred by tree search. 2) A novel interpretability study on what self-reflections attend to in buggy programs and how they impact bug fixes, which provides a deeper understanding of the debugging process. 3) An extensive study on when self-reflections are effective in finding bugs.

Jialin Song, Xiaodong Liu, Weiwei Yang et al.

We present MultiBreak, a scalable and diverse multi-turn jailbreak benchmark to evaluate large language model (LLM) safety. Multi-turn jailbreaks mimic natural conversational settings, making them easier to bypass safety-aligned LLM than single-turn jailbreaks. Existing multi-turn benchmarks are limited in size or rely heavily on templates, which restrict their diversity. To address this gap, we unify a wide range of harmful jailbreak intents, and introduce an active learning pipeline for expanding high-quality multi-turn adversarial prompts, where a generator is iteratively fine-tuned to produce stronger attack candidates, guided by uncertainty-based refinement. Our MultiBreak includes 10,389 multi-turn adversarial prompts, spans 2,665 distinct harmful intents, and covers the most diverse set of topics to date. Empirical evaluation shows that our benchmark achieves up to a 54.0 and 34.6 higher attack success rate (ASR)} than the second-best dataset on DeepSeek-R1-7B and GPT-4.1-mini, respectively. More importantly, safety evaluations suggest that diverse attack categories uncover fine-grained LLM vulnerabilities}, and categories that appear benign under single-turn can exhibit substantially higher adversarial effectiveness in multi-turn scenarios. These findings highlight persistent vulnerabilities of LLMs under realistic adversarial settings and establish MultiBreak as a scalable resource for advancing LLM safety.

Xiaochen Wang, Heming Xia, Jialin Song et al. · pku

Large Multimodal Models (LMMs) have achieved remarkable success across various visual-language tasks. However, existing benchmarks predominantly focus on single-image understanding, leaving the analysis of image sequences largely unexplored. To address this limitation, we introduce StripCipher, a comprehensive benchmark designed to evaluate capabilities of LMMs to comprehend and reason over sequential images. StripCipher comprises a human-annotated dataset and three challenging subtasks: visual narrative comprehension, contextual frame prediction, and temporal narrative reordering. Our evaluation of 16 state-of-the-art LMMs, including GPT-4o and Qwen2.5VL, reveals a significant performance gap compared to human capabilities, particularly in tasks that require reordering shuffled sequential images. For instance, GPT-4o achieves only 23.93% accuracy in the reordering subtask, which is 56.07% lower than human performance. Further quantitative analysis discuss several factors, such as input format of images, affecting the performance of LLMs in sequential understanding, underscoring the fundamental challenges that remain in the development of LMMs.

Jialin Song, Yingheng Tang, Pu Ren et al.

Simulating hybrid magnonic quantum systems remains a challenge due to the large disparity between the timescales of the two systems. We present a massively parallel GPU-based simulation framework that enables fully coupled, large-scale modeling of on-chip magnon-photon circuits. Our approach resolves the dynamic interaction between ferromagnetic and electromagnetic fields with high spatiotemporal fidelity. To accelerate design workflows, we develop a physics-informed machine learning surrogate trained on the simulation data, reducing computational cost while maintaining accuracy. This combined approach reveals real-time energy exchange dynamics and reproduces key phenomena such as anti-crossing behavior and the suppression of ferromagnetic resonance under strong electromagnetic fields. By addressing the multiscale and multiphysics challenges in magnon-photon modeling, our framework enables scalable simulation and rapid prototyping of next-generation quantum and spintronic devices.

Yuqiu Liu, Jialin Song, Manolis Savva et al.

We propose a pipeline to extract and reconstruct dynamic 3D smoke assets from a single in-the-wild video, and further integrate interactive simulation for smoke design and editing. Recent developments in 3D vision have significantly improved reconstructing and rendering fluid dynamics, supporting realistic and temporally consistent view synthesis. However, current fluid reconstructions rely heavily on carefully controlled clean lab environments, whereas real-world videos captured in the wild are largely underexplored. We pinpoint three key challenges of reconstructing smoke in real-world videos and design targeted techniques, including smoke extraction with background removal, initialization of smoke particles and camera poses, and inferring multi-view videos. Our method not only outperforms previous reconstruction and generation methods with high-quality smoke reconstructions (+2.22 average PSNR on wild videos), but also enables diverse and realistic editing of fluid dynamics by simulating our smoke assets. We provide our models, data, and 4D smoke assets at [https://autumnyq.github.io/WildSmoke](https://autumnyq.github.io/WildSmoke).

Jialin Song, Aidan Swope, Robert Kirby et al.

Automatically designing fast and space-efficient digital circuits is challenging because circuits are discrete, must exactly implement the desired logic, and are costly to simulate. We address these challenges with CircuitVAE, a search algorithm that embeds computation graphs in a continuous space and optimizes a learned surrogate of physical simulation by gradient descent. By carefully controlling overfitting of the simulation surrogate and ensuring diverse exploration, our algorithm is highly sample-efficient, yet gracefully scales to large problem instances and high sample budgets. We test CircuitVAE by designing binary adders across a large range of sizes, IO timing constraints, and sample budgets. Our method excels at designing large circuits, where other algorithms struggle: compared to reinforcement learning and genetic algorithms, CircuitVAE typically finds 64-bit adders which are smaller and faster using less than half the sample budget. We also find CircuitVAE can design state-of-the-art adders in a real-world chip, demonstrating that our method can outperform commercial tools in a realistic setting.

Aaron Ferber, Jialin Song, Bistra Dilkina et al.

We propose a machine learning approach for quickly solving Mixed Integer Programs (MIP) by learning to prioritize a set of decision variables, which we call pseudo-backdoors, for branching that results in faster solution times. Learning-based approaches have seen success in the area of solving combinatorial optimization problems by being able to flexibly leverage common structures in a given distribution of problems. Our approach takes inspiration from the concept of strong backdoors, which corresponds to a small set of variables such that only branching on these variables yields an optimal integral solution and a proof of optimality. Our notion of pseudo-backdoors corresponds to a small set of variables such that only branching on them leads to faster solve time (which can be solver dependent). A key advantage of pseudo-backdoors over strong backdoors is that they are much amenable to data-driven identification or prediction. Our proposed method learns to estimate the solver performance of a proposed pseudo-backdoor, using a labeled dataset collected on a set of training MIP instances. This model can then be used to identify high-quality pseudo-backdoors on new MIP instances from the same distribution. We evaluate our method on the generalized independent set problems and find that our approach can efficiently identify high-quality pseudo-backdoors. In addition, we compare our learned approach against Gurobi, a state-of-the-art MIP solver, demonstrating that our method can be used to improve solver performance.

Neil Abcouwer, Shreyansh Daftry, Siddarth Venkatraman et al.

Enhanced AutoNav (ENav), the baseline surface navigation software for NASA's Perseverance rover, sorts a list of candidate paths for the rover to traverse, then uses the Approximate Clearance Evaluation (ACE) algorithm to evaluate whether the most highly ranked paths are safe. ACE is crucial for maintaining the safety of the rover, but is computationally expensive. If the most promising candidates in the list of paths are all found to be infeasible, ENav must continue to search the list and run time-consuming ACE evaluations until a feasible path is found. In this paper, we present two heuristics that, given a terrain heightmap around the rover, produce cost estimates that more effectively rank the candidate paths before ACE evaluation. The first heuristic uses Sobel operators and convolution to incorporate the cost of traversing high-gradient terrain. The second heuristic uses a machine learning (ML) model to predict areas that will be deemed untraversable by ACE. We used physics simulations to collect training data for the ML model and to run Monte Carlo trials to quantify navigation performance across a variety of terrains with various slopes and rock distributions. Compared to ENav's baseline performance, integrating the heuristics can lead to a significant reduction in ACE evaluations and average computation time per planning cycle, increase path efficiency, and maintain or improve the rate of successful traverses. This strategy of targeting specific bottlenecks with ML while maintaining the original ACE safety checks provides an example of how ML can be infused into planetary science missions and other safety-critical software.

Jialin Song, Ravi Lanka, Yisong Yue et al.

This paper studies a strategy for data-driven algorithm design for large-scale combinatorial optimization problems that can leverage existing state-of-the-art solvers in general purpose ways. The goal is to arrive at new approaches that can reliably outperform existing solvers in wall-clock time. We focus on solving integer programs, and ground our approach in the large neighborhood search (LNS) paradigm, which iteratively chooses a subset of variables to optimize while leaving the remainder fixed. The appeal of LNS is that it can easily use any existing solver as a subroutine, and thus can inherit the benefits of carefully engineered heuristic or complete approaches and their software implementations. We show that one can learn a good neighborhood selector using imitation and reinforcement learning techniques. Through an extensive empirical validation in bounded-time optimization, we demonstrate that our LNS framework can significantly outperform compared to state-of-the-art commercial solvers such as Gurobi.

Jialin Song, Ravi Lanka, Yisong Yue et al.

We study the problem of learning sequential decision-making policies in settings with multiple state-action representations. Such settings naturally arise in many domains, such as planning (e.g., multiple integer programming formulations) and various combinatorial optimization problems (e.g., those with both integer programming and graph-based formulations). Inspired by the classical co-training framework for classification, we study the problem of co-training for policy learning. We present sufficient conditions under which learning from two views can improve upon learning from a single view alone. Motivated by these theoretical insights, we present a meta-algorithm for co-training for sequential decision making. Our framework is compatible with both reinforcement learning and imitation learning. We validate the effectiveness of our approach across a wide range of tasks, including discrete/continuous control and combinatorial optimization.

Jialin Song, Yury S. Tokpanov, Yuxin Chen et al.

We apply numerical methods in combination with finite-difference-time-domain (FDTD) simulations to optimize transmission properties of plasmonic mirror color filters using a multi-objective figure of merit over a five-dimensional parameter space by utilizing novel multi-fidelity Gaussian processes approach. We compare these results with conventional derivative-free global search algorithms, such as (single-fidelity) Gaussian Processes optimization scheme, and Particle Swarm Optimization---a commonly used method in nanophotonics community, which is implemented in Lumerical commercial photonics software. We demonstrate the performance of various numerical optimization approaches on several pre-collected real-world datasets and show that by properly trading off expensive information sources with cheap simulations, one can more effectively optimize the transmission properties with a fixed budget.

Jialin Song, Yuxin Chen, Yisong Yue

How can we efficiently gather information to optimize an unknown function, when presented with multiple, mutually dependent information sources with different costs? For example, when optimizing a robotic system, intelligently trading off computer simulations and real robot testings can lead to significant savings. Existing methods, such as multi-fidelity GP-UCB or Entropy Search-based approaches, either make simplistic assumptions on the interaction among different fidelities or use simple heuristics that lack theoretical guarantees. In this paper, we study multi-fidelity Bayesian optimization with complex structural dependencies among multiple outputs, and propose MF-MI-Greedy, a principled algorithmic framework for addressing this problem. In particular, we model different fidelities using additive Gaussian processes based on shared latent structures with the target function. Then we use cost-sensitive mutual information gain for efficient Bayesian global optimization. We propose a simple notion of regret which incorporates the cost of different fidelities, and prove that MF-MI-Greedy achieves low regret. We demonstrate the strong empirical performance of our algorithm on both synthetic and real-world datasets.

Jialin Song, Ravi Lanka, Albert Zhao et al.

We study the problem of learning a good search policy for combinatorial search spaces. We propose retrospective imitation learning, which, after initial training by an expert, improves itself by learning from \textit{retrospective inspections} of its own roll-outs. That is, when the policy eventually reaches a feasible solution in a combinatorial search tree after making mistakes and backtracks, it retrospectively constructs an improved search trace to the solution by removing backtracks, which is then used to further train the policy. A key feature of our approach is that it can iteratively scale up, or transfer, to larger problem sizes than those solved by the initial expert demonstrations, thus dramatically expanding its applicability beyond that of conventional imitation learning. We showcase the effectiveness of our approach on a range of tasks, including synthetic maze solving and combinatorial problems expressed as integer programs.

Curtis Hawthorne, Erich Elsen, Jialin Song et al.

We advance the state of the art in polyphonic piano music transcription by using a deep convolutional and recurrent neural network which is trained to jointly predict onsets and frames. Our model predicts pitch onset events and then uses those predictions to condition framewise pitch predictions. During inference, we restrict the predictions from the framewise detector by not allowing a new note to start unless the onset detector also agrees that an onset for that pitch is present in the frame. We focus on improving onsets and offsets together instead of either in isolation as we believe this correlates better with human musical perception. Our approach results in over a 100% relative improvement in note F1 score (with offsets) on the MAPS dataset. Furthermore, we extend the model to predict relative velocities of normalized audio which results in more natural-sounding transcriptions.